nicol ás alejandro barnafi wittwer Mathematical models and numerical methods for cardiac poromechanics M AT H E M AT I C A L M O D E L S A N D N U M E R I C A L M E T H O D S F O R CARDIAC POROMECHANICS nicol ás alejandro barnafi wittwer January 2021 Advisor: Alfio Maria Quarteroni Tutor: Luca Dede’ Paolo Zunino Chair of the Doctoral Programe: Irene Sabadini Nicolás Alejandro Barnafi Wittwer: Mathematical models and numerical methods for cardiac poromechanics, © January 2021 ABSTRACT Cardiac perfusion describes the heart’s blood supply, which arrives through a complex network of vessels that surround it, known as coronary vessels. The mathematical modeling of this process involves the solution of complex multi-physics problems, which considers on one side the coronary vessels and on the other side the heart tissue, which is divided into the tissue itself and the porous structure induced by the ramifications of the vessels. This composition motivates the use of poromechanics models for its accurate approximation. This thesis serves two goals. The first one is the creation of an adequate framework for the development of efficient numerical methods for the poromechanics problem; the second one is the construction of an efficient numerical strategy which embeds cardiac perfusion into a coupled full-heart simulation. We focus first on the analysis of a linearized problem, at both continuous and discrete levels. Its study reveals a saddle point structure in which the incompressibility constraint consists in a sum of the velocity of both fluid and solid phases, weighted by the material porosities. We show that the use of a TaylorHood type of finite elements is inf-sup stable. After this, we develop splitting schemes for the linearized problem, for which we adapt classic splitting schemes from Biot’s consolidation model and provide the corresponding convergence analysis. For the perfusion model, we consider the coronary vessels as a network of 0D elements, where we extend the existing lumped models to allow them to handle arbitrary combinations of boundary conditions and study its numerical properties. Poromechanics models strongly depend on constitutive modeling. In this respect, we present a novel decomposition of the energy, which takes the form of a barrier function for the porosity. Then, we present a comprehensive comparison of nonlinear solvers for the poromechanics problem under consideration. Finally, we propose solving the coupled perfusion problem through a fixed point scheme, and test our methods on the realistic ventricle geometry provided by Zygote by decoupling model governing the mechanical deformation of the heart. Through our work, we give guidelines for efficient and robust strategies for the numerical approximation of linear poromechanics, as well as provide promising preliminary results for the nonlinear scenario. We then propose a novel poromechanics modeling framework which is able to reproduce physiological conditions of a healthy heartbeat, vii 1 and thus presents a powerful tool for the efficient creation of in-silico models. SOMMARIO La perfusione cardiaca descrive l’afflusso di sangue del cuore, il cui arriva attraverso una complessa rete di vaso che lo circondano, conosciuta come vasi coronarici. La modellistica matematica di questo fenomeno coinvolge la soluzione di complessi fenomeni multi-fisici, che considerano da un lato i vasi, e dall’altro il tessuto cardiaco. Esso viene diviso a sua volta nel tessuto stesso e nella struttura porosa indotta dalle ramificazioni dei vasi. Questa composizione è la principale motivazione per l’utilizzo di modelli poromeccanici, che considerano il cuore come un continuo in cui coessistono muscolo e sangue. Questa tesi ha due obbiettivi. Il primo è quello di costruire un marco teorico adeguato per lo sviluppo di solutori efficenti per il problema poromeccanico; il secondo è la costruzione d’una strategia numerica che permetta l’integrazione della perfusione cardiaca in un modello di cuore completo. Ci focalizziamo nell’analisi d’un problema linearizzato sia a livello continuo che discreto. Questo studio rivela un’interessante struttura di punto sella, in cui il vincolo di incomprimibilità consiste nella somma delle velocità fluida e solida, pesate per la porosità del materiale, e mostriamo che l’utilizzo di spazi di elementi finiti di tipo Taylor-Hood garantiscono la stabilità inf-sup di questo modello. Dopo questo, sviluppiamo schemi di disaccoppiamento per il problema linearizzato, per cui adattiamo gli schemi fixed-stress e undrained ampiamente usati per la soluzione del modello di consolidazione di Biot e dimostriamo che, cosı̀ come in Biot, sono incondizionatamente convergenti. Per quanto riguarda il modello di perfusione, consideriamo i vasi coronarici come una rete di elementi 0D, dove estendiamo la teoria classica di modelli di Navier-Stokes ridotti per renderli flessibili nel utilizzo di diverse condizioni di bordo, e poi studiamo le loro proprietà numeriche. I modelli poromeccanici dipendono fortemente della modellistica costitutive, per cui presentiamo una nuova decomposizione del energia, che ha la forma d’una funzione di barriera per la porosità. Poi, presentiamo uno studio comparativo di solutori nonlineari per il problema poromeccanico considerato. Finalmente, proponiamo risolvere il problema accoppiato tramite uno schema di punto fisso, e proviamo i nostri metodi nella geometria realistica di ventricolo fornita da Zygote. Un’ipotesi fondamentale è quella di disaccoppiare la meccanica, che permette di calcolare la deformazione in una prima fase, e poi utilizzare essa per le simulazioni di perfusione. viii Con il nostro lavoro, forniamo delle guide per strategie efficienti e robuste per l’approssimazione numerica della poromecanica lineare, e anche mettiamo a disposizione promettenti risultati per lo studio di metodi Quasi-Newton per la poromeccanica nonlineare. Provvediamo pure un modello nuovo di poromeccanica, sia a livello di circolazione periferica che a livello del tessuto, che è in grado di riprodurre un battito cardiaco in condizioni fisiologica, e quindi è uno strumento potente per lo sviluppo di modelli in-silico. ix If I have seen further, it is by standing on the shoulders of Giants. Isaac Newton, some time ago. ACKNOWLEDGMENTS I cannot start describing this journey without thanking the people who made it possible. I thus heartfully thank Alfio for trusting in me to work in his group, it was harsh but nourishing, and I will forever admire his relentless work-drive. I really hope that one day I can at least grasp that sparkle, clarity and vision. Then, I would like to thank my two mentors: Thank you Luca for your kindness and honesty, these are indeed the pillars of the researcher I aspire to become. Also thank you Paolo for your guidance and loyalty: The foundations of what we have built are rock solid, and without your insight it would have been impossible to accomplish it. The pursue of scientific knowledge refers to the abnormal pleasure found in constant failure, and your area of expertise simply refers to where you prefer to fail more often. Mathematical modeling is a beautiful discipline, with such an immense world of things that can go wrong. It is indeed quite the fierce companion: You leave your office every day with error messages flying around you, merrily dancing an hymn to failure and doing so restlessly while you walk back home, while you cook, while you shower, while you eat. But then, there is this magical moment, when the truth you thought to have so long forsaken you appears. It is not so clear at first, but when you look back and close a little bit your eyes, you can see it. It is success, childishly playing with the sea of failure that surrounds you. It is that moment, that precise instant, which makes the entire journey worth its pain. All of the wasted hours banging your head against a wall now seem not so wasted after all, and instead reveal themselves as an investment; it all finally makes sense. Most fundamentally, it makes sense yet so gratefully, because you did not get there alone. It would have been otherwise impossible, and that realization itself is a precious treasure. When you look back on having done something right, there is so much to be thankful for, that it gets your head spinning. The final product in science is an article, but an entire page should be filled with the people who were actually involved in it. The ideas I had were inspired by those of others, countless beautiful hours were spent in front of an empty whiteboard, anxious to reveal the answers I was seeking, and even further: I actually had an office, there was an administrative team who kept things neatly running under the hood and I had a group of colleagues without which the burden of a PhD would have been unbearable. xi Allow me to further waste your time with precision. Thank you Eventimate (Laura & Anna) for your energy, Susanna for reminding me to fill that dreaded time sheet, Nancy for your shy smile and thank you so much Luca Paglieri for your warm company–most needed in these cold times–and your fantastic disposition for helping. You were the first soul to support me in Italy. I will be forever inspired by Marco Verani’s tender approach, which I believe to be the only possible way of achieving a brighter future, as well as the openness of Gianmaria Verzini. They did not follow my work, but I will nevertheless follow their teachings with great pride. I ever so deeply thank the fantastic colleagues I had. Sharing joy and despair with you was irreplaceable, and I promise you to cherish the beautiful memories we now share each one of the days I have left. In order: Martin, your warmth is the strongest. You strive for unity, very un-italianly, and kept us tight. You are humble and sensitive, I hope people could learn to be more like you. Silvia, my lonely beginning was not so lonely as it was graced by your empathy. You were my first italian teacher and I loved finding out about the shared joy for those silly images filled with text (yes, those). Anna, I appreciate so much the sensitivity you revealed, I would have never guessed. Do not lose your spark, it will take you far. Simone, you impersonate kindness and are a true friend. I trust you deeply, and thank your trust, honesty and so many great times. I will forever admire your temperance. Davide, thank you for your sympathy and sense of justice. People are political, don’t let anyone reject that with frivolity. Roberto, I thought that I would never get close to the language I used back home, but you showed me otherwise. You are right, sometimes things are better said than not. Ste, hidden behind your Milan persona resides a huge heart. You were there when I was alone and in dire need of a pair of ears and a beer to detoxify. I am sure I helped you do so as well, and hope we do so for much longer. Trust yourself, you are a fantastic woman. Nicola, inside of you resides a strong and resilient man which I admire, thank you for that year next to me, you were great company. Albi, your shyness made it an adventure to get to know you, and now I know how cheerful and enjoyable you are (and what an incredible sense of humor you have). I thank you for your company those Saturdays, it was never just a coffee. Yves, we share so much, and you are probably the only one who truly understands my situation in this land. Your advice is hard to get out of you, but very precious. It is fine to be weak, those wounds make us stronger and wiser. Bubba, you were an outlander in this city, your attitude was golden and your departure very much too early. Your memory is good company, but it will never be as good as the one you gave. Luca, your wisdom is flabbergasting (finally used it), and despite your brilliance you always had time for whiteboard and coffee. I hope I can be a little more like you in whatever this life awaits. Luda, I find xii your honesty beautiful, and your conviction very powerful. No one can stop you, only yourself. Thanks for that concert, it was amazing. Giulia, you know how we met, it was so intense! I admire your rocksolid determination, and I really hope that whenever you write some code you think about me. Giorgio, you are probably the funniest person in Italy, please don’t stop sharing that light with your dear ones. At least I really appreciated it. Symo, you are such a fantastic person. I know you won’t agree, but please at least trust me on this one. You are a great friend and colleague, and somehow we pulled through those last months of suffering together. Fra, your diligence is a force of nature which I admire, so delicate and polite. Michele, your silent approach doesn’t do justice to you, you are dependable and great company, besides being easy-going and a great programmer. Thank you for helping me code, I probably wouldn’t have finished without your advice. Eleonora, thank you for all your brutal but equally wise words. I admire your wit, which you carry weightlessly. Elena, it this hard times, knowing you was very enriching. You are a great person, and your company in otherwise dull evenings made this pandemic bearable. Thank you for sharing such overwhelming kindness. Chiara M, thank you for sharing your blinding light with me, you wouldn’t know but it was fundamental in dark times, and it came out so naturally. Chiara F, thank you for always being there to share a special moment in the most varied scenarios imaginable: Music, coffee and plants. You company was, and is, invaluable. Matteo, you always made time that we could lose together, you feel so strongly and don’t show it. Please do, let others enjoy you as much as I did. Edo, we think so differently and hang out so well. Playing with you was a great pleasure, but sharing with you even more so. Trump is gone, don’t be sad. No one is :). Post docs: Ivan, I unendingly thank you for cherishing company, discussing maths with you was always a pleasure, but equally so was sharing life experiences while teamed with a glass of beer. Marco, you might not even remember, but yours was one of the small impulses that actually gave me strength to push forward. Thank you for your faith, it paid out great. Stefano, thank you for your eternal comfort regarding our situation in the lab. Your shared human experience was very much fundamental to end those three years, thank you. Pasq, you are last on purpose, keep the best for last: I will forever hold dear your friendship, loyalty and trust. Thank you for sharing so much, I found in you someone in which I could see myself. To the generation sfigata: Against all odds, we made it! Nothing can stop us now. To MOXeca: You were vital in my PhD journey, thank you so much! To Tender: Thank you for always receiving me, you were greart company. A special nomination, even though they will never get to read this, to the fantastic Matthias and Rukye. You were very special friends in my PhD, and I really hope we can meet again one xiii day. I also want to thank my chilean colleagues, Daniel, Gabriel and Ricardo; with them I have experienced what I believe science should be, and shall it still be in whatever comes! I thank my family, I have been–as almost every family member on earth probably–very ungrateful for their loyalty, but I have always kept it in great treasure. You are always there, and although I try my best not to, I always count on you. Thank you very much, I love you. Dani, I will never thank you enough. Without you I would be lost; you are my radar and compass; my candle in the dark and my bright life partner in the light. I will always thank you for your energy, your company and your overwhelming common sense. Without you I would have never arrived so far, and maybe I would have never even strived for it. You motivate me to be the best version of myself, and I owe you my life for it. I thank you for your enormous sacrifice, for every hug, every kiss, every smile and every tear. For everything, I love you. This was an absolute life changing experience, in every possible sense. I cannot stress this enough as I, three years ago, would have never imagined the problems that have arrived lately... like seriously, a pandemic? The beginning of an academic career is already heavy, and these many things got me flirting with depression ever so closely. To you who are reading this, never reject a beer on Friday. You will not remember how hard you worked, but instead how happy you were. You will not remember the nights you didn’t sleep for a deadline, but instead your sleep deprived self will linger forever, for well accompanied nights do not go away. I close this chapter, and whatever comes, let it do so. I am ready. xiv CONTENTS sommario viii introduction 1 2.1 Context and state of the art . . . . . . . . . . . . . . . . 1 2.2 Anatomy of the heart . . . . . . . . . . . . . . . . . . . . 3 2.3 Software and geometry . . . . . . . . . . . . . . . . . . . 6 2.4 Poroelasticity . . . . . . . . . . . . . . . . . . . . . . . . 8 2.4.1 Governing equations . . . . . . . . . . . . . . . . 13 2.5 Our contributions . . . . . . . . . . . . . . . . . . . . . . 15 2.6 Fundamental notions, definitions and notation . . . . . 18 3 linearized poromechanics 21 3.1 The linearized poromechanics model . . . . . . . . . . 21 3.1.1 Newton solver and the tangent model . . . . . . 22 3.1.2 Variational formulation . . . . . . . . . . . . . . 25 3.2 Analysis of the semi-discrete problem . . . . . . . . . . 27 3.2.1 Existence and uniqueness . . . . . . . . . . . . . 29 3.2.2 Stability analysis of the semi-discrete problem . 32 3.3 Analysis of the continuous problem . . . . . . . . . . . 36 3.4 Error analysis of a fully discrete formulation . . . . . . 41 3.4.1 Numerical tests . . . . . . . . . . . . . . . . . . . 49 3.5 The inf-sup condition . . . . . . . . . . . . . . . . . . . . 49 3.5.1 The weighted inf-sup condition . . . . . . . . . 50 3.5.2 The inf-sup condition for the poromechanics problem . . . . . . . . . . . . . . . . . . . . . . . . . . 58 3.5.3 Computation of the inf-sup constant . . . . . . . 59 3.6 Numerical tests . . . . . . . . . . . . . . . . . . . . . . . 61 3.6.1 Swelling test . . . . . . . . . . . . . . . . . . . . . 61 3.6.2 Inf-sup stability test . . . . . . . . . . . . . . . . 63 3.6.3 Contraction of an idealized model of left ventricle 63 3.7 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . 65 4 iterative schemes for poromechanics 67 4.1 Numerical approximation of the linearized problem . . 68 4.2 The undrained splitting scheme . . . . . . . . . . . . . . 72 4.2.1 Problem formulation as convex minimization . 72 4.2.2 Robust splitting via alternating minimization . 73 4.3 A diagonally stabilized splitting scheme . . . . . . . . . 75 4.3.1 Two-way splitting scheme . . . . . . . . . . . . . 75 4.3.2 Three-way splitting scheme . . . . . . . . . . . . 76 4.4 Convergence Analysis . . . . . . . . . . . . . . . . . . . 80 4.4.1 Convergence analysis of the undrained split . . 80 4.4.2 Convergence analysis of diagonal split . . . . . 85 4.5 Numerical tests . . . . . . . . . . . . . . . . . . . . . . . 93 4.5.1 Anderson acceleration . . . . . . . . . . . . . . . 95 1 2 xv xvi contents Undrained split sensitivity analysis . . . . . . . 96 Parameter study for diagonal split . . . . . . . . 97 Schemes comparison . . . . . . . . . . . . . . . . 104 Comparison of splitting versus monolithic approaches . . . . . . . . . . . . . . . . . . . . . . . 106 4.6 Iterative schemes for Cardiac Poromechanics . . . . . . 107 4.7 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . 111 5 numerical solvers for cardiac perfusion 115 5.1 Mathematical modeling of the epicardial coronary vessels117 5.1.1 Numerical tests . . . . . . . . . . . . . . . . . . . 120 5.2 Mathematical model for myocardial poromechanics . . 123 5.2.1 Mathematical properties of the model . . . . . . 127 5.2.2 Constitutive modeling . . . . . . . . . . . . . . . 128 5.2.3 Constitutive model for cardiac perfusion . . . . 132 5.2.4 Numerical solvers comparison . . . . . . . . . . 134 5.3 Coupled perfusion problem . . . . . . . . . . . . . . . . 140 5.4 The one-way coupling strategy . . . . . . . . . . . . . . 143 5.5 Numerical tests . . . . . . . . . . . . . . . . . . . . . . . 144 5.5.1 Numerical tests with a Bernoulli 0D coronary flow . . . . . . . . . . . . . . . . . . . . . . . . . . 146 5.5.2 Numerical tests with lumped coronary network 147 5.6 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . 151 6 conclusions 155 4.5.2 4.5.3 4.5.4 4.5.5 Appendix a saddle point problems b numerical methods for nonlinear problems c convergence of nonlinear model 159 161 163 165 bibliography 171 LIST OF FIGURES Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 Figure 8 Figure 9 Figure 10 Figure 11 Figure 12 Figure 13 Figure 14 Figure 15 Anterior view of the heart. Images by Blausen Medical Communications, Inc. under Creative Commons license. . . . . . . . . . . . . . . . . . 7 Wiggers diagram (a) in its classical representation [107] and (b) with the coronaries in red [117]. . . . . . . . . . . . . . . . . . . . . . . . . 7 Left ventricle geometries used in this work. . . 9 Representation of porous media in poromechanics. . . . . . . . . . . . . . . . . . . . . . . . . . . 9 Comparison of the pressure in a swelling test at T = 1.5. First row on a solid dominant regime (φ = 10−8 ), second row on a mixed regime (φ = 0.5) and third row on a fluid dominant regime (φ = 1 − 10−4 ). All tests are performed with P1 elements for the pressure. See Section 3.6.1 for a detailed description of the test case. 51 Inf-sup constant β with respect to the porosity. Images (a), (b), (c) and (d) have all parameters set to 1, instead (e) and (f) use a realistic parameters. The code Pa − Pb on the plots stands for a fluid-solid-pressure discretization with elements Pa − Pb − P1 . . . . . . . . . . . 62 (a) Boundary conditions for the swelling test, (b) results at time t = 1. . . . . . . . . . . . . . 63 Pressure of inf-sup test for all combinations of fluid/displacement finite element spaces. . . . 64 Results of the (nonlinear) left ventricle test simulation. The top row shows the deformed geometry, pressure represented by colors, fluid velocity by arrows. The bottom row shows the deformed geometry from above so as to observe the twisting due to the fibers. . . . . . . 65 Swelling test at time t = 1s. . . . . . . . . . . . 94 Footing test at time t = 0.5s. . . . . . . . . . . . 94 Perfusion test at time t = 1s. . . . . . . . . . . . 95 Representation of multi-compartment model from [60]. . . . . . . . . . . . . . . . . . . . . . . . . . 116 Example network. . . . . . . . . . . . . . . . . . 119 Evolution of the flow in first segment during steady state iterations. . . . . . . . . . . . . . . 123 xvii xviii List of Figures Figure 16 Figure 17 Figure 18 Figure 19 Figure 20 Figure 21 Figure 22 Figure 23 Figure 24 Figure 25 Figure 26 Figure 27 Figure 28 Figure 29 Figure 30 Figure 31 Figure 32 Figure 33 Figure 34 Figure 35 Flow Q = αQd + (1 − α)Qp for stationary dynamic of conditioning test. . . . . . . . . . . . . 124 Distal pressure for stationary dynamic of conditioning test. . . . . . . . . . . . . . . . . . . . 124 Proximal pressure for stationary dynamic of conditioning test. . . . . . . . . . . . . . . . . . 125 Representation of pressure interaction between compartments for the new combined constitutive law. . . . . . . . . . . . . . . . . . . . . . . . 131 Test 1: Evolution of average added mass. . . . 134 Test 2: Evolution of the area in the nonlinear swelling test for κs in {102 , 103 , 105 }. . . . . . . 135 Test 2: Evolution of the area in the nonlinear swelling test for κs in {102 , 103 , 105 }. . . . . . . 136 Wall time for 0.001 s of simulation with κs = 102 .140 Wall time for 0.001 s of simulation with κs = 104 .141 Perfusion regions induced by Zygote coronaries.142 Diagram of interactions in the fully coupled perfusion model. . . . . . . . . . . . . . . . . . 144 Output of the left ventricle displacement used for the one-way coupling. (a) PV-loop and (b) aortic pressure. Initial configuration considered at the end of diastole, depicted with light blue dot in (a). . . . . . . . . . . . . . . . . . . . . . . 145 Diagram of interactions in the one-way coupled perfusion model. . . . . . . . . . . . . . . 145 Evolution of average (a) pressure and (b) added mass in both arteries and capillaries in the Bernoulli perfusion test. . . . . . . . . . . . . . . . . . . . 147 Added mass evolution during third heartbeat in the first compartment (arteries) of Bernoulli coronaries test. . . . . . . . . . . . . . . . . . . . 148 Added mass evolution during third heartbeat in the second compartment (capillaries) of Bernoulli coronaries test. . . . . . . . . . . . . . . . . . . . 148 Total added mass evolution during third heartbeat of Bernoulli coronaries test. . . . . . . . . 148 Left coronary tree model reduction. Inlet and outlet segments denoted with ’i’ and ’o’ respectively. . . . . . . . . . . . . . . . . . . . . . 151 Right coronary tree model reduction. Inlet and outlet segments denoted with ’i’ and ’o’ respectively. . . . . . . . . . . . . . . . . . . . . . 152 Evolution of average (a) pressure and (b) added mass in both arteries and capillaries in the network perfusion test. . . . . . . . . . . . . . . . . 152 Figure 36 Figure 37 Figure 38 Figure 39 Figure 40 Figure 41 Figure 42 Figure 43 Figure 44 Figure 45 Figure 46 Figure 47 Added mass evolution during third heartbeat in the first compartment (arteries) of network coronaries test. . . . . . . . . . . . . . . . . . . . 153 Added mass evolution during third heartbeat in the second compartment (capillaries) of network coronaries test. . . . . . . . . . . . . . . . 153 Total added mass evolution during third heartbeat of network coronaries test. . . . . . . . . . 153 Blood flow in the right and left coronary arteries during a heartbeat. . . . . . . . . . . . . . . 154 Convergence in space for implicit monolithic formulation. . . . . . . . . . . . . . . . . . . . . 166 Convergence in space for semi-implicit monolithic formulation. . . . . . . . . . . . . . . . . . 166 Convergence in space for implicit fixed point formulation. . . . . . . . . . . . . . . . . . . . . 167 Convergence in space for semi-implicit fixed point formulation. . . . . . . . . . . . . . . . . . 167 Convergence in time for implicit monolithic formulation. . . . . . . . . . . . . . . . . . . . . 168 Convergence in time for semi-implicit monolithic formulation. . . . . . . . . . . . . . . . . . 168 Convergence in time for implicit fixed point formulation. . . . . . . . . . . . . . . . . . . . . 169 Convergence in time for semi-implicit fixed point formulation. . . . . . . . . . . . . . . . . . . . . 169 L I S T O F TA B L E S Table 1 Table 2 Table 3 Table 4 Errors and convergence rates for problem (38) with T = 1 and ∆t = 10−4 ; dofs stands for degrees of freedom. . . . . . . . . . . . . . . . . 50 Errors convergence rates for problem (38) for a fixed structured mesh with 70 elements per side yielding 124 327 dofs. . . . . . . . . . . . . 52 Iteration count for Bratu’s problem solved with a fixed point algorithm together with Anderson acceleration. . . . . . . . . . . . . . . . . . . 96 Undrained split sensitivity analysis: Average iteration count for varying (a) Bulk modulus (b) Permeability and (c) Porosity. Non-convergence denoted with –. . . . . . . . . . . . . . . . . . . 97 xix xx List of Tables Table 5 Table 6 Table 7 Table 8 Table 9 Table 10 Table 11 Table 12 Table 13 Table 14 Table 15 Table 16 Considered stabilizations in the context of diagonally stabilized splits. . . . . . . . . . . . . 98 P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying κs in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . . . 99 P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying kf in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . . . 99 P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying ρs = ρf in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . 100 P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying Kdr in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . . . 100 P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for different accelerations in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . 101 P1 − P2 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying κs in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . . . 101 P1 − P2 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying kf in the swelling test. Non-convergence denoted by – (more than 500 iterations in this case).102 P1 − P2 − P1 elements: Average iteration count of the fixed-stress based solvers for different accelerations in the swelling test for kf = 10−9 . Non-convergence denoted by –. . . . . . . . . . 102 P1 − P2 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying Kdr in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . . . 103 3 way version of diagonal split with P1 − P2 − P1 elements: Average iteration count for varying κs in the swelling test. Non-convergence denoted by –. . . . . . . . . . . . . . . . . . . . 104 Three way version of diagonal stabilized split with P1 − P2 − P1 elements: Average iteration count for varying kf in the swelling test. Nonconvergence denoted by – after 500 iterations. 104 List of Tables Table 17 Table 18 Table 19 Table 20 Table 21 Table 22 Table 23 Table 24 Table 25 Table 26 Table 27 Iteration count for all tested scenarios in the swelling test. . . . . . . . . . . . . . . . . . . . . 105 Iteration count for all tested scenarios in the footing test. . . . . . . . . . . . . . . . . . . . . 106 Iteration count for all tested scenarios in the perfusion test. . . . . . . . . . . . . . . . . . . . 106 Wall time [s] of the different approaches for increasing number of degrees of freedom. . . . 107 Average iteration count in 0.3 seconds of simulation with the displacement approximated by first order elements. . . . . . . . . . . . . . . . . 112 Average iteration count in 0.3 seconds of simulation with the displacement approximated by second order elements. . . . . . . . . . . . . . . 112 Parameters used for conditioning number test. 121 Conditioning number for the reduced NavierStokes models. . . . . . . . . . . . . . . . . . . . 122 Iteration required to achieve a stationary state with and without acceleration for different values of αs , equal in all segments. . . . . . . . . 123 Parameters used for the proposed multi-compartment constitutive law. . . . . . . . . . . . . . . . . . . 132 Modified vessel areas for Zygote coronaries. . 150 xxi 2 INTRODUCTION 2.1 context and state of the art The human heart is one of the most important organs in the body, if not the most. The reason is simple: Cells in our body require nutrients to survive which arrive through blood, and the heart is in charge of pumping blood through the body [121]. Cardiovascular related diseases represent the leading cause of death worldwide, which is one its main motors of research, where all new techniques must pass through clinical trials to verify their effectiveness. This is a very strong bottleneck in medicine, as techniques require a series of steps (conceptual validation, animal testing and human testing) before being approved for their commercial use. This has put in recent years mathematical models in the forefront of medical research, with concepts such as in silico trials [186] or digital twins [29] rapidly gaining interest. In silico trials stand for the possibility of performing clinical trials by means of computational models on virtual patients, which can be useful for identifying patients with better response to treatments and thus reduce the required number of human trials for approval [112]. In fact, it has already been shown that in some scenarios they can present higher accuracy than animal models [148]. Instead, the concept of digital twin refers to the possibility of having a digital representation of a patient, on which different treatments can be modeled to compare their outcomes [45]. Although both terms are not the same, they are conceptually very similar and give a similar message: Mathematical models are promoting significant changes in medicine practice. By using non-invasive measurements such as Magnetic Resonance Imaging (MRI) to obtain patient-specific data, it is nowadays possible to reproduce realistic cardiovascular simulations which provide useful tools in medical decision making [9, 77, 80, 113, 139, 144, 158] (see [136] for a review). The main focus of cardiac modeling has been historically in cardiac mechanics [8, 64, 82, 85, 87, 104, 140, 147, 170, 183] and electrophysiology [46, 137, 138, 142, 165, 166, 177], also more recently in their coupling [9, 67, 73, 79, 115, 127, 161]. As models have achieved certain maturity, other areas have been explored, such as the interaction with blood in the chambers [68, 79, 154, 175], ECG computation [28, 153] and cardiac perfusion, which refers to the blood supply of the heart tissue; it is the main topic of this manuscript. In general, perfusion pertains the passage of fluid through the circula- 1 2 introduction tory (or lymphatic) system to an organ or tissue, and is mainly used to refer to the delivery of blood to the capillaries of the tissue. For the sake of mathematical modeling, cardiac perfusion can be thought as having two interacting components: One is the coronary vessels, which carry blood from the aorta to the tissue and then to the venous system; the other one is the tissue itself. Coronary vessels can be modeled either in full 3D resolution [70, 108] or by means of reduced models, which can be either lumped (0D) [71, 95, 114, 133] or network flow based (1D) [17, 101, 116, 132]. The main advantage of 1D models with respect to 0D is the ability to capture wave phenomena, which are particularly important during contraction [88]. On the other hand, the modeling of the myocardium requires taking into account the presence of its microvasculature, which presents large variations of vessel scales in very complex network structures [94, 117, 122] and its interaction with the tissue. This has motivated the use of poroelastic models, consisting in a formal averaging of the fluid porous structure and the solid phase [192], which finally yields a continuum model governed by both fluid and solid laws [65]. The advantage of considering these models is that they allow for the modeling of highly heterogeneous and anisotropic fluid configurations, without the requirement of a deetailed geometric description of the single vessels; this would be otherwise computationally unfeasible, and have already been explored to study the interaction between contraction and blood flow in the myocardium [55, 60, 102, 171, 187, 188]. Of course, such averaging of the entire microvasculature can be an over-simplification, as it would consider a unique material identifying arterioles, capillares, and venules. This has motivated the use of multi-compartment formulations, in which different fluid resolution levels can be considered, again as coexisting phases in the heart. These models are then coupled by adequate interaction terms [65], and have already been applied to the study of cardiac perfusion [60, 70, 128]. Poromechanics more generally addresses the behavior of saturated porous media and in particular the interaction of mechanical deformations and flow through porous materials. Since its origin in the context of civil engineering [23–25, 178], it has been used for countless applications (see the review [66] and the references therein), and is most commonly known as Biot’s consolidation model. More recently, these models have captured the attention of researchers interested in the behavior of highly deformable soft biological tissues [81, 174, 195]; a prominent example of application in this area is the perfusion of the heart [54, 55, 134]. As these models were originally developed for civil applications, they were inadequate for biomechanics and especially for soft tissues undergoing large deformations [7, 10, 48, 196]. This called for more general formulations, arising from the fundamental principles of continuum mechanics and thermody- 2.2 anatomy of the heart namics. Thanks to their improved generality, such formulations are more flexible and applicable to a broader range of scenarios [56, 65]. These models inherit desirable physical features, such as energy conservation [49], that are reflected into their mathematical properties. However, the analysis of well-posedness, stability and approximation of such new generation of poromechanics models is still largely open. Although the numerical approximation of nonlinear poromechanics has not been adequately addressed yet, the numerical approximation of Biot’s equations is well understood. There are fundamentally two approaches for its solution, referred to as fully-implicit and iterative coupling strategies [168]. The fully-implicit consists in solving the fully coupled problem simultaneously, which provides the benefit of unconditional stability but requires advanced and efficient ad-hoc preconditioners [1, 92, 118, 151, 193]. Instead, the iterative coupling approach involves the sequential-implicit solution of flow and mechanics, iterating the procedure until convergence at each time step. In addition, it is equivalent to a preconditioned Richardson method [53], so it also provides a basis to design efficient block preconditioners to be used for the fully-implicit approach [194]. The most popular iterative schemes are the undrained splitting [197] and the fixed-stress splitting schemes [168], both shown to be unconditionally stable [37, 53, 129]. In particular, fixed-stress has been generalized to an L-scheme [159], and this framework has been successfully applied to the case of large deformations in [34]. The biggest downside of these methods is that they need stabilization coefficients for convergence, which can only be obtained through problem-specific analysis. To alleviate this, it has been shown in [38] that Anderson acceleration [189] greatly relaxes the requirement of optimal stabilization. 2.2 anatomy of the heart In this section we briefly present the relevant elements for the comprehension of cardiac perfusion, for which we closely follow the presentation in [90, 135, 179]. The heart is a muscular organ located in the thoracic cavity and rests on the diaphragm, near to the midline of the mediastinum. It is composed of three layers of tissue: i) Endocardium (thin layer of endothelium and connective tissue), ii) myocardium (cardiac muscle fibers) and iii) epicardium (visceral layer of the serous pericardium). The fibrous pericardium and the serous pericardium compose the pericardium. The myocardium is composed of three major types of cardiac muscle: i) Atrial muscle, ii) ventricular muscle, and iii) specialized excitatory and conductive muscle fibers. The first two work as a skeletal muscle, with a longer contraction duration, whereas the last one presents a weaker contraction due to the lower number of contractile fibers. In spite of this, the latter present an automatic rhythmical electrical discharge in the form of action 3 4 introduction potentials or conduction of the action potentials through the heart, providing an excitatory system that controls the rhythmical cardiac beating. The heart is understood as a two separate pumps, called right heart and left heart. These pumps are composed of: The atria and ventricles, which allow the entrance and ejection of the blood; the valves, which prevent the backflow (atrioventricular valves (AV) (tricuspid and mitral), and semilunar valves (aortic and pulmonary)) and the blood vessels (cava and pulmonar veins, aortic and pulmonary arteries), as in Figure 1 (a). During its function, the left ventricle contracts on a twisting mode. This happens because of its complex muscle fiber layers, which run in different directions: The subepicardial or outer layer and the subendocardial or inner layer spiral. Both spiral in opposite directions, which provokes a clockwise rotation of the apex of the heart and counterclockwise rotation of the base of the left ventricle. This causes a wringing motion of the left ventricle, pulling the base downward toward the apex during systole (contraction). At the end of systole, the left ventricle is similar to a loaded spring, which recoils (or untwists) during diastole (relaxation) to allow blood to enter the pumping chambers rapidly. In assessing the contractile properties of muscle, it is important to specify the degree of tension on the muscle when it begins to contract, called the preload, and to specify the load against which the muscle exerts its contractile force, called the afterload. For cardiac contraction, the preload is usually considered to be the end-diastolic pressure when the ventricle has become filled, and the afterload is the pressure in the aorta leading from the ventricle. The left heart allows the blood to circulate through the body within the systemic circulation, while the right heart allows for its oxygenation at the lungs through the pulmonary circulation. Both pumps are arranged in series, forming a closed circuit called the circulatory system, and are separated by the interatrial and interventricular septa, which prevent the oxygenated and deoxygenated blood from getting mixed. A cardiac cicle refers to all the events produced from the beginning of a heartbeat until the beginning of the next one, and can be divided into four phases: phase i: filling. This phase begins with a ventricular (inner) volume of about 50 ml, known as end-systolic volume, and a diastolic pressure of 2 to 3 mm Hg. As venous blood flows into the left ventricle from the left atrium, it allows the ventricular volume to increase to about 120 ml, called end-diastolic volume, and its pressure to about 5 to 7 mm Hg. This phase encompases approximately an 80% of the blood flow through the atria into the ventricles. 2.2 anatomy of the heart phase ii: isovolumic contraction. Immediately after ventricular contraction begins, the ventricular pressure rises abruptly, to equal the pressure in the aorta (about 80 mm Hg) causing the AV valves to close. Then, an additional 0.02 to 0.03 second is required for the ventricle to build up sufficient pressure to push the semilunar valves open against the pressures in the aorta and pulmonary artery. Therefore, during this period, contraction is occurring in the ventricles, but no emptying occurs. phase iii: period of ejection. Right after the isovolumic contraction, the ventricular pressures push the semilunar valves open and blood is ejected out of the ventricles into the aorta and pulmonary artery. Approximately 60% of the blood in the ventricles at the end of diastole is ejected during systole; nearly 70% of it flows out during the first third of the ejection period (rapid ejection), with the remaining 30% emptying during the next two thirds (slow ejection). The entry of blood into the arteries causes their walls to stretch and the pressure to increase to about 120 mm Hg. After the left ventricle stops ejecting blood and the aortic valve closes, the elastic walls of the arteries maintain a high pressure in the arteries, even during diastole. The aortic valve then closes, and pressure in the aorta decreases slowly throughout diastole because the blood stored in the distended elastic arteries flows continually through the peripheral vessels back to the veins. phase iv: isovolumic relaxation. At the end of systole, ventricular relaxation begins suddenly, allowing both the right and left intraventricular pressures to decrease rapidly. For another 0.03 to 0.06 second, the ventricular muscle continues to relax, even though the ventricular volume does not change, giving rise to the period of isovolumic relaxation. During this period, the intraventricular pressures rapidly decrease back to their low diastolic levels. Coronary anatomy The myocardium has its own network of blood vessels, known as the coronary circulation. The coronary arteries, shown in Figure 1 (b), branch from the coronary ostia, located in the ascending aorta, and encircle the heart. While the heart is contracting, little blood flows in the coronary arteries because they are squeezed shut. When the heart relaxes, however, the high pressure of blood in the aorta propels blood through the coronary arteries, which are divided into the right and left coronary arteries. From there it flows into the capillaries, and then into coronary veins. The left coronary artery (LCA) divides into the left anterior descending and circumflex branches. The left anterior descending (LAD) artery supplies oxygenated blood to the walls of both ventricles, and 5 6 introduction the circumflex branch distributes oxygenated blood to the walls of the left ventricle and left atrium. The right coronary artery (RCA) supplies small branches (atrial branches) to the right atrium. It continues below the right auricle and ultimately divides into the posterior interventricular and marginal branches. The posterior interventricular supplies the walls of the two ventricles with oxygenated blood, and the marginal branch delivers blood to the wall of the right ventricle. Most of the coronary venous blood flow from the myocardium drains into a large vascular sinus called the coronary sinus, which empties into the right atrium. Coronary blood flow Myocardial cell contraction and relaxation are aerobic processes that require oxygen. Determinants of myocardial oxygen demands include preload, afterload, heart rate, contractility, and basal metabolic rate. Systolic wall tension uses approximately 30% of myocardial oxygen demand. Through the coronary arteries, the heart receives approximately 5% of the cardiac output when the body is at rest, which amount to 250 mL/min. As there is minimal ability for the heart to increase oxygen extraction, increased metabolic demands of the heart are met primarily via increases in coronary blood flow. Coronary blood flow is primarily controlled by changes in resistance in the small arteries and arterioles in the tissue (microvasculature), which play an important role in myocardial perfusion in general. Flow in the left coronary artery has a greater diastolic predominance than the right coronary artery because the compressive forces of the right ventricle are lower than those of the left ventricle. In fact, at least 85% of coronary flow in the left anterior descending artery occurs in diastole, whereas right coronary artery blood flow is more or less equal in systole and diastole. Coronary blood flow is primarily controlled by release of local metabolites such as adenosine or nitric oxide, both vasodilators acting as control mechanisms during increased cardiac activity. Neural influences on coronary blood flow are relatively minor, and work by means of nervous stimulation, both direct (throguh organic chemicals such as acethylcoline and norepinephrine) and indirect (secondary responses to blood flow). Metabolic factors, especially myocardial oxygen consumption, are the major controllers of myocardial blood flow. Whenever the direct effects of nervous stimulation reduce coronary blood flow, the metabolic control of coronary flow usually overrides the direct coronary nervous effects within seconds. 2.3 software and geometry All simulations on this thesis are performed by means of the finite elements method [156]. For this, we consider two libraries: FEniCS [123], 2.3 software and geometry (a) Sectional anatomy of the heart. (b) Coronary circulation. Figure 1: Anterior view of the heart. Images by Blausen Medical Communications, Inc. under Creative Commons license. (a) (b) Figure 2: Wiggers diagram (a) in its classical representation [107] and (b) with the coronaries in red [117]. 7 8 introduction and lifex (not yet published), which is based in deal.II [12]. The former is a Python library with a very straightforward interface, which is ideal for prototyping. The latter instead is a C++ library, which gives better control over the solution process, and is indeed what we use for more demanding simulations. Another fundamental difference is that FEniCS uses tetrahedral elements, whereas lifex uses hexahedra 1 . For this reason, 3D simulations in FEniCS are performed in the polate ellipsoid shown in Figure 3 (a), and instead in lifex we use the realistic left ventricle (with epicardial coronaries) developed by the Zygote company2 , shown in Figure 3 (b). The Zygote company has in fact developed realistic 3D models of the entire human body, so that the geometry we use is actually a subset of the available full-heart geometry. Post-processing of 2D and 3D images is performed in Paraview [2], and instead for 1D we use the Python library Matplotlib [99]. All of the codes developed for this work are freely available in the following repositories: monolithic poromechanics. FEniCS based library containing the fully nonlinear poromechanics model developed by Chapelle & Moireau [56], its linearized formulation [50] and the simplified multiscale model developed by Cookson et al. [60]. It was used for all tests performed in Chapter 2, as well as the solver comparison and convergence tests from Chapter 4. Available in: https://bitbucket.org/nabarnaf/poromechanics/ iterative poromechanics. FEniCS based library containing iterative solvers for the linearized poromechanics problem [50]. It considers both undrained and diagonally stabilized splits developed in this thesis, with both Anderson and Aitken acceleration methods. It also considers the nonlinear poromechanics problem considered in Chapters 2 and 3. Available in: https://bitbucket.org/nabarnaf/poroelasticity iterative/ life x . Library for the simulation of the human heart developed within the iHeart project, used for generating the electromechanics simulations considered in Chapter 4, as well as all perfusion tests in the same chapter. To be released in: https://lifex.gitlab.io/lifex/ 2.4 poroelasticity In this section we present the basis of poromechanics models, for which we closely follow the presentation of [56]. Consider a reference domain Ω0 standing for the myocardium, which is deformed 1 This is a feature of the deal.II library. 2 Visit http://www.zygote.com. 2.4 poroelasticity (a) Prolate geometry. (b) Zygote geometry. Figure 3: Left ventricle geometries used in this work. Figure 4: Representation of porous media in poromechanics. at time t into Ω(t). Note that the initial configuration and the reference domains may differ, Ω0 6= Ω(0). Deformation is given by a map xt : Ω0 → Ω(t), and we use the standard notation that x = ys + X, so that x is a coordinate in current configuration, and ys is the displacement. We also define the strain tensor F = ∇X ys , its determinant ∂y J = det F and the velocity vs = ∂ts . Poromechanics is a mixture theory [40, 41], which means that the domain of interest sees coexistence of phases (see Figure 4). If we consider only one fluid type and a solid phase, we can formally define dΩt,fluid a pointwise fluid volume fraction as φ = dΩ named porosity, and t a solid one φs = 1 − φ referred to as solid volume fraction. Also, in what follows we consider subscripts f and s to indicate fluid and solid quantities. One crucial ingredient to device the governing equations of poromechanics is to correctly differentiate with respect to each corresponding phase. For this, consider a generic (vector or scalar) field us (x, t) associated with the solid phase, thus the material (total) derivative reads dus ∂us = dt ∂t + ∇x (us )vs , x 9 10 introduction dy where vs = dts is the solid velocity. Furthermore, us can be associated R to an extensive quantity U = ω(t) us dx for some subdomain ω(t) ⊂ Ω(t), whose material derivative reads Z Z d ∂us + divx (us ⊗ vs ) dx. us dx = dt ω(t) ∂t x ω(t) We also introduce an analogous expression for material derivatives with respect to the fluid, such that for a generic quantity uf we obtain df uf ∂uf = dt ∂t and + (∇ uf )vf Z Z df ∂uf uf dx = dt ω(t) ∂t ω(t) x + divx (uf ⊗ vf ) , x where vf stands for the fluid velocity. We define the relative velocity vr = vf − vs and consider an integral quantity composed of solid and fluid quantities, i.e. Z Z U= u dx = (us + uf ) dx, ω(t) ω(t) for which we define the total mixture derivative as Z Z DU d df = us dx + uf dx. Dt dt ω(t) dt ω(t) This yields the differentiation lemma. Lemma 1 (Differentiation lemma [56]). For any sufficiently differentiable quantity u = us + uf (scalar, vector or tensor), with uf associated to the fluid particles and us to the solid ones, we have for all ω(t) ⊂ Ω(t) Z ∂u DU = + divx (u ⊗ vs ) + divx (uf ⊗ vr ) dx. Dt ∂t x ω(t) Defining the reference tensors U = Ju and Vr = JF −1 vr , we obtain the expression in reference configuration: Z ∂U DU = + divX (uf ⊗ Vr ) . Dt ∂t X ω0 Mass conservation We consider a distributed mass source term θ associated to the fluid phase, and define the fluid, solid and total densities as ρf , ρs and ρ = φs ρs + φρf respectively. The conservation of mass in an arbitrary region ω(t) ⊂ Ω(t) for the fluid reads Z Z D ρf φ dx = θ dx, Dt ω(t) ω(t) 2.4 poroelasticity which together with Lemma 1, where us = 0, yields ∂(ρf φ) + divx (ρf φvf ) = θ ∂t in Ω(t). (1) If we instead consider the total density ρ, we would obtain ∂ρ + divx (ρvs + ρf φvr ) ∂t in Ω(t), and from their difference we get the conservation law for the skeleton: ∂(ρs φs ) + divx (ρs vs + ρf vf ) ∂t in Ω(t). Note that using instead Lemma 1 for the solid density in reference configuration we get, using in such case uf = 0: ∂(Jρs ) =0 ∂t in Ω(t), meaning that the reference density ρs,0 = Jρs is conserved, as it would be expected. To formulate mass conservation in the reference configuration, we define the reference density of added mass m in Ω0 as m = Jρ − ρ0 , equivalently defined as follows in virtue of the solid mass conservation: m = ρf Jφ − ρf,0 φ0 . Again, the differentiation Lemma now using U = ρf + m gives dm + divX (W) = Θ dt in Ω0 , (2) where we set Θ = Jθ and define the flow vector W = ρf φVr . Conservation of momentum We now define the corresponding acceleration terms. For the solid, this reads dvs ∂vs as = = + (∇x vs )vs , dt X ∂t x whereas the fluid uses the material derivative with respect to the fluid particles, thus it is given by af = df vf ∂v = f dt ∂t + (∇x vf )vf . x Using these definitions, the total acceleration can be defined using the total density as ρa = ρs φs as + ρf φaf . 11 12 introduction The conservation of momentum takes into account four components: The total inertia, the source term through θvf , body forces f and surface traction t, which all together is given by D Dt Z Z ω(t) (ρs φs vs + ρf φvf ) dx = ω(t) Z θvf dx + Z t ds. ρf dx + ω(t) ∂ω(t) Using Lemma 1, mass conservation and the existence of the Cauchy tensor σn = t we obtain the well-known equations for the mixture case ρa − divx σ = ρf in Ω(t). Using the Piola stress tensor P = JσF −T , the same equations can be written in reference configuration: (ρ0 + m)a − divX P = (ρ0 + m)f in Ω0 . (3) Constitutive modeling We consider an isothermal porous mixture, so we neglect temperature throughout the entire manuscript. Constitutive modeling rests on devising an adequate Helmholtz free energy Ψ = Ψ(F , m) and Gibbs free energy gm = gm (p), which depends on the pressure p. The Gibbs free energy satisfies the state equation (see [65]) ∂gm 1 = , ∂p ρf and for our purposes it suffices to consider gm = ρ−1 f,0 (p − p0 ) for some resting pressure p0 , which yields the incompressibility of the fluid, i.e ρf = ρf,0 . In addition, both potentials are related through ∂Ψ = gm , ∂m so that the entire modeling of the problem is given by the Helmholtz free energy. In virtue of solid mass conservation, the potential can be also written as Ψ = Ψ(F , ϕ), where ϕ := Jφ is the reference (or Lagrangian) porosity. This name can be seen from the following simple identity: Z Z φ dx = ω(t) Jφ dX. ω0 The main tool for constructing such potentials is the second law of Thermodynamics, which yields the celebrated Clausius-Duhem inequality [89]. Its consequences are fundamental for devising thermodynamic potentials, and can be summarized as [56]: • The Piola stress tensor is the sum of three contributions: P = φPvis + ∂Ψ ∂Ψdamp + , ∂F ∂Ḟ 2.4 poroelasticity where Pvis represents the stress associated to fluid viscosity, and Ψdamp represents viscous effects of the solid. For the rest of the work, we ignore such term, and thus set Ψdamp = 0. • The fluid stress tensor satisfies the dissipation inequality σvis : ε(vf ) > 0, where ε(v) = sym (∇ v). We consider in what follows σf (vf ) = 2µf ε(vf ), which of course satisfies the dissipation inequality. • There exists a positive definite second order tensor Kf such that W 1 T T = Kf − ∇X p + ρf F (f − af ) + F divX (φPvis ) . ρf φ We highlight that this is a generalized Darcy law, which incorporates the fluid intertia, body forces and the Brinkman term. The tensor Kf and its representation in current configuration kf , related through kf = J−1 F Kf F T , are known as the reference and current permeability tensors respectively. 2.4.1 Governing equations We are now in position to present the system of equations to be solved by putting together the fundamental balance laws: (ρ0 + m)a − divX P = (ρ0 + m)f in Ω0 , (4a) ρf af + (ρf kf ) −1 w + ∇x p − φ −1 divx σvis = ρf f dm + divX W = Θ dt in in Ω(t), (4b) Ω0 , (4c) where W = JF−1 w. For computational purposes, it is convenient to slightly modify these equations in order to remove the contribution of the reference viscous stress Pvis from the solid momentum. For this, we write the momentum equation in reference configuration and subtract it from the fluid momentum to obtain the following: −1 ∂Ψ T ρs φs as − divx J F + φpI + p ∇x φ − φ2 kf−1 (vf − vs ) = ρs φs f. ∂F As observed in [56], the Helmholtz free energy should depend on the reference solid porosity Js = Jφs = J(1 − φ), so that the potential can be written as Ψ(F , Jφ) = Ψs (F , Js ), which yields ∂Ψ ∂Ψs ∂Ψs −T = + JF . ∂F ∂F ∂Js 13 14 introduction ∂Ψ Note finally that by definition we have p = − ∂J , so putting this in s the previous equation yields ∂Ψs T ρs φs as − divx J−1 F − (1 − φ)pI ∂F + p ∇x φ − φ2 kf−1 (vf − vs ) = ρs φs f. Taking again the pressure outside of the divergence, we get the following: −1 ∂Ψs T ρs φs as − divx J F + (1 − φ) ∇x p − φ2 kf−1 (vf − vs ) = ρs φs f, ∂F which in reference configuration is now a suitable form for numerical implementation: ρs,0 φs,0 as − divX Ps + (1 − φ)F −T ∇X p − φ2 kf−1 (vf − vs ) = ρs,0 φs,0 f, where we used Ps = 2.4.1.1 ∂Ψs ∂F . A (slightly) simplified model In [60] the authors consider a simplified model which allows to reduce the relative velocity vs − vf , similarly to the reduction from Darcy to Poisson models. For this, consider Equation (4b) in reference configuration without the inertia, external forces and dissipation to obtain the simple relation W = −ρf JF −1 kf F −T ∇X p. (5) Plugging this in (4c) gives dm − ρf divX JF −1 kf F −T ∇X p = Θ, dt and then ignoring the inertia, permeability and the coefficient (1 − φ)F −T in the mechanics we obtain the simplified model presented in [60]: dm − ρf divX dt − divX P = ρs,0 φs,0 f JF −1 kf F −T ∇X p = Jθ in Ω0 , (6a) in Ω0 , (6b) where we use the effective Piola stress tensor P = ∂Ψ ∂F . Note that we decided to keep in the presentation kf and θ instead of their reference configuration counterparts. The reason behind this is that parameters are intrinsically defined in current configuration, whereas the reference configuration can be seen as an abstract construction. This means that parameters in reference configuration are actually a physically accurate representation of the current configuration ones. We close this section with one minor but important aspect: at this point it might not be clear what the problem variables are, for which we focus in (6). The variables are four: 2.5 our contributions 15 1. The added mass m. 2. The displacement ys . 3. The pressure p. 4. The Piola stress tensor P . The last two, as previously discussed, are related to the added mass and displacement through constitutive models as P = ∂Ψ ∂F and p = ∂Ψ , which leaves the problem depending on only two variables, m ∂Jφ and ys . One last observation to be made is that the added mass can be replaced with the reference porosity ϕ := Jφ. We assign it a specific name as it is the natural variable in this problem. Indeed, pressure is ∂Ψ given by p = ∂ϕ , and using the reference porosity we can rewrite the mass conservation as dϕ J − divX JF −1 kf F −T ∇X p = θ dt ρf 2.5 in Ω0 . our contributions This work deals with the numerical approximation of poroelasticity for cardiac perfusion and is divided in three chapters. In Chapter 2, we perform the well-posedness and numerical analysis of a linearized poromechanics model. We follow in particular the works by Chapelle and co-workers [49, 50, 56], where they introduced a general thermodynamically consistent poromechanics model. In the original formulation [56], the authors develop their model for the general case of large deformations. Such model is extremely challenging from the mathematical analysis standpoint, because it presents nonlinearities on both the constitutive equations and the geometry due to large deformations. For these reasons, we focus on the linearization of the previous model, proposed by the same authors in [49, 50] and derived under the assumption of small deformations. In this setting, the porosity (fluid volume fraction) is a fixed parameter of the model. When the fluid phase is strictly incompressible and the solid phase is nearly-incompressible, the model exhibits an interesting saddlepoint structure where a linear combination of the velocities of the fluid and solid phases determine the fulfillment of the quasi-incompressibility constraint. The weights of the linear combination of velocities depend on the porosity of the material. We show the well-posedness of the problem in the sense of Hadamard [91] through a Faedo-Galerkin argument [72], where the continuous problem is discretized using conforming finite elements spaces and the discrete problem is analyzed using the theory of Differential Algebraic equations [52], which highlights the saddle point structure of the problem. The works [49, 50] looked at the problem as it was formed by coupled equations of 16 introduction parabolic type, which somehow put the role of the incompressibility constraint in the background. Here, we change this perspective towards a hybrid system of parabolic and hyperbolic partial differential problems. This new approach allows us to put into evidence the saddle-point nature of the problem and the role of the weighted infsup condition between fluid velocity, solid displacement and pressure to determine the stability of the approximation scheme. More precisely, after discretizing the problem by means of finite differences in time and finite elements in space, we address the numerical stability of a numerical scheme based on the family of TaylorHood finite elements [176] for the approximation of fluid velocity, solid displacement and pressure; both fluid velocity and solid displacement are required to have a degree of approximation higher than that of the pressure. Our analysis confirms that the inf-sup stability of the scheme depends on the porosity and provides guidelines to choose the polynomial order used for the approximation of the velocity and displacement in different scenarios obtained by varying this parameter. We notice that such analysis may be particularly relevant also for the fully nonlinear version of the model, where the porosity is a variable of the system. We published these results in [14]. In Chapter 3 we develop iterative schemes for the linearized model studied in the first part and present some preliminary extensions to the nonlinear case. The schemes we propose are based on the splitting schemes developed for Biot’s equation [26, 27] by means of a decoupling of the fluid and solid phases, which heavily depends on the saddle point structure of the problem. The first splitting scheme proposed is an adapted form of the undrained split, which is formulated and analyzed by posing the time-discretized problem as a generalized gradient flow [35, 39]. One major drawback of this scheme is the sensitivity with respect to quasi-incompressibility, which we show theoretically and then verify numerically as well. The other scheme we study is a diagonally L2 stabilized scheme, which can be seen as a generalization of the classic fixed-stress scheme [168]. This scheme can be analyzed by means of the novel concept of relative stability, which implies the r-linear convergence [152] of subsequence and yields the interesting property of allowing for negative stabilization factors (or destabilization). Indeed, we show numerical evidence that supports destabilization as an important contribution to efficiency. The diagonally L2 stabilized scheme is very robust with respect to the bulk modulus, but presents difficulties achieving convergence whenever the reaction part of the diagonal block is dominant. Finally, we use a Schur complement formalism to devise a three-way splitting scheme based on the diagonal splitting which resembles the CahouetChabard preconditioner [51]. We end this chapter with a nonlinear model in which we test all the proposed schemes and thus shed light on quasi-Newton schemes for nonlinear poromechanics. 2.5 our contributions One major limitation of these schemes is that they require stabilization parameters. Even if optimal ones are computed through analysis, they are not guaranteed to give optimal performance. This becomes even more difficult in the fully nonlinear case, where analysis is not available and thus the parameters need to be computed numerically. This can potentially present serious deterioration in convergence, hindering the robustness of the schemes. As in [38], we show that Anderson acceleration is able to relax the requirement of sharp estimates of the stabilization parameters, which renders our schemes robust in practice. In addition, some non-convergent scenarios become convergent when sufficient depth is used for the acceleration. In Chapter 4 we address the fully nonlinear multi-compartment poroelasticity model [60] coupled with coronary circulation. Blood flow in the coronaries can be modeled with a lumped Navier-Stokes model [74, 133, 143, 155, 190], which can be justified by the small diameter of the coronary vessels [149]. Regarding cardiac perfusion, lumped models have been used to study fluid dynamics of the coronary vessels [108, 109] and more recently to generate a network of vessels, and then coupled with a poromechanics model [133]. These lumped models require ad-hoc approximations to obtain a closed system, which depend on the boundary conditions under consideration. To circumvent this limitation, we extended them in a way that allows arbitrary combinations of boundary conditions on the vessels, which can be of both Dirichlet and Neumann type. This problem presents severe ill-conditioning, so we study numerical strategies to adequately handle its numerical approximation. Both the left ventricle and epicardial coronary vessels geometries are obtained from the realistic Zygote geometry, where we adapted the original geometry areas in the lumped model to obtain physiological results. We expect this effect to be minimized when using real coronary vessels, although given the sensitivity of reduced models to the vessel area, additional adjustments might still be required. The myocardium is modeled with two compartments: One compartment for the arterioles and another one for the capillaries. The veins are considered as a homogeneous sink term [55, 128]. For the constitutive modeling of the myocardium we propose a novel decomposition of the Helmholtz potential which combines previous approaches [56, 60] and extends them to the multi-compartment scenario. This new potential, apart from including the classical energy term which yields the Piola stress tensor, includes a barrier function which imposes the fluid volume fraction to be between 0 and 1. The governing equations are given by nonlinear mechanics [65, 97] and the porous media equation [184], and by looking at their regularity requirements for existence of solutions we obtain simple convexity conditions under which the separate physics guarantee existence of solutions. We also study the numerical approximation of the porome- 17 18 introduction chanics problem by comparing monolithic and iterative strategies, for which we show numerical evidence of convergence and then study the wall-time of the different schemes. The coupling of the myocardium with the coronary vessels is done through pressure continuity, where spatial information of the reduced vessels is maintained through the use of perfusion regions [30], so that each vessel perfuses a corresponding portion of the domain. Then, the outflow of each vessel irrigates the tissue through a source term in the mass balance. To take advantage of the existing electromechanics models, we propose a one-way coupling strategy, in which the mechanics are decoupled from the perfusion, and thus are considered as a pre-processing stage. The resulting mass conservation system is coupled with the coronary circulation through a fixed point algorithm [60, 70, 119]. The model is able to reproduce physiological conditions and thus, combined with the use of electromechanics as a pre-processing stage, presents a powerful tool for the efficient creation of in-silico models. We have indeed obtained such results by using the displacement of the heart as data, which dramatically reduces the computational time required to run these simulations. 2.6 fundamental notions, definitions and notation In this section we briefly define all relevant spaces and objects that will appear in this thesis, and they can be found in any Functional Analysis textbook, such as [43]. The fundamental concepts are those of a Banach and a Hilbert space. A Banach space is simply a complete vector space, whereas the Hilbert space is a pair consisting in a complete vector space with an inner product (H, (·, ·)H ). The inner product is a bilinear symmetric positive definite operator, which means that it satisfies the following three properties: 1. (x, y)H = (y, x)H for all x, y in H. 2. (ax1 + bx2 , y)H = a(x1 , y)H + b(x2 , y)H for all x, y in H and a, b in R. 3. (x, x)H > 0 for all x 6= 0. In particular, the inner product defines the norm kxk2 := (x, x) and these properties imply the celebrated Cauchy-Schwartz inequality (x, y)H 6 kxkH kykH ∀x, y ∈ H. Another important property is that Hilbert spaces are reflexive because there exists an isometry between them and their dual. It is called the Riesz isometry, and is given by the mapping T : H → H 0 defined as hT x, yiH 0 ×H = (x, y)H , 2.6 fundamental notions, definitions and notation where h·, ·iH 0 ×H represents the duality pairing between a space and its dual. Arguably the most known Banach spaces are Lebesgue spaces, which are composed of measurable functions f : Ω → R such that, for p > 1, Z kfkp Lp (Ω) := |f|p < ∞, Ω and complete with respect to k · kLp (Ω) . They satisfy the Hölder inequality: Consider two functions f ∈ Lp (Ω) and g ∈ Lq (Ω) such that 1/p + 1/q = 1, then kfgkL1 (Ω) 6 kfkLp (Ω) kgkLq (Ω) ∀f ∈ Lp (Ω), g ∈ Lq (Ω). In particular, L2 (Ω) R is a Hilbert space with respect to the inner product hf, giL2 (Ω) = Ω fg dx. Using the space C∞ 0 (Ω) of infinitely differentiable functions with compact support in Ω, we can define the notion of a weak derivative 0 as follows: The weak derivative of a distribution T ∈ (C∞ 0 (I)) is the 0 ∞ 0 object T ∈ (C0 (I)) such that ∞ ∞ 0 0 hT 0 , fi(C∞ = −hT , f 0 i(C∞ 0 (I)) ×C0 (I) 0 (I)) ×C0 (I) ∀f ∈ C∞ 0 (I). Now we can define the Sobolev spaces W r,p (Ω), which are Banach spaces defined as W r,p (Ω) := {f ∈ Lp (Ω) : Dα f ∈ Lp (Ω), |α| 6 r}, where Dα stands for the weak derivative of order |α|, with α a multiindex. Last but not least, we require the definition of Bochner spaces, which are still Banach spaces representing time dependence. For them, all concepts defined so far can be naturally extended to hold, such as weak differentiation and norms. We thus define the Bochner spaces Lp (0, T ; X), 1 6 p < ∞, and L∞ (0, T ; X) for any Banach space X as the spaces where the function x : (0, T ) → X has finite norms R 1/q T q kx(s)k ds and sups∈(0,T ) kx(s)kX respectively. Weak time X 0 derivatives are considered in p W k,p (0, T ; X) = {x ∈ Lp (0, T ; X) : ∂n t x ∈ L (0, T ; X) ∀n ∈ N, n 6 k} , for 1 6 p 6 ∞. One important property is that the time integral of a function f : (0, T ) → W r,p (Ω) is well defined, still yields a function in W r,p (Ω) and commutes with linear bounded operators, so if T : W r1 ,p1 (Ω) → W r2 ,p2 (Ω) then Zs Zs T f(s) ds = T f(s) ds ∀f(s) ∈ L1 (W r1 ,p1 (Ω)). 0 0 This in particular means that we can freely change the order of integration. More details about Bochner spaces can be found in [100, 103]. 19 20 introduction We consider the normalized space L20 (Ω) := {q ∈ L2 (Ω) : (q, 1)L2 = 0}, and boundary conditions can be considered in a subset of the domain Γ ⊆ ∂Ω, with which we define the trace operator γD : H1 (Ω) → H1/2 (Γ ) given by γD (η) = η|Γ . If Γ ≡ ∂Ω, we have H10 (Ω) := {η ∈ H1 (Ω) : γD (η) = 0} which is equivalently defined as the closure of smooth functions with compact support with the H1 norm: H10 (Ω) := C∞ 0 (Ω) k·kH1 (Ω) . For a positive function ψ, we consider the weighted Sobolev spaces R 2 2 2 L (Ω, ψ dx) with norm kfkψ = (f, f)ψ = Ω f ψ dx. Also, we use the convention of denoting scalars, vectors, tensors and matrices as a, a, A and A, respectively [130], and all derivatives will be posed in reference configuration, so ∇ = ∇X unless specified otherwise. Also, ∂ we use the notation ∂t := ∂t . Let V, W be normed vector spaces, and U ⊂ V be an open subset of V. A function f : U → W is called Fréchet differentiable at x ∈ U if there exists a bounded linear operator ∂x f : V → W such that kf(x + h) − f(x) − ∂x f[h]kW = 0. khkV khkV →0 lim All Fréchét differentiable functions are also also Gâteaux differentiable, and both derivatives coincide, but the converse is in general false. The Gâteaux derivative Df : V → W is given by f(x + th) − f(x) . t→0 t Df[h] = lim More details in [6]. Finally, throughout the manuscript we drop the 0 subindex from the reference domain Ω0 and refer to Ω ⊂ R3 instead unless explicitly stated otherwise. 3 LINEARIZED POROMECHANICS In this chapter we propose an analysis of a linearized model that has been previously proposed in [50], which comes from a linearization procedure applied to (4) under the assumption of small displacements. We consider the mathematical analysis and the numerical approximation of the problem. More precisely, we carry out firstly the well-posedness analysis of the model. Then, we propose a numerical discretization scheme based on finite differences in time and finite elements for the spatial approximation; stability and numerical error estimates are proved. Particular attention is dedicated to the study of the saddle-point structure of the problem, where velocities of the fluid phase and of the solid phase are combined into a single quasiincompressibility constraint. Our analysis provides guidelines to select the componentwise polynomial degree of approximation of fluid velocity, solid displacement and pressure, to obtain a stable and robust discretization based on Taylor-Hood type finite element spaces. The analysis reveals two interesting aspects: The first one is that the choice of the finite element spaces depends on the porosity φ of the mixture, and the second one is that this choice is not symmetric. Indeed, choosing appropriate norms to compute the inf-sup constant arising from the saddle point structure of the problem we expose that the contribution to inf-sup stability of the displacement space is negligible. This chapter is structured as follows: In Section 3.1 we present the linearized model and its derivation through small displacements, in Section 3.2 we present the analysis of the space-discrete linearized problem, in Section 3.3 we present the analysis of the fully-continuous problem, in Section 3.4 we present the error analysis of a fully-discrete problem, in Section 3.5 we present the analysis of the inf-sup condition and in Section 3.6 we present numerical tests to validate our theory. Most of this work has been published in [14]. 3.1 the linearized poromechanics model We formulate (4) on the following abstract form: Find the velocity of the solid phase vs , the velocity of the fluid phase vf and the added mass (per unit volume) m, such that S(vs , vf , m) = 0; F(vs , vf , m) = 0; M(vs , vf , m) = 0; where the operators S(·), F(·), M(·) correspond to the momentum conservation in the solid and fluid phases and mass balance respectively. More precisely, referring to the strong formulation of the model 21 22 linearized poromechanics presented in [50], the operators S(·), F(·), M(·) correspond to the following subproblems: Given vf , m in Ω0 , find vs in Ω0 such that ∂vs − ∇X · Ps ∂t + (1 − φ)JF −T ∇X p − Jφ2 k−1 f (vf − vs ) − ρs (1 − φ0 )f = 0 S(vs , vf , m) = ρs (1 − φ0 ) complemented by the following constitutive laws Ps = ∂Ψ(F, Js ) , ∂F p= ∂Ψ(F, Js ) . ∂Js Given vs , m in Ω(t), find vf in Ω(t) such that 1 d (ρf Jφvf ) + divx (ρf φvf ⊗ ρf (vf − vs )) J dt − divx (φσf ) + φ∇x p + φ2 k−1 f (vf − vs ) − ρf φf = 0. F(vs , vf , m) = Given vs , vf in Ω(t) find m in Ω(t) such that M(vs , vf , m) = 1 dm + divx (ρf φ(vf − vs )) = 0 . J dt The problem must be complemented by boundary and initial conditions. For the boundary constraints many options are possible, as discussed for example in [50]. For the sake of simplicity, we present here only one of the possible variants. Let us split the whole boundary ∂Ωt into two distinct non intersecting parts, ΓD and ΓN , where we enforce Dirichlet and Neumann type conditions, respectively. Let D vD s , vf , t, be assigned velocities and traction for boundary conditions and let v0s , v0f be the assigned initial values, under the assumption that Ω(t) = Ω0 at t = 0. We define the boundary and initial conditions as follows, vs = vD s s on ΓD × (0, T ), vf = vD f f on ΓD × (0, T ), (Ps − (1 − φ0 )pI)n0 = t0 φ(σf − pI)n = t f on ΓN × (0, T ), vs = v0s in Ω0 × {0}, v0f in Ω0 × {0}, vf = m=0 3.1.1 s × (0, T ), on ΓN in Ω0 × {0}. Newton solver and the tangent model Using the previous abstract formulation of the problem, we formally devise the Newton method for the solution of the equations. We note 3.1 the linearized poromechanics model that this linearization is instrumental for the following developments, and is performed with respect to both time and space operators. To this purpose, we denote by Du A the derivative of the operator A with respect to the field u. We point out that such derivative should account for the classical Fréchét derivative of the operator, combined with the time derivatives and the shape derivatives due to deformations of the domain. The central hypothesis in the definition of the tangent problem is that we neglect the shape derivatives, limiting ourselves to account for the Fréchét ones. In other words, we identify the physical domain, Ω(t), with the reference one, Ω0 (and for simplicity we drop the subindexes 0, t, denoting both by Ω). In this setting, we address the following quasi-Newton method for the solution of the nonlinear problem: 1. Given vs , vf , m, such that the boundary and initial conditions of the nonlinear problem are satisfied, calculate δvs , δvf , δm solution of the following system of linear equations, D S Dvf S Dm S δv S(vs , vf , m) vs s D F D F D F δv = − F(v , v , m) v s v m f f s f Dvs M Dvf M Dm M M(vs , vf , m) δm where Dvs S etc. represent Fréchét derivatives in the point vs , vf , m, and the system must be solved using boundary and initial conditions of the same type of the nonlinear problem, but with homogeneous (null) data; e = vs , vf , m + δvs , δvf , δm; 2. Calculate ves , vef , m 3. Stop the algorithm if the following test is satisfied, for a given tolerance , e F(ves , vef , m), e M(ves , vef , m)k e 6 ; kS(ves , vef , m), e and continue. 4. Otherwise set vs , vf , m ← ves , vef , m In [50] an approximate yet explicit expression of the tangent problem is provided. More precisely, the nonlinear problem is linearized around the configuration at rest, namely vs , vf , m = 0. As a result we have m = 0 and φ = φ0 6= 0. As in [50], we denote by vs , vf , m the increments with respect to such state and use an additive decomposition of the free energy, with a Saint-Venant Kirchhoff component for the mechanics and a quadratic potential for the volumetric deformation of the solid phase Js , which reads λ κs Ψ(F, Js ) = (tr E)2 + µE : E + 2 2 Js −1 1 − φ0 2 , 23 24 linearized poromechanics where E = FT + F + FT F, also µ, λ are the Lamé constants and κs is the bulk modulus. Under small deformations we have thath E ≈ ε(ys ) and J ≈ 1 + div ys , which give ∂Ψ ≈ σs (ys ) = CHooke ε(ys ) = λs tr ε(ys ) + 2µs ε(ys ), ∂F κs m ∂Ψ ≈ p= − div ys , ∂Js (1 − φ0 )2 ρf Ps = where C is a fourth order constant tensor (symmetric, positive definite), known as Hooke tensor. In the linearized setting it is possible to reformulate the problem in terms of the (more commonly used) variable p instead of the added mass. As a result, the approximate tangent problem for the configuration at rest reads as follows: Find ys , vf , p such that the following system of equations holds in Ω: ρs (1 − φ)∂tt ys − div σs (ys ) + (1 − φ) ∇ p −φ2 k−1 f (vf (7a) − ∂t ys ) = ρs (1 − φ)f, (7b) ρf φ∂t vf − div (φσf (vf )) + φ ∇ p + φ2 k−1 f (vf − ∂t ys ) = ρf φf, (7c) ρf (1 − φ)2 ∂t p + div (ρf φvf ) + div (ρf (1 − φ) ∂t ys ) = 0. κs (7d) The system (7) is closed with appropriate boundary conditions naturally following from the ones of the nonlinear problem. For the sake of clarity we report them here ys = ys D s on ΓD × (0, T ), (8) vf = vD f on ΓD × (0, T ), (9) on (CHooke ε(ys ) − (1 − φ)pI) n = t on φ (σf (vf ) − pI) n = t s ΓN f ΓN × (0, T ), (10) × (0, T ), (11) in Ω × {0}, (12) ∂t ys = v0s in Ω × {0}, (13) v0f 0 in Ω × {0}, (14) in Ω × {0}. (15) ys = ys vf = 0 p=p , For simplicity, we restrict the following analysis to Dirichlet boundary conditions: vf = vD and ys = yD on ∂Ω, for given vD , yD in H1/2 (∂Ω). We have left aside the natural no-slip condition vf = vs on the boundary. A simple weak imposition of this condition was analyzed for a monolithic solver in [50], so there is no 3.1 the linearized poromechanics model 25 loss of generality in our choice. We also consider the problem with homogeneous Dirichlet conditions to avoid using additional lifting terms. Remark. Biot’s model [24] is given by: − div CHooke ε(ys ) + α ∇ p = fs , Kf−1 w + ∇ p = ff , p ∂t + α div ys + div w = θ, M (16) where α is the Biot coefficient and M is the Biot modulus. The main differences between this model and (7), rely on the presence of the permeability in the fluid and solid momentum equations and the symmetric way in which fluid and solid velocities behave; the latter means that fluid quantities are multiplied by the fluid fraction φ whereas solid quantities are multiplied by the solid fraction 1 − φ. These features will be evident during the analysis, as they yield a positive definite formulation of the semi-discrete, continuous in time problem in the framework of Differential Algebraic Equations. 3.1.2 Variational formulation The weak formulation of problem (7) reads: Find (ys , vs , vf , p) in L2 (0, T ; H10 (Ω)) × L2 (0, T ; L2 (Ω)) × L2 (0, T ; H10 (Ω)) × L2 (0, T ; L20 (Ω)): (ρf φ∂t vf , v∗f ) + 2µf (φε(vf ), ε(v∗f )) ∗ ∗ −(p, div(φv∗f )) + (φ2 κ−1 f vf , vf ) − (θvf , vf ) ∗ ∗ −(p, div(φv∗f )) − (φ2 ˇ−1 f vs , vf ) = (ρf φf, vf ), (1 − φ)2 ∂t p, q + (q, div(φvf )) + (q, div((1 − φ)vs ) = (ρ−1 f θ, q), κs (ρs (1 − φ)∂t vs , ws ) + (CHooke ε(ys ), ε(ws )) + (φ2 κ−1 f vs , ws ) −(p, div((1 − φ)ws )) − (φ2 κ−1 f vf , ws ) = (ρs (1 − φ)f, ws ), (∂t ys , v∗s ) − (vs , v∗s ) = 0, (17) for every test function (ws , v∗s , v∗f , q) in H10 (Ω) × L2 (Ω) × H10 (Ω) × L20 (Ω), with initial conditions vf (0) = ξf , p(0) = ξp , ys (0) = ξs , vs (0) = ξv . By defining σf (vf ) = 2µf ε(vf ), σs (ys ) = CHooke ε(ys ) and the following Riesz operators: Af : H10 (Ω) → (H10 (Ω)) 0 hAf (·1 ), (·2 )i = (φσf (·1 ), ε(·2 )), As : H10 (Ω) → (H10 (Ω)) 0 hAf (·1 ), (·2 )i = (φσf (·1 ), ε(·2 )), 2 2 K : L (Ω) → L (Ω) Bφ : H10 (Ω) → L20 (Ω) B1−φ : H10 (Ω) → L20 (Ω) hK(·1 ), (·2 )i = (φ2 κ−1 f (·1 ), (·2 )), hBφ (·1 ), (·2 )i = −((·2 ), div(φ(·1 ))), hB1−φ (·1 ), (·2 )i = −((·2 ), div((1 − φ)(·2 ))), 26 linearized poromechanics problem (17) can be written in block form as: ρf φ 0 0 (1−φ)2 κs 0 0 0 0 ∂t vf 0 0 0 ∂t p 0 ρs (1 − φ) ∂t ys 0 1 0 ∂t vs Af + K − θ BTφ 0 Bφ 0 0 + BT1−φ As −K 0 0 −K vf Ff B1−φ p = Fp , (18) K ys Fs 0 vs −1 0 with the notation being understood. For the sake of analysis, we use ∂t ys instead of vs in the Stokes equation, mass and momentum conservation to obtain the following equivalent formulation: ∗ (ρf φ∂t vf , v∗f ) + (φσf , ε(v∗f )) − (θvf , v∗f ) + (φ2 κ−1 f vf , vf ) ∗ ∗ −(p, div(φv∗f )) − (φ2 κ−1 f ∂t ys , vf ) = (ρf φf, vf ), (1 − φ)2 ∂t p, q + (q, div(φvf )) + (q, div((1 − φ)∂t ys ) = (ρ−1 f θ, q), κs (ρs (1 − φ)∂t vs , ws ) + (σs , ε(ws )) + (φ2 κ−1 f ∂t ys , ws ) −(p, div((1 − φ)ws )) − (φ2 κ−1 f vf , ws ) = (ρs (1 − φ)f, ws ), (ρs (1 − φ)∂t ys , v∗s ) − (ρs (1 − φ)vs , v∗s ) = 0, (19) for all test functions (v∗f , q, ws , v∗s ) in H10 (Ω) × L20 (Ω) × H10 (Ω) × L2 (Ω); when written in block form, it reads ρf φ 0 0 0 + 0 −K (1−φ)2 κs −B1−φ 0 K 0 ρs (1 − φ) 0 ∂t vf ∂t p ∂ y ρs (1 − φ) t s 0 0 ∂t vs Ff vf p Fp = . (20) ys Fs BTφ 0 0 −Bφ 0 0 0 −K BT1−φ As 0 0 0 0 −ρs (1 − φ) Af + K − θ vs 0 Although at first glance formulation (20) breaks the structure of the problem, it presents the useful property that the combination of the two matrix blocks yields a generalized saddle point structure. This property would not hold with (18), and it is fundamental in proving the existence of solutions using Theorem 1. Also, we remark that our formulation differs from that proposed in [50] in the functional setting. More precisely, we look for the solid velocity in a weaker space, 3.2 analysis of the semi-discrete problem 27 namely L2 (Ω) instead of H10 (Ω). Our choice is determined by the different approach to the analysis of the problem and in particular by the fact that an energy estimate for vs in H10 (Ω) would be hardly derived. Besides this technical difficulty, there is no reason to conclude that vs and ys shall not belong to the same functional space. As a result, in the numerical discretization of the problem we approximate both using the same finite element space that is conforming to H10 (Ω). Remark. Note that all blocks, except for As , depend on the porosity φ. Also, our formulation differs from that proposed in [50] in the choice of test functions. Indeed, they are interchanged between the displacement and solid velocity equations, and moreover we look for the solid velocity in the space L2 (Ω) instead of H10 (Ω). These choices present higher difficulties during the analysis, but in return they shed light on the well-posedness of an alternative formulation in which vs would no longer a variable. 3.2 analysis of the semi-discrete problem In this section, we analyze a semi-discrete, continuous in time, version of (17). We follow an approach similar to the one used in [5]. For this, consider a family of triangulations {Th }h>0 of symplexes K of characteristic size h and Pk (K) the polynomials of degree k > 1 in K to define Xk h = {q ∈ C(Ω) : q|K ∈ Pk (K) ∀K ∈ Th }. With them, we define the following discrete spaces: d Vf,h = H10 (Ω) ∩ [Xk+1 h ] , Qp,h = L20 (Ω) ∩ Xk h, d Vs,h = H10 (Ω) ∩ [Xk+1 h ] , d Qv,h = L2 (Ω) ∩ [Xk h] , which are conforming and satisfy the discrete inf-sup condition described later in Section 3.5. Then, the semi-discrete problem reads: Find (vf,h (t), ph (t), ys,h (t), vs,h (t)) in Vf,h × Qp,h × Vs,h × Qv,h almost everywhere in t > 0 such that (ρf φ∂t vf,h , v∗f,h ) + (φσf (vf,h ), ε(v∗f,h )) ∗ −(θvf,h , v∗f,h ) + (φ2 κ−1 f vf,h , vf,h ) ∗ ∗ −(ph , div(φv∗f,h )) − (φ2 κ−1 f ∂t ys,h , vf,h ) = (ρf φf, vf,h ), (1 − φ)2 ∂t ph , qh + (qh , div(φvf,h )) κs +(qh , div((1 − φ)∂t ys,h ) = (ρ−1 f θ, qh ), (ρs (1 − φ)∂t vs,h , ws,h ) + (σs (ys,h ), ε(ws,h )) +(φ2 κ−1 f ∂t ys,h , ws,h ) − (ph , div((1 − φ)ws,h )) −(φ2 κ−1 f vf,h , ws,h ) = (ρs (1 − φ)f, ws,h ), ((1 − φ)∂t ys,h , v∗s,h ) − ((1 − φ)vs,h , v∗s,h ) = 0, (21) for any test functions (v∗f,h , qh , ws,h , v∗s,h ) in Vf,h × Qp,h × Vs,h × Qv,h , and for given initial conditions vf,h (0) = Πf,h ¸f , ph (0) = Πp,h ξp , ys,h (0) = 28 linearized poromechanics Πs,h ¸s , vs,h (0) = Πv,h ¸v ; here, Π(·),h denotes the L2 projection to the corresponding discrete space. From now on it makes no contribution to specify the h subindex, and we will thus omit it on the remaining of this section. For the analysis of problem (21) we make use of the following result from the theory of Differential Algebraic Equations [52]. Theorem 1. Let L : [0, T ] → RN and E, H in RN×N be given arrays. Then, the differential algebraic equation given by E dX (t) + HX(t) = L(t), dt t>0 has at least one solution X : [0, T ] → RN for any initial condition X(0) = X0 if sE + H is invertible for some s 6= 0. Finally, we will make use of Korn’s inequality [42]: kε(v)kL2 (Ω) > αk |v|H1 (Ω) ∀v ∈ H10 (Ω), (22) for some positive constant αk and the following assumptions. (H1) The porosity φ is such that φ, 1/φ, (1 − φ) and (1 − φ)−1 belong to W s,r (Ω) with s > d/r and r > 1, and there exist two positive constants φ and φ such that 0 < φ 6 φ 6 φ < 1 almost everywhere in Ω. (H2) The stress tensors σs and σf give rise to continuous elliptic bilinear forms: ∃Cskel > 0 : (σs (ws ), ε(ws )) > Cskel kε(ws )k2L2 (Ω) , ∃Cvis > 0 : (φσvis (v∗f ), ε(v∗f )) − (θv∗f , v∗f ) > φ Cvis kε(v∗f )k2L2 (Ω) , for all test functions ws ∈ H10 (Ω) and v∗f ∈ H10 (Ω). (H3) The permeability tensor is symmetric and positive: ∗ ∗ ∗ 2 ∃Ck > 0 : (φκ−1 f vf , vf ) > Ck kvf kL2 (Ω) ∀v∗f ∈ H10 (Ω). From these hypotheses, we obtain the relevant ellipticity estimates, which we collect in the following lemma to be used later in both the well-posedness analysis and the energy estimate. We point out that the hypothesis (H2) poses a hard restriction on the parameter θ. We set such a strong requirement for the sake of simplicity as it will be used in what follows to straightforwardly prove the existence and the stability of solutions. However, it can be relaxed by means of a more refined approach to the analysis that exploits an exponential scaling of the velocity, namely vf,λ = exp{−λt} vf . Choosing λ sufficiently large would make such requirement unnecessary, but the analysis of the problem would turn out to be more involved. 3.2 analysis of the semi-discrete problem 29 Lemma 2. Under hypotheses (H1), (H2) and (H3) there exist two positive constants αf , αs such that: (σs (ws ), ε(ws )) > αs kws k2H1 (Ω) ∀ws ∈ H10 (Ω), ∗ ∗ ∗ 2 (φσf (v∗f ), ε(v∗f )) + ([φκ−1 f − θI]vf , vf ) > αf kvf kH1 (Ω) ∀v∗f ∈ H10 (Ω). Proof. The result is a direct application of Korn’s inequality with hypotheses (H1), (H2) and (H3), with αs = Cskel αk and αf = min{φ Cvis αk , Ck }. 3.2.1 Existence and uniqueness Problem (20) can be cast into the framework of Theorem 1 by defining the following operators: ρf φ 0 E := 0 0 −K (1−φ)2 κs −B1−φ 0 K 0 ρs (1 − φ) 0 0 and ρs (1 − φ) 0 0 Af + K − θ BTφ 0 0 −Bφ 0 0 0 . H := BT1−φ As −K 0 0 0 0 −ρs (1 − φ) Then, identifying each operator with its induced matrix in boldface as Af , As , K, Bφ , B1−φ . We also define M(ζ) the weighted mass matrix related to the inner product (ζz, z∗ ) and the mass matrices Av , Ap associated to vs and p, which give: T Bφ Af + M(ρf φ) + K − M(θ) K 0 K As + K M(ρs (1−φ)) 0 −M(ρs (1−φ)) Av Bφ B1−φ 0 E +H = " T B1−φ = A B 0 −Ap where Af + M(ρf φ) + K − M(θ) K K As + K 0 −M(ρs (1−φ)) A= h B = Bφ B1−φ i 0 , 0 M(ρs (1−φ)) , Av C = Ap . We first show the ellipticity of A and the inf-sup condition of B (Section 3.5) to then use Theorem 13 from A. Lemma 3. The matrix A is positive definite. BT −C # , 30 linearized poromechanics Proof. We proceed directly from the bilinear forms testing against the 2 −1 2 −1 solution, using the inequality 2(φ2 κ−1 f u, v) 6 (φ κf u, u) + (φ κf v, v) and hypotheses (H1), (H2). We define A(·, ·) the bilinear form associated to matrix A: A((vf , ys , vs ), (vf , ys , vs )) = (ρf φvf , vf ) + (φσvis , ε(vf )) + ([φ2 κ−1 f − θI]vf , vf ) − (φ2 κ−1 f ys , vf ) + (ρs (1 − φ)vs , ys ) + (σskel , ε(ys )) 2 −1 + (φ2 κ−1 f ys , ys ) − (φ κf vf , ys ) − (ρs (1 − φ)ys , vs ) + (ρs (1 − φ)vs , vs ) = (ρf φvf , vf ) + (φσvis , ε(vf )) + (φ2 κ−1 f vf , vf ) − (θvf , vf ) + (σskel , ε(ws )) + (φ2 κ−1 f ys , ys ) + (ρs (1 − φ)vs , vs ) − 2(φ2 κ−1 f ys , vf ) ∀(vf , ys , vs ) ∈ H10 (Ω) × H10 (Ω) × L2 (Ω); then we obtain A((vf , ys , vs ), (vf , ys , vs )) > (ρf φvf , vf ) + (φσvis , ε(vf )) − (θvf , vf ) + (σskel , ε(ys )) + Cv kvs k2L2 (Ω) > αf kvf k2H1 (Ω) + Cs kys k2H1 (Ω) + Cv kvs k2L2 (Ω) ∀(vf , ys , vs ) ∈ H10 (Ω) × H10 (Ω) × L2 (Ω), where we note that control of the term with θ is given by hypothesis (H2). Lemma 4. The matrices B, C are such that ker B T ∩ ker C = {0}. Proof. From Theorem 9 we have that B is surjective and thus B T is injective, which yields the result. Remark. Note that although C is a mass matrix, usually the constant κs is very large, which makes the matrix E + H positive semi-definite in practice and may produce numerical instabilities. This motivates the use of B for the proof instead, which gives the same result regardless of the problem parameters. We can now state the existence result. Lemma 5. There exists at least one solution to problem (21). Proof. It follows from Lemmas 3 and 4 which enable Theorem 13 from Appendix A. 3.2 analysis of the semi-discrete problem 31 To prove uniqueness, we consider the problem with null initial data X0 and forcing terms L(t); because of the linearity we only need to prove that this problem has unique (null) solution. We will make use of the identity ∂t (f2 ) = 2f∂t f, the notation c(x, y) = (φ2 κ−1 f x, y), Young’s inequality 2 ab 6 a2 + b2 and the following result regarding norm recalling the definition of the weighted norm R equivalence, 2 2 kvkζ = v ζdx: Lemma 6. The following inequalities hold for t in [0, T ] almost everywhere: q q ρf φkvf (t)kL2 (Ω) 6 kvf (t)kρf φ 6 ρφkvf (t)kL2 (Ω) , q q ρs (1 − φ)kvs (t)kL2 (Ω) 6 kvs (t)kρs (1−φ) 6 ρs (1 − φ)kvs (t)kL2 (Ω) , q q −1 2 2 κs (1 − φ) kp(t)kL2 (Ω) 6 kp(t)k(1−φ)2 /κs 6 κ−1 s (1 − φ) kp(t)kL2 (Ω) . Proof. We use the following: kψk2L2 (Ω) = −1 ρ−1 kψk2ρf φ . f φ R 2 −1 −1 )(ρ φ) dx f Ω ψ (ρf φ 6 All inequalities are proved analogously. Theorem 2. There exists a unique solution (vf , p, ys , vs ) in L2 (0, T ; Vf,h ) × L∞ (0, T ; Qp,h ) × L∞ (0, T ; Vs,h ) × L∞ (0, T ; Qv,h ) of problem (21). Proof. We test system (19) with the solution as (vf (t), p(t), ∂t ys (t), vs (t)) and sum the first three equations to obtain the following: 1 (1 − φ)2 ∂t (ρf φvf (t), vf (t)) + p(t), p(t) + (ρs (1 − φ)vs (t), vs (t)) 2 κs +(φσvis (vf (t)), ε(vf (t))) + c(vf (t), vf (t)) − (θ(t)vf (t), vf (t)) − 2c(∂t ys (t), vf (t)) +(σskel (ys (t)), ε(∂t ys (t))) + c(∂t ys (t), ∂t ys (t)) = 0. (23) As in the existence proof, we use Young’s inequality with c(x, y) and hypothesis (H2) to obtain 1 (1 − φ)2 0 > ∂t (ρf φvf (t), vf (t)) + p(t), p(t) + (ρs (1 − φ)vs (t), vs (t)) 2 κs + (σvis (vf (t)), ε(vf (t))) − (θ(t)vf (t), vf (t)) + (σskel (ys (t)), ε(∂t ys (t))) 1 (1 − φ)2 > ∂t (ρf φvf (t), vf (t)) + p(t), p(t) + (ρs (1 − φ)vs (t), vs (t)) 2 κs +(σskel (ys (t)), ε(ys (t)))) + (σvis (vf (t)), ε(vf (t))) − (θ(t)vf (t), vf (t)). 32 linearized poromechanics Integrating in time in (0, s) and using Lemma 6, we obtain the following inequality for a general positive constant C: (1 − φ)2 p(s), p(s) + (ρs (1 − φ)vs (s), vs (s)) κs Zs + (σskel (ys (s)), ε(ys (s))) + αf kvf (s)k2H1 (Ω) ds 0 2 2 > C kvf (t)kL2 (Ω) + kp(t)kL2 (Ω) + kvs (t)k2L2 (Ω) +kys (t)k2H1 (Ω) + kvf (t)k2L(0,s;H1 (Ω)) > 0, 0 > (ρf φvf (s), vf (s)) + which holds for every t > 0. We thus conclude that kvf kL∞ (0,T ;L2 (Ω)) = kvf kL2 (0,T ;H1 (Ω)) = kpkL∞ (0,T ;L2 (Ω)) = kvs kL∞ (0,T ;L2 (Ω)) = kys kL∞ (0,T ;H1 (Ω)) = 0. In particular, we get that all functions (vf , p, ys , vs ) are zero in the L∞ (0, T ; L2 (Ω)) topology. 3.2.2 Stability analysis of the semi-discrete problem In this section we prove that the solution of the semi-discrete problem (21) is upper bounded with respect to the data, which is equivalent to the well-posedness in the sense of Hadamard [91]. This result will be used in Section 3.3 for the proof of existence of solutions of the continuous problem. For this, we proceed as in Section 3.2.1 but using non null data instead: 1 (1 − φ)2 ∂t (ρf φvf (t), vf (t)) + p(t), p(t) + (ρs (1 − φ)vs (t), vs (t)) 2 κs + (σskel (ys (t)), ε(ys (t)))) + (σvis (vf (t)), ε(vf (t))) − (θ(t)vf (t), vf (t)) 1 6 (ρf φf(t), vf (t)) + (θ(t), p(t)) + (ρs (1 − φ)f(t), vs (t)). ρf (24) Throughout this section we denote with c = c(ρf , ρs , φ, κs , αs , αf ) a data dependent constant used for lower bounds and with C = C(ρf , ρs , φ, κs , λ, µ, µf ) another one for upper bounds. We will make use of Young’s generalized inequality for every > 0: (a, b)X 6 3.2 analysis of the semi-discrete problem 33 1 + 2 kbk2X . Consider > 0, then from (24) we first expand the right hand side (r.h.s): 1 r.h.s 6 kf(t)k2ρf φ + kθ(s)k2L2 (Ω) + kf(t)k2ρs (1−φ) + kvf (t)k2ρf φ + kp(t)k2L2 (Ω) + kvs (t)k2ρs (1−φ) C 6 kf(t)k2L2 (Ω) + kθ(s)k2L2 (Ω) + C kvf (t)k2L2 (Ω) + kp(t)k2L2 (Ω) + kvs (t)k2L2 (Ω) . (25) 2 2 kakX Integrating in time in (0, t), the left hand side (l.h.s) of (24) with hypothesis (H2) and Lemma 6 becomes Zt l.h.s > kvf (s)k2ρf φ + kp(s)k2(1−φ)2 + kvs (s)k2ρs (1−φ) 0 κs s=t Zt +(σs (ys (s)), ε(ys (s)))) + αf kvf (s)k2H1 (Ω) ds 0 s=0 2 2 > c kvf (t)kL2 (Ω) + kp(t)kL2 (Ω) + kvs (t)k2L2 (Ω) Zt 2 2 +kys (t)kH1 (Ω) + kvf (s)kH1 (Ω) ds 0 2 − C kvf (0)kL2 (Ω) + kp(0)k2L2 (Ω) + kvs (0)k2L2 (Ω) + kys (0)k2H1 (Ω) . (26) Using the right hand side upper bound (25) and the left hand side lower bound (26) on estimate (24) we obtain: c kvf (t)k2L2 (Ω) + kp(t)k2L2 (Ω) + kvs (t)k2L2 (Ω) Zt 2 2 +kys (t)kH1 (Ω) + kvf (s)kH1 (Ω) ds 0 Z C t kf(s)k2L2 (Ω) + kθ(s)k2L2 (Ω) ds 6 0 + C kvf (0)k2L2 (Ω) + kp(0)k2L2 (Ω) + kvs (0)k2L2 (Ω) + kys (0)k2H1 (Ω) Zt + C kvf (t)k2L2 (Ω) + kp(t)k2L2 (Ω) + kvs (t)k2L2 (Ω) ds. 0 RT (27) Taking the supremum of t in (0, T ) and using the upper bound 0 ϕ(s) ds 6 T |ϕ|∞ we obtain the following estimate: (c − CT ) kvf k2L∞ (0,T ;L2 (Ω)) + kp k2L∞ ((0,T ;L2 (Ω)) + kvs k2L∞ (0,T ;L2 (Ω)) + c kys kL∞ (0,T ;H1 (Ω)) + kvf k2L2 (0,T ;H1 (Ω)) C 2 kfkL2 (0,T ;L2 (Ω)) + kθk2L2 (0,T ;L2 (Ω)) 6 + C kvf (0)k2L2 (Ω) + kp(0)k2L2 (Ω) + kvs (0)k2L2 (Ω) + kys (0)k2H1 (Ω) , 34 linearized poromechanics where we choose = c 2CT , thus obtaining the following estimate. kvf k2L∞ (0,T ;L2 (Ω)) + kvf k2L2 (0,T ;H1 (Ω)) + kys kL∞ (0,T ;H1 (Ω)) + kpk2L2 ((0,T ;L2 (Ω)) + kvs k2L2 (0,T ;L2 (Ω)) 6 C̃T kfk2L2 (0,T ;L2 (Ω)) + kθk2L2 (0,T ;L2 (Ω)) + C̃ kvf (0)k2L2 (Ω) + kp(0)k2L2 (Ω) +kvs (0)k2L2 (Ω) + kys (0)k2H1 (Ω) , (28) where C̃ = 2 max{C, C2 }c−1 . Now we extend the previous estimate to include time derivatives, which will be useful later when we apply the Faedo-Galerkin method [156] to show the existence of solutions at the continuous level. First from the fluid equation in (21) we obtain the following bound for every test function v∗f in H10 (Ω): (ρf φ∂t vf (t), v∗f ) 6 C kf(t)k(H1 (Ω)) 0 + kp(t)kL2 (Ω) 0 +k∂t ys (t)kL2 (Ω) + kvf (t)kH1 (Ω) kv∗f k1,Ω . Thus, since for all S in (H10 (Ω)) 0 we have kSk(H1 (Ω)) 0 = 0 S(v) , kvkH1 (Ω) v∈H1 (Ω),v6=0 sup 0 0 using Lemma 6, ∂t ys = vs , taking the supremum on kv∗f kH1 (Ω) = 1 and then squares on both sides we get kρf φ∂t vf (t)k2(H1 (Ω)) 0 0 6 C kf(t)k2(H1 (Ω)) 0 + kp(t)k2L2 (Ω) + kvs (t)k2L2 (Ω) + kvf (t)k2H1 (Ω) . 0 (29) Similarly, from the solid momentum we get for every test function ws in H10 (Ω) that (ρs (1 − φ)∂t vs (t), ws ) 6 C kys (t)kH1 (Ω) + k∂t ys (t)kL2 (Ω) + kvf (t)k2L2 (Ω) +kp(t)kL2 (Ω) + kf(t)k(H1 (Ω)) 0 kws kH1 (Ω) , 0 and taking the supremum on kws kH1 (Ω) = 1 we obtain kρs (1 − φ)∂t vs (t)k2(H1 (Ω)) 0 0 6 C(kys (t)k2H1 (Ω) + kvs (t)k2L2 (Ω) + kvf (t)k2L2 (Ω) + kp(t)k2L2 (Ω) + kf(t)k2(H1 (Ω)) 0 ). 0 (30) 3.2 analysis of the semi-discrete problem From the mass conservation equation, we obtain for every test function q in H1 (Ω) that (1 − φ)2 ∂t p(t), q κs 6 C kθ(t)kL2 (Ω) + kvs (t)kL2 (Ω) + kvf (t)kL2 (Ω) kqkH1 (Ω) , thus taking supremum on kqkH1 (Ω) we obtain 2 k(1 − φ)2 κ−1 s ∂t p(t)k(H1 (Ω)) 0 6 C kθ(t)k2L2 (Ω) + kvs (t)k2L2 (Ω) + kvf (t)k2L2 (Ω) . (31) As vs = ∂t ys , we analogously get for v∗s in L2 (Ω) that k(1 − φ)∂t ys (t)k2L2 (Ω) = k(1 − φ)vs (t)k2L2 (Ω) 6 Ckvs (t)k2L2 (Ω) . (32) Finally, using estimates (28), (29), (30), (31) and (32), weighted by positive constants α1 , α2 , α3 and α4 respectively combined with (28) and kf(t)k(H1 (Ω)) 0 6 kf(t)kL2 (Ω) we get the following estimate: 0 α1 kρf φ∂t vf kL2 (0,T ;(H1 (Ω)) 0 ) + α2 kρs (1 − φ)∂t vs kL2 (0,T ;(H1 (Ω)) 0 ) 0 + α3 k(1 − φ)2 κ−1 s ∂t pkL2 (0,T ;(H1 (Ω)) 0 ) 0 + α4 k(1 − φ)∂t ys k2L2 (0,T ;L2 (Ω)) + (1 − [α1 + α2 + α3 ]C)kvf k2L∞ (0,T ;L2 (Ω)) + (1 − α1 C)kvf k2L2 (0,T ;H1 (Ω)) + (1 − α2 C)kys kL∞ (0,T ;H1 (Ω)) + (1 − [α1 + α2 ]C)kpk2L2 ((0,T ;L2 (Ω)) + (1 − [α1 + α2 + α3 + α4 ]C)kvs k2L2 (0,T ;L2 (Ω)) 6 C kfk2L2 (0,T ;L2 (Ω)) + kθk2L2 (0,T ;L2 (Ω)) + C̃ kvf (0)k2L2 (Ω) + kp(0)k2L2 (Ω) +kvs (0)k2L2 (Ω) + kys (0)k2H1 (Ω) , (33) where C = max{C̃T , C}. Choosing (αi )4i=1 such that 1 − [α1 + α2 + α3 + α4 ]C > 1/2, 1 − [α1 + α2 + α3 ]C > 1/2, 1 − α1 C > 1/2, 1 − α2 C > 1/2 and 1 − [α1 + α2 ]C > 1/2, i.e. αi = 1/8C for all i, we can give a complete energy estimate, which we state in the following theorem (we restore the subindex h for readability). 35 36 linearized poromechanics Theorem 3. There exists unique solution to problem (21) which satisfies the following a priori estimate: kρf φ∂t vf,h kL2 (0,T ;(H1 (Ω)) 0 ) + kρs (1 − φ)∂t vs,h kL2 (0,T ;(H1 (Ω)) 0 ) 0 0 + k(1 − φ)2 κ−1 s ∂t ph kL2 (0,T ;(H1 (Ω)) 0 ) + k(1 − φ)∂t ys,h k2L2 (0,T ;(H1 (Ω)) 0 ) 0 + kvf,h k2L∞ (0,T ;L2 (Ω)) + kvf,h k2L2 (0,T ;H1 (Ω)) + kys,h kL∞ (0,T ;H1 (Ω)) + kph k2L2 (0,T ;L2 (Ω)) + kvs,h k2L2 (0,T ;L2 (Ω)) 6 C kfk2L2 (0,T ;L2 (Ω)) + kθk2L2 (0,T ;L2 (Ω)) + C̃ kvf,h (0)k2L2 (Ω) + kph (0)k2L2 (Ω) +kvs,h (0)k2L2 (Ω) + kys,h (0)k2H1 (Ω) . (34) 3.3 analysis of the continuous problem In this section we prove that there exists a unique solution of problem (17). For this we use a Faedo-Galerkin argument, which consists in proving that a discrete solution converges to a limit that solves the continuous problem. Typical Faedo-Galerkin schemes use the finite dimensional spaces generated by the eigenvectors of the problem [72], but other discrete constructions, such as Galerkin schemes are acceptable [156], the latter being the approach we use. Here we recall 2 that a sequence fn |∞ n=1 in L (I, X), with I ⊂ R and X Banach space, 2 converges weakly to f in L (I, X), written fn * f, if and only if ZT ZT (Θ, fn )X → (Θ, f)X ∀Θ ∈ L2 (I, X 0 ). 0 0 0 |∞ fn n=1 L2 (I, X 0 ) 0 0 A sequence in converges weakly to f 0 in L2 (I, X 0 ) (or ∗ 0 * f 0 , if and only if weakly*), written fn ZT ZT 0 (fn , x) → (f 0 , x) ∀x ∈ L2 (I, X), and further note that weak convergence implies weak convergence in the dual space thanks to the Riesz isometry. We will make use of the Banach-Alaoglu-Bourbaki Theorem, which states that the closed ball is weakly compact [43]. The Faedo-Galerkin technique, used in the following Lemma, which consists in (i) obtaining an estimate which gives the inclusion of the solution in a closed ball, (ii) using such inclusion to apply the Banach-Alaoglu-Bourbaki [43, Theorem 3.16] theorem to extract a weakly (or weakly*) convergent subsequence and (iii) proving that the limit function is a solution of the problem. Lemma 7. There exists a solution (vf , p, ys , vs ) in H10 (Ω) × L20 (Ω) × H10 (Ω) × L2 (Ω) to problem (17) that satisfies the energy estimate (34). 3.3 analysis of the continuous problem 37 Proof. Consider a solution (vf,h , ph , ys,h , vs,h ) in Vf,h × Qp,h × Vs,h × Qv,h of problem (21), then in virtue of estimate (34) we use the BanachAlaoglu-Bourbaki theorem to obtain a subsequence (vf,h 0 , ph 0 , ys,h 0 , vs,h 0 )|h 0 >0 , in which we replace h 0 with h for simplicity, such that: ∂t vf,h * ∂t vf ∈ L2 (0, T ; (H10 (Ω)) 0 ), vf,h * vf ∈ L2 (0, T ; H10 (Ω)), ys,h * ys ∈ L2 (0, T ; H10 (Ω)), ∂t ys,h * ∂t ys ∈ L2 (0, T ; (L2 (Ω)) 0 ), ∂t vs,h * ∂t vs ∈ L2 (0, T ; (H10 (Ω)) 0 ), vs,h * vs ∈ L2 (0, T ; L2 (Ω)), ph * p ∈ L2 (0, T ; L2 (Ω)). (35) We obtain convergence of all linear forms as follows: Consider the test ∗ functions ϕ in C∞ 0 (0, T ) (compactly supported functions in (0, T )), vf,h in Vf,h , qh in Qp,h , ws,h in Vs,h and v∗s,h in Qv,h . With them, we use the weak convergence results from Theorem 3 and extract convergent subsequences as in (35) to proceed as follows: (i) Limit of the fluid equation terms: ZT 0 (φ∂t vf,h , ϕ(t)v∗f,h ) dt ZT (φ∂t vf (t), ϕ(t)v∗f,h ) dt → 0 as ∂t vf,h converges in L2 (0, T ; (H10 (Ω)) 0 ), ZT 0 (σvis (vf,h (t)), ϕ(t)ε(v∗f,h )) dt ZT → 0 (σvis (vf (t)), ϕ(t)ε(v∗f,h )) dt as vf,h converges in L2 (0, T ; H10 (Ω)), ZT (φ 0 2 ∗ [κ−1 f − θI]vf,h (t), ϕ(t)vf,h ) dt ZT → 0 ∗ (φ2 [κ−1 f − θI]vf (t), ϕ(t)vf,h ) dt as vf,h converges in L2 (0, T ; L2 (Ω)) and ZT 0 ∗ (φ2 κ−1 f vs,h (t), ϕ(t)vf,h ) ZT → 0 ∗ (φ2 κ−1 f vs (t), ϕ(t)vf,h ) dt as vs,h converges in L2 (0, T ; L2 (Ω)). (ii) Limit of the mass conservation terms, understood in integral form (1 − φ)2 p(t) = κs (1 − φ)2 ΠQp,h p(0) + ρ−1 f θ κs Zt − div(φvf (s)) ds + div((1 − φ)[ys (t) − ΠVs,h ys (0)]) : 0 ZT 0 (1 − φ)2 ph , ϕ(t)qh κs ZT dt → 0 (1 − φ)2 p, ϕ(t)qh κs dt 38 linearized poromechanics as ph converges in L2 (0, T ; L2 (Ω)), ZT Zt ZT Zt (div(φvf,h (s)), ϕ(t)qh ) ds dt → (div(φvf (s)), ϕ(t)qh ) ds dt 0 0 0 0 as vf,h converges in L2 (0, T ; H10 (Ω)) and ZT ZT (div((1 − φ)ys,h (t)), ϕ(t)qh ) dt → (div((1 − φ)ys (t)), ϕ(t)qh ) dt 0 0 L2 (0, T ; H10 (Ω)), where for the second term there as ys,h converges in is an extra intermediate step. We define the functional Zt Fqh (t) (vf,h ) = (div(φvf,h (s)), qh (t)) ds, 0 which is bounded by using hypothesis (H1) and Cauchy-Schwartz: ZT Fqh (t) (vf,h ) 6 Cφ kvf,h kH1 (Ω) kqh (t)kL2 (Ω) ds 0 6 Cφ kvf,h kL2 (0,T ;H1 (Ω)) kqh (t)kL2 (0,T ;L2 (Ω)) . The result is an application of weak convergence to the functional Fqh (t) . (iii) Limit of the solid equation terms: ZT ZT ((1 − φ)∂t vs,h (t), ϕ(t)ws,h ) dt → ((1 − φ)∂t vs (t), ϕ(t)ws,h ) dt 0 0 as ∂t vs,h converges in L2 (0, T ; (H10 (Ω)) 0 ), ZT ZT (CHooke ε(ys,h (t)), ϕ(t)ws,h ) dt → (CHooke ε(ys (t)), ϕ(t)ws,h ) dt 0 0 as ys,h converges in L2 (0, T ; H10 (Ω)), ZT ZT (φ2 κ−1 v (t), ϕ(t)w ) → (φ2 κ−1 s,h s,h f f vs (t), ϕ(t)ws,h ) dt 0 0 as vs,h converges in L2 (0, T ; L2 (Ω)) and ZT ZT (φ2 κ−1 v (t), ϕ(t)w ) → (φ2 κ−1 f,h s,h f f vf (t), ϕ(t)ws,h ) dt 0 0 as vf,h converges in L2 (0, T ; H10 (Ω)). (iv) Limit of the solid velocity terms: ZT ZT ((1 − φ)∂t ys,h (t), ϕ(t)vs,h ) dt → ((1 − φ)∂t ys (t), ϕ(t)vs,h ) dt 0 0 as ∂t ys,h converges in L2 (0, T ; L2 (Ω)) and ZT ZT ((1 − φ)vs,h (t), ϕ(t)vs,h ) dt → ((1 − φ)vs (t), ϕ(t)vs,h ) dt 0 0 3.3 analysis of the continuous problem 39 as vs,h converges in L2 (0, T ; L2 (Ω)). Finally, all time integrals in (0, T ) can be removed due to the fact ∞ 2 that ϕ belongs to C∞ c (0, T ) and that Cc (0, T ) ⊗ X is dense in L (0, T ; X) [156]. As a consequence, the limit functions are a solution of the following problem: ∗ (φ∂t vf , v∗f,h ) + (φσf , ε(v∗f )) + ([φ2 κ−1 f − θI]vf , vf,h ) (1 − φ)2 p, qh + κs Zt 0 ∗ ∗ −(φ2 κ−1 f ∂t ys , vf,h ) = (φf, vf,h ), (div(φvf (s)), qh ) ds +(div((1 − φ)(ys − ΠVs,h ys (0))), qh ) ds = (ρ−1 f θ, qh ), ((1 − φ)∂t vs , ws,h ) + (σs , ε(ws,h )) + (φ2 κ−1 f ∂t ys , ws,h ) −(φ2 κ−1 f vf , ws,h ) = ((1 − φ)f, ws,h ), ((1 − φ)∂t ys , v∗s,h ) − ((1 − φ)vs , v∗s,h ) = 0, (36) for all test functions (v∗f,h , qh , ws,h , v∗s,h ) in Vf,h × Qp,h × Vs,h × Qv,h . Finally, as we are using conforming approximations, and thus for every test function (v∗f , q, ws , v∗s ) in H10 (Ω) × L20 (Ω) × H10 (Ω) × L2 (Ω) there exists a sequence of functions (v∗f,h , qh , ws,h , v∗s,h ) in Vf,h × Qp,h × Vs,h × Qv,h , such that (v∗f,h , qh , ws,h , v∗s,h ) → (v∗f,h , qh , ws,h , v∗s,h ) strongly in h. We thus obtain that (36) also holds for all test functions (v∗f , q, ws , v∗s ) in H10 (Ω) × L20 (Ω) × H10 (Ω) × L2 (Ω), which proves the existence. Finally, the energy estimate (34) uses only the regularity of the continuous functions, which concludes the proof. Remark. The conservation of mass is satisfied in integral form (1 − φ)2 (1 − φ)2 p(t) = ΠQp,h p(0) κs κs Zt −1 + ρf θ − div(φvf (s)) ds + div (1 − φ)(ys (t) − ΠVs,h ys (0)) 0 as an equality in L2 (Ω); however, the corresponding differential form ∂t p + div(φvf + (1 − φ)vs ) = ρ−1 f θ, is only satisfied in (H1 (Ω)) 0 . Indeed, the term div vs belongs to (H1 (Ω)) 0 , and no extra regularity can be obtained a priori for the solid velocity. In such cases, p is also referred to as a mild solution. It is also possible to write the problem for a pressure in L2 (0, T ; (H1 (Ω)) 0 ), and as ∂t p was shown to be in L2 (0, T ; (H1 (Ω)) 0 ) as well, we would have higher regularity in time by lowering the spatial regularity. In other words, p belongs to C(0, T ; (H1 (Ω)) 0 ) ∩ L2 (0, T ; L2 (Ω)) due to the continuous embedding H1 (0, T ; X) ⊂ C([0, T ]; X), where X is an arbitrary Banach space and C(I, X) is the space of continuous functions from I ⊂ R to X. 40 linearized poromechanics We now verify that the solutions constructed in Lemma 7 are consistent with the initial conditions of the discrete problem (21). Lemma 8. The initial condition of the previously constructed solution is the weak limit of the initial condition of the discrete solution. Proof. From now on we consider a function ϕ in C∞ c ([0, T ]) such that ϕ(T ) = 0 and ϕ(0) = 1. With this, for a general function u in L2 (0, T ; X) with ∂t u in L2 (0, T ; X 0 ) and a function v in X we get ZT ZT h∂t u, ϕviX 0 ,X dt = (u(0), v) − 0 ∂t ϕ(u, v) dt. (37) 0 We now write all equations in (36) and (21) as follows: ZT ZT 0 (φ∂t vf , ϕv∗f,h ) dt = ZT 0 ZT (φ∂t vf,h , ϕv∗f,h ) dt = 0 ZT ZT 2 (1 − φ) p, ϕqh dt = κs 0 0 ZT ZT (1 − φ)2 ph , ϕqh = κs 0 0 ZT ZT ((1 − φ)∂t vs , ϕws,h ) dt = 0 0 ZT 0 ZT ((1 − φ)∂t vs,h , ϕws,h ) dt = 0 ((1 − φ)∂t ys , ϕvs,h ) dt = ZT 0 0 ZT ((1 − φ)∂t ys,h , ϕvs,h ) dt = 0 Ff (vf,h , ys,h , vs,h , v∗f,h ) dt, ϕFp (p, vf , ys , qh ) dt, ϕFp (ph , vf , ys , qh ) dt, Fs (vf , ys , vs , ws,h ) dt, Fs (vf,h , ys,h , vs,h , ws,h ) dt, 0 ZT ZT Ff (vf , ys , vs , v∗f,h ) dt, 0 Fv (vf , ys , vs , v∗s,h ) dt, Fv (vf,h , ys,h , vs,h , v∗s,h ) dt, for all (v∗f,h , qh , ws,h , v∗s,h ) in Vf,h × Qp,h × Vs,h × Qv,h . From them, using (37) we can take the limit of the discrete solution for every discrete test function: ZT ∂t ϕ(vf , v∗f,h ) dt + ZT (vf (0), vf,h ) = ϕFf (vf , ys , vs , v∗f,h ) dt 0 0 ZT ZT ∗ = lim (vf,h , ∂t ϕvf,h ) dt + ϕFf (vf,h , ys,h , vs,h , v∗f,h ) dt h→0 0 0 = lim (ΠVf,h vf (0), v∗f,h ). h→0 This ensures consistency for every v∗f,h in Vf,h , and by density we obtain the consistency of the initial condition. Proceeding analogously for ∂t ys and ∂t vs gives the desired result. Note that the pressure does not require such procedure, as the initial condition appears explicitly in the integral equation. Corollary 1. The previously constructed solution is unique. 3.4 error analysis of a fully discrete formulation 41 Proof. Consider two solutions with the same forcing terms and the same initial conditions. The problem that arises by considering their difference due to linearity has null datum, and using the energy estimate (34) we see that the solution is null. We have thus proved the following theorem, which is the main result of this section. Theorem 4. There exists a unique solution (vf , p, ys , vs ) in L2 (0, T ; H10 (Ω)) × L2 (0, T ; L20 (Ω)) × L2 (0, T ; H10 (Ω)) × L2 (0, T ; L2 (Ω)) of problem (21) which satisfies the energy estimate (34) and is consistent with the initial data. 3.4 error analysis of a fully discrete formulation We consider, as in Section 3.2, a family of triangulations {Th }h>0 of symplexes K of characteristic size h and the discrete spaces Vf,h , Vs,h , Qp,h , with the added regularity of Qv,h = Vs,h . We also define the full spaces X = H10 (Ω) × L20 (Ω) × H10 (Ω) × H10 (Ω) and Xh = Vf,h × Qp,h × Vs,h × Qv,h with norm k(vf , p, ys , vs )k2X := kvf k2H1 (Ω) + kpk2L2 (Ω) + kys k2H1 (Ω) + kvs k2H1 (Ω) , k k 1 k and set the projections P0,h : L2 (Ω) → Xk h , P1,h : H (Ω) → Xh together with their approximation properties [156]: k vk ` • (APH,1 ): kv − P1,h 1,Ω 6 Ch |vf |`+1,Ω , 1 6 ` 6 k for each vf in `+1 H (Ω). k vk `+1 |v| • (APH,0 ): kv − P1,h 0,Ω 6 Ch `+1,Ω , 1 6 ` 6 k for each v `+1 in H (Ω). k qk `+1 |q| • (APL ): kq − P0,h 0,Ω 6 Ch `+1,Ω , 1 6 ` 6 k for each q in `+1 H (Ω). We split the time interval [0, T ] uniformly into t0 = 0, t1 = ∆t, ..., tN = N∆t = T with timestep ∆t and for simplicity we will use from now on the notation Φn := Φ(tn ). We use a backward Euler finite difference approximation for the time derivatives: un − un−1 =: D∆t un , ∆t which gives the following fully discrete formulation proposed in [50] n−1 n−1 n−1 with a different order of test spaces: Given (vn−1 , ys,h , vs,h ) f,h , ph n n n n in Xh , find (vf,h , ph , ys,h , vs,h ) in Xh such that ∂t u(tn ) ≈ ∗ n ∗ ∗ (D∆t vn f,h , vf,h )ρf φ + af (vf,h , vf,h ) − (ph , div(φvf,h )) ∗ ∗ + c(vf,h − vn s,h , vf,h ) = (f, vf,h )ρf φ , n n (D∆t pn h , qh ) (1−φ)2 + (qh , div(φvf,h + (1 − φ)vs,h )) = (θ, qh ) 1 , κs ρf n n (D∆t vn s,h , ws,h )ρs (1−φ) + as (ys,h , ws,h ) − (ph , div((1 − φ)ws,h )) n − c(vn f,h − vs,h , ws,h ) = (f, ws,h )ρs (1−φ) , ∗ n ∗ as (D∆t yn s,h , vs,h ) − as (vs,h , vs,h ) = 0, (38) 42 linearized poromechanics for all v∗f,h ∈ Vf,h , qh ∈ Qp,h , ws,h ∈ Vs,h , v∗s,h ∈ Qv,h , and where af (vf,h , v∗f,h ) = (σf (vf,h ), ε(v∗f,h )) − (θvf,h , v∗f,h ), as (ys,h , ws,h ) = (σs (ys,h ), ε(ws,h )), c(a, b) = (φ2 κ−1 f a, b), (a, b)ζ = (ζa, b). A fully implicit (Backward Euler) time discretization is an adequate choice for the parabolic part of the problem, namely the momentum equation of the fluid phase and the mass balance equation. However, it might not be appropriate for the momentum equation of the solid phase, as it violates the intrinsic energy conservation property of elastodynamics. In this respect, other approaches may be adopted for the solid phase, such as the classical Newmark scheme or a mid-point rule as in [49, 93]. Remark. The equation D∆t ys,h = vs,h has been weakly enforced using the bilinear form as . This was also done in [50] and presents advantages during the error analysis with the cost of requiring a higher order of approximation and higher regularity assumptions for the solid velocity. The error analysis can also be carried out for the L2 inner product for the solid velocity with the strategy we use in what follows, but the convergence rates obtained that way are suboptimal. We start by showing that problem (38) is well-posed. n n n Lemma 9. For every n > 1, there exists a unique solution (vn f,h , ph , ys,h , vs,h ) in Xh of problem (38). n n n Proof. Consider the test function x∗h = (vn f,h , ph , vs,h , ys,h ) and denote the right hand side generically as F(v∗f,h , qh , ws,h , v∗s,h ), which gives 2 n 2 ∆t−1 (kvn f,h kρf φ + kph k(1−φ)2 /κ s 2 + kvn s,h kρs (1−φ) 2 n n + kyn s,h kas ) + af (vf,h , vf,h ) n n n 6 F(vn f,h , ph , vs,h , ys,h ). First note that if F = 0, then the only solution is xh = 0. We can then conclude from the discrete Fredholm Alternative Theorem that the son n n lution is unique. The same inequality gives that (vn f,h , ph , ys,h , vs,h ) k+1 d belongs to Vf,h × Qp,h × Vs,h × (L2 (Ω) ∩ {vn s,h |∂Ω = 0} ∩ [Xh ] ). Finally the last equation gives as (vn s,h , ws,h ) sup ws,h ∈Vs,h kws,h kH1 (Ω) q −as (D∆t yn s,h , ws,h ) n = as (D∆t yn s,h , D∆t ys,h ), kws,h kH1 (Ω) q n as (vn s,h , vs,h ) = = sup ws,h ∈Vs,h which gives vn s,h in Qv,h . 3.4 error analysis of a fully discrete formulation 43 We will use the discrete Gronwall Lemma, which we recall for reference [156]. Lemma 10 (Discrete Gronwall Lemma). Consider g0 > 0 and a sequence ∞ (pn )∞ n=0 such that pn > 0. If (fn )n=0 is such that f0 6 g 0 and fn 6 g 0 + n−1 X ps + s=0 then fn 6 g0 + n−1 X ! ps exp n−1 X k s fs , s=0 n−1 X s=0 ! ks . s=0 We also make use of the following tools for the analysis of the approximation properties in time. Lemma 11. For any symmetric bilinear form b: 1 1 b(ϕn , D∆t ϕn ) = D∆t b(ϕn , ϕn ) + ∆t b(D∆t ϕn , D∆t ϕn ). (39) 2 2 Lemma 12. The following inequality holds for a backwards difference approximation in a Hilbert space H: kD∆t ϕ − ∂t ϕk`∞ (0,T ;H) 6 ∆tk∂tt ϕkL∞ (0,T ;H) ∀ϕ ∈ W 2,∞ (0, T ; H). R tn 1 Proof. The Fundamental Theorem of Calculus gives D∆t ϕn = ∆t tn−1 ∂t ϕ(s) ds, R R and so using the monotonicity of the integral k I · drkH 6 I k · kH dr we obtain: n kD∆t ϕ Z tn − ∂t ϕn k2H 1 =k ∆t Z tn tn−1 (∂t ϕ(s) − ∂t ϕn ) dsk2H 2 1 k∂t ϕ(s) − ∂t ϕn kH ds tn−1 ∆t 2 Z Z tn 1 tn ∂tt ϕ(r) dr ds = ∆t tn−1 s H 2 Z Z tn 1 tn k∂tt ϕ(r)kH drds 6 ∆t tn−1 s k∂tt ϕkL∞ (tn−1 ,tn ;H) 2 2 6 ∆t ∆t 6 6 ∆t2 k∂tt ϕk2L∞ (0,T ;H) . Taking the supremum on n and square root gives the conclusion. Corollary 2. Consider two Hilbert spaces Z ⊂ H and an interpolation operator Ih : H → Hh into a conforming discretization Hh such that kϕ − Ih ϕkH 6 Chk kϕkZ , 44 linearized poromechanics then it holds that kD∆t Ih ϕ − ∂t ϕk`∞ (0,T ;H) 6 max{CkϕkL∞ (0,T ;Z) , k∂tt ϕkL∞ (0,T ;H) }(hk + ∆t) ∀ϕ ∈ W 2,∞ (0, T ; H). Proof. It follows directly from Lemma 12 and the decomposition ∂t ϕ − D∆t Ih ϕ = ∂t ϕ − D∆t ϕ + D∆t ϕ − D∆t Ih ϕ. We then write problem (7) as finding x = (vf , p, ys , vs ) in X such that E(∂t x, x∗ ) + H(x, x∗ ) = F(x∗ ) ∀x∗ := (v∗f , q, ws , v∗s ) ∈ X, (40) where in analogy with the notation used in Section 3.2.1 we define the bilinear forms E(∂t x, x∗ ) := (∂t vf , v∗f )ρf φ + (∂t p, q)(1−φ)2 /κs + (∂t vs , ws )ρs (1−φ) + as (∂t ys , v∗s ), H(x, x∗ ) := af (vf , v∗f ) + as (ys , ws ) − as (vs , v∗s )ρs (1−φ) + c(vf − vs , v∗f − ws ) − (p, div(φv∗f + (1 − φ)ws )) + (q, div(φvf + (1 − φ)vs )), and set its discrete counterpart as: Given xn−1 in Xh , find xn h = h n n n n (vf,h , ph , ys,h , vs,h ) in Xh such that ∗ n ∗ ∗ E(D∆t xn h , xh ) + H(xh , xh ) = F(xh ) ∀x∗h := (v∗f,h , qh , ws,h , v∗s,h ) ∈ Xh . (41) We proceed by showing the invertibility of H, for which we add the following hypothesis, recalling that the bilinear form c(·, ·) = (φ2 κ−1 f ·, ·): (H4) The permeability tensor κf is large enough: ∃Csk : as (ws , ws ) − c(ws , ws ) > Csk kws k2H1 (Ω) ∀ws ∈ H10 (Ω). Theorem 5. Under assumptions (H1), (H2), (H3) and (H4) it holds that the problem of finding xh in Xh such that H(xh , x∗h ) = F(x∗h ) ∀x∗h ∈ Xh is well-posed for every F in Xh0 . Moreover, if x̃ is the function such that H(x̃, x∗ ) = F(x∗ ) ∀x∗ ∈ X, then, defining Z = Hk+2 (Ω) × Hk+1 (Ω) × Hk+2 (Ω) × Hk+2 (Ω), the following holds for a positive problem dependent constant C: kx̃ − xh kX 6 Chk+1 kx̃kZ . 3.4 error analysis of a fully discrete formulation 45 Proof. Let Vh = Vf,h × Vs,h × Qv,h and Qh = Qp,h with bilinear forms A((vf,h , ys,h , vs,h ), (v∗f,h , ws,h , v∗s,h )) = as (vf,h , v∗f,h ) + as (ys,h , ws,h ) + as (vs,h , v∗s,h ) + c(vf,h − vs,h , v∗f,h − ws,h ), B1 ((v∗f,h , ws,h , v∗s,h ), qh ) = (qh , div(φv∗f,h + (1 − φ)ws,h )), B2 ((v∗f,h , ws,h , v∗s,h ), qh ) = (qh , div(φv∗f,h + (1 − φ)vs,h )). Note that, using Young’s inequality we obtain the following: c(vf,h − vs,h , vf,h − ws,h ) = c(vf,h , vf,h ) − c(vf,h , ws,h ) − c(vs,h , vf,h ) + c(vs,h , ws,h ) > c(vf,h , vf,h ) 1 − (c(vf,h , vf,h ) + c(ws,h , ws,h ) + c(vf,h , vf,h ) 2 +c(vs,h , vs,h ) + c(vs,h , vs,h ) + c(ws,h , ws,h )) > −c(vs,h , vs,h ) − c(ws,h , ws,h ), which combined with hypothesis (H4) shows that A is elliptic, and forms B1 and B2 satisfy the hypothesis of Theorem 14 in virtue of Theorem 8. The conclusion comes then from Theorem 14 and the approximation properties (APH,1 ), (APH,0 ), (APL ). We are now ready to address the error estimate for the fully discrete model (38). To this purpose we use the decomposition of the numerical error into the approximation error, denoted with χ, and the remaining truncation error, denoted with ϕ, as follows: n en f = vf (tn ) − vf,h = vf (tn ) − If,h vf (tn ) + If,h vf (tn ) − vn f,h n n = χf + ϕf,h , n en p = p(tn ) − ph = p(tn ) − Ip,h p(tn ) + Ip,h p(tn ) − pn h n = χn p + ϕp,h , n n en s = ys (tn ) − ys,h = ys (tn ) − If,h ys (tn ) + If,h ys (tn ) − ys,h n = χn s + ϕs,h , n en v = vs (tn ) − vs,h = vs (tn ) − If,h vs (tn ) + If,h vs (tn ) − vn s,h n = χn v + ϕv,h , ∂ξ(tn ) , for ξ ∈ {vf , p, ys , vs }, ∂t where all quantities are analogously defined as in the fluid case, with interpolators If,h , Ip,h , Is,h , Iv,h defined as follows. Set the Ritz projection ΠH h : X → Xh as: δ∆t ξn = D∆t Iξ,h ξ(tn ) − ∗ ∗ H(ΠH h x, xh ) = H(x, xh ) ∀x∗h ∈ Xh , 46 linearized poromechanics which is well defined in virtue of Theorem 5, then the interpolation operators are defined as (If,h vf (tn ), Ip,h p(tn ), Is,h ys (tn ), Iv,h vs (tn )) := ΠH h (vf (tn ), p(tn ), ys (tn ), vs (tn )). With these definitions we have the following corollary of Theorem 5, for which we recall that X = H10 (Ω) × L20 (Ω) × H10 (Ω) × H10 (Ω) and Z = Hk+2 (Ω) × Hk+1 (Ω) × Hk+2 (Ω) × Hk+2 (Ω). Corollary 3. If x ∈ W 2,∞ (0, T ; X) ∩ L∞ (0, T ; Z), then the following estimate holds for a problem dependent constant C: n kD∆t ΠH h x − ∂t xk`∞ (0,T ;X) 6 C max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) } hk+1 + ∆t . Proof. This is a direct application of Corollary 2 to the Ritz projector ΠH h. Then our strategy to perform the error analysis can be split into the following steps: (i) Derive equations for the numerical error by subtracting the fully discrete model from the continuous model, (ii) split the error into the approximation and truncation errors, (iii) use the orthogonality properties of the projector ΠH h in order to eliminate the approximation error from the equations and (iv) recover an upper bound for the total error by triangle inequality and approximation properties. We proceed according to the described roadmap. (i) Consider in (40) the test function x∗ = x∗h and then take the differn n n ence with (41) to obtain the error equation. With ex = (en f , e p , es , ev ) we obtain: ∗ ∗ E(∂t x − D∆t xn h , xh ) + H(ex , xh ) = 0 ∀x∗h ∈ Xh . (42) χn χn χn χn (ii) In accordance with our definitions we consider χn x = ( f , p, s , v ) n n n and ϕx,h = (ϕn f,h , ϕp,h , ϕs,h , ϕv,h ). Note that the time error can be written as H H n ∂t x − D∆t xn h = ∂t x − D∆t Πh x + D∆t Πh x − D∆t xh = D∆t ϕx,h − δ∆t x, and so we can rewrite the error equation (42) as ∗ ∗ n ∗ E(D∆t ϕx,h , x∗h ) + H(χn x , xh ) + H(ϕx,h , xh ) = E(δ∆t x , xh ) ∀x∗h ∈ Xh . (43) (iii) By definition we have that H(χx , x∗h ) = 0, which gives an expression more suitable for the analysis: E(D∆t ϕx,h , x∗h ) + H(ϕx,h , x∗h ) = E(δ∆t xn , x∗h ). (44) From here we can obtain an error estimate for the truncation error, which we give in the following lemma. 3.4 error analysis of a fully discrete formulation 47 Lemma 13. Assume that vf , ys , vs in W 2,∞ (0, T ; Hk+2 (Ω)) and p in W 2,∞ (0, T ; Hk+1 (Ω)) as well hypotheses (H1), (H2), (H3) and (H4). Then, there exists a constant C > 0, possibly dependent on the problem parameters, such that: kϕf,h k`∞ (L2 (Ω)) + kϕp,h k`∞ (L2 (Ω)) + kϕv,h k`∞ (L2 (Ω)) + kϕs,h k`∞ (H1 (Ω)) + ∆t(kϕf,h k`2 (H1 (Ω)) + cc kϕf,h − ϕv,h k`2 (L2 (Ω)) ) 6 CT eT max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }(hk+1 + ∆t). (45) Proof. The test function x∗h = ϕx,h in (44) yields n n n n n (D∆t ϕn f,h , ϕf,h )ρf φ + (D∆t ϕp,h , ϕp,h )(1−φ)2 /κs + (D∆t ϕv,h , ϕv,h )ρs (1−φ) n n n n n + as (D∆t ϕn s,h , ϕs,h ) + af (ϕf,h , ϕf,h ) + as (ϕs,h , ϕv,h ) n n n n n + c(ϕn f,h − ϕv,h , ϕf,h − ϕv,h ) − as (ϕv,h , ϕs,h ) n n n 6 (δ∆t vn f,h , ϕf,h )ρf φ + (δ∆t p , ϕp,h )(1−φ)2 /κs n n n + (δ∆t vn s,h , ϕv,h )ρs (1−φ) + (δ∆t ys,h , ϕs,h )ρs (1−φ) . We define n 2 n 2 n 2 n 2 En h = kϕf,h kρf φ + kϕp,h k(1−φ)n /κs + kϕv,h k(1−φ)ρs + kϕs,h kas , kvk2af = af (v, v), kvk2as = as (v, v), and proceed by using the positivity of c as c(x, x) > αc kxk20,Ω , (39) and Corollary 3 to obtain that n 2 n n 2 D∆t En h + kϕf,h kaf + αc kϕf,h − ϕv,h kL2 (Ω) 2 n 2 + ∆t(kD∆t ϕn f,h kρf φ + kD∆t ϕp,h k(1−φ)2 /κ s 2 n 2 + kD∆t ϕn v,h kρs (1−φ) + kD∆t ϕs,h kas ) 2 6 C max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }(hk+1 + ∆t)(kϕn f,h kρf φ n n + kϕn p,h k(1−φ)n /κs + kϕv,h k(1−φ)ρs + kϕs,h kas ) 6 C2 max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }2 k+1 1 (h + ∆t)2 + En , 2 2 h (46) where C denotes a general constant depending on the data. Now, we bound all the norms with discrete time derivatives on (46) by 0 from below and sum on n = 1, ..., m to get Em h + ∆t m X 2 n n 2 (kϕn f,h kaf + cc kϕf,h − ϕv,h kL2 (Ω) ) n=1 6 CT max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }2 k+1 (h + ∆t)2 2 m X + ∆t En h, n=1 48 linearized poromechanics and thus Lemma 10 (the discrete Gronwall Lemma), gives, for ∆t < 0.5: X 1 m 2 n n 2 Eh + ∆t (kϕn f,h kaf + cc kϕf,h − ϕv,h kL2 (Ω) ) 2 m n=1 C max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }2 T k+1 (h + ∆t)2 eT . 2 Rearranging terms and using norm equivalences as in Lemma 6 gives the desired result: 6 kϕf,h k`∞ (L2 (Ω)) + kϕp,h k`∞ (L2 (Ω)) + kϕv,h k`∞ (L2 (Ω)) + kϕs,h k`∞ (H1 (Ω)) + ∆t(kϕf,h k`2 (H1 (Ω)) + kϕf,h − ϕv,h k`2 (L2 (Ω)) ) 6 CT eT max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }(hk+1 + ∆t). (iv) We conclude this section with the full error estimate. Theorem 6. Assume that x ∈ W 2,∞ (0, T ; X) ∩ L∞ (0, T ; Z) as well as hypotheses (H1), (H2), (H3) and (H4). Then, there exists a constant C(T ) > 0, possibly dependent on the problem parameters, such that: kef k`∞ (L2 (Ω)) + kep k`∞ (L2 (Ω)) + kev k`∞ (L2 (Ω)) + kes k`∞ (H1 (Ω)) + ∆t(kef k`2 (H1 (Ω)) + cc kef − ev k`2 (L2 (Ω)) ) 6 C(T ) max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }(hk+1 + ∆t). Proof. By definition from Corollary 3 we get the error estimate of the projector ΠH h , and thus setting again a generic parameter dependent constant C we can write kχx kL2 = kχf kL2 (Ω) + kχp kL2 (Ω) + kχs kL2 (Ω) + kχv kL2 (Ω) 6 kχf kH1 (Ω) + kχp kL2 (Ω) + kχs kH1 (Ω) + kχv kL2 (Ω) 6 C hk+1 kxkZ (47) almost everywhere in t. The triangle inequality together with (47) give the conclusion as follows: kef k`∞ (L2 (Ω)) + kep k`∞ (L2 (Ω)) + kev k`∞ (L2 (Ω)) + kes k`∞ (H1 (Ω)) + ∆t(kef k`2 (H1 (Ω)) + kef − ev k`2 (L2 (Ω)) ) 6 kϕf,h k`∞ (L2 (Ω)) + kϕp,h k`∞ (L2 (Ω)) + kϕv,h k`∞ (L2 (Ω)) + kϕs,h k`∞ (H1 (Ω)) + ∆t(kϕf,h k`2 (H1 (Ω)) + kϕf,h − ϕv,h k`2 (L2 (Ω)) ) + C(kχf kH1 (Ω) + kχp kL2 (Ω) + kχs kH1 (Ω) + kχv kL2 (Ω) ) 6 C(T ) max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }(hk+1 + ∆t) + Chk+1 kxkL∞ (0,T ;Z) 6 C(T ) max{k∂tt xkL∞ (0,T ;X) , kxkL∞ (0,T ;Z) }(hk+1 + ∆t). (48) 3.5 the inf-sup condition 3.4.1 Numerical tests We now set up numerical tests for estimating the rates of convergence. For this, we consider the time domain I = (0, 1), the spatial domain Ω = (0, 1)2 and the following idealized parameters: ρf = 1, µs = 10, κ−1 f = I, λs = 10, µf = 10, ρs = 1, κs = 1, φ = 0.1. For simplicity, we assume that the forcing terms on the fluid and solid equations are different, respectively ff and fs , so that fixing a displacement, fluid velocity and pressure we recover a source θ and the load terms ff , fs . We thus set the Dirichlet boundary conditions according to the following manufactured analytical solution: ys (t, x, y) = t2 (0.5x3 cos(4πy), −x3 sin(4πy)), vs (t, x, y) = 2 t(0.5x3 cos(4πy), −x3 sin(4πy)), vf (t, x, y) = t2 (sin2 (4πy), sin2 (4πy)), p(t, x, y) = t2 (1 − sin(4πx) sin(4πy)) , Using such solution, which satisfies all the regularity requirements of the convergence theorem, we perform numerical tests in support of the theory using a polynomial order of k = 1. As a result, vf , ys and vs belong to [X2h ]2 , whereas the pressure belongs to X1h . These tests are designed to test the convergence with respect to ∆t and h, independently. First, choosing a very small ∆t, we progressively decrease the mesh characteristic size such that the space approximation error dominates over the one on time as shown in Table 1. Then, for a fixed small value of h, namely using a very refined mesh, we test the convergence in time as shown in Table 2. 3.5 the inf-sup condition Lemma 4 shows that the existence, uniqueness and stability of the discrete solution depend on the fulfillment of condition ker B T ∩ ker C = {0}, where matrix C is related to the term (1 − φ)2 ∂t ph , qh κs and matrix B is related to b((v∗f , ws ), q) = −(q, div(φv∗f ) + div((1 − φ)ws )). As already mentioned in Remark 3.2.1, the coefficient κs is often very large. For this reason, the stability of the numerical scheme hinges, in practice, around the term b((v∗f , ws ), q). This implies that an inf-sup 49 50 linearized poromechanics dofs h kes k`∞ (H1 ) rates kev k`∞ (H1 ) ratev 1063 2.357e-01 6.742e-03 – 1.363e-01 – 2266 1.571e-01 3.089e-03 1.92 6.210e-02 1.94 4570 1.088e-01 1.500e-03 1.96 3.005e-02 1.97 10527 7.071e-02 6.428e-04 1.97 1.286e-02 1.97 23287 4.714e-02 2.965e-04 1.91 5.939e-03 1.91 dofs h kef k`∞ (H1 ) ratef kep k`∞ (L2 ) ratep 1063 2.357e-01 6.614e-02 – 2.536e-03 – 2266 1.571e-01 3.296e-02 1.72 1.128e-03 2 4570 1.088e-01 1.662e-02 1.86 4.707e-04 2.38 10527 7.071e-02 7.231e-03 1.93 1.819e-04 2.21 23287 4.714e-02 3.262e-03 1.96 8.291e-05 1.94 Table 1: Errors and convergence rates for problem (38) with T = 1 and ∆t = 10−4 ; dofs stands for degrees of freedom. condition involving the discrete spaces Vf,h , Vs,h , Qp,h must be satisfied. The scope of this section is to analyse the inf-sup stability of the bilinear form b. Such form corresponds to a weak divergence operator with weights that depend on the function φ, that is the porosity of the material. The main question that we address here is what conditions must be satisfied by the discrete spaces Vf,h , Vs,h , given Qp,h , in different regimes of porosity, namely when φ is approaching the limit cases φ ≈ 1 and φ ≈ 0 respectively. The practical relevance of this question is confirmed by Figure 5, where we see that locking appears nearly in absence of the solid or fluid phase (φ ≈ 1 and φ ≈ 0 respectively). We divide the work in two parts, first operating at the continuous level we generalize the classical div-stability to weighted Sobolev spaces (with an H1 weight function) and then use this intermediate result to conclude with the inf-sup stability of the form b reported above. Second, we move at the discrete level where we prove the infsup condition for the specific case of the generalized Taylor-Hoodtype elements. 3.5.1 The weighted inf-sup condition In this section, we study the weighted inf-sup condition for b(vf , q) = (q, div(ωvf )), which is a generalized form of the classical inf-sup condition for the divergence operator. Also, from now on we will consider a general function ω such that ω > ω > 0 and both ω, 1/ω belong to W s,r (Ω) with s > d/r and r > 1. The result at the con- 3.5 the inf-sup condition (a) Fluid P1 , βh = C. P2 , (b) Fluid P2 , βh ≈ 0. solid P1 , (c) Fluid P2 , βh = C. solid P2 , (d) Fluid P1 , solid P2 , (e) Fluid P2 , βh ≈ 0. βh = C. solid P1 , (f) Fluid P2 , βh = C. solid P2 , solid P2 , (h) Fluid P2 , solid P1 , (i) Fluid P2 , βh = C. βh = C. solid P2 , (g) Fluid P1 , βh ≈ 0. solid Figure 5: Comparison of the pressure in a swelling test at T = 1.5. First row on a solid dominant regime (φ = 10−8 ), second row on a mixed regime (φ = 0.5) and third row on a fluid dominant regime (φ = 1 − 10−4 ). All tests are performed with P1 elements for the pressure. See Section 3.6.1 for a detailed description of the test case. 51 52 linearized poromechanics ∆t kes k`∞ (H1 ) rates kev k`∞ (H1 ) ratev 1.000e-03 3.614e-05 – 6.510e-03 – 5.000e-04 1.862e-05 0.957 3.376e-03 0.947 2.500e-04 9.468e-06 0.976 1.729e-03 0.965 1.250e-04 4.793e-06 0.982 8.822e-04 0.971 ∆t kef k`∞ (H1 ) ratef kep k`∞ (L2 ) ratep 1.000e-03 2.363e-04 – 4.751e-05 – 5.000e-04 1.214e-04 0.961 2.427e-05 0.969 2.500e-04 6.171e-05 0.976 1.227e-05 0.984 1.250e-04 3.148e-05 0.971 6.172e-06 0.991 Table 2: Errors convergence rates for problem (38) for a fixed structured mesh with 70 elements per side yielding 124 327 dofs. tinuous level requires first a preliminary lemma regarding weighted Sobolev spaces. Lemma 14. If both ω and 1/ω belong to W s,r (Ω) with s > d/r and r > 1, then the application v → ωv is a bijection in H1 (Ω) and the following bounds hold: 1 kvkH1 (Ω) 6 kωvkH1 (Ω) 6 Cbij kωkW s,r (Ω) kvkH1 (Ω) Cbij kω−1 kW s,r (Ω) (49) for a positive constant Cbij . Proof. A direct application of the Sobolev product Theorem [84, Theorem 1.4.4.2] gives that both ωv and ω−1 v belong to H1 (Ω) and satisfy the inequalities kωvkH1 (Ω) 6 Cbij kωkW s,r (Ω) kvkH1 (Ω) , and kvkH1 (Ω) 6 Cbij kω−1 kW s,r (Ω) kωvkH1 (Ω) , for a positive constant Cbij , which states the result. Remark. The hypothesis ω, 1/ω in W s,r (Ω) implies that ω is strictly positive. The weighted inf-sup condition at the continuous level is then a direct consequence of the isomorphism ωv → v in H1 (Ω). Lemma 15. There exists a positive constant β which satisfies the following: R sup v∈H10 (Ω) v6=0 Ω q div(ωv) kvk1,Ω > βkqk0,Ω ∀q ∈ L20 (Ω). (50) 3.5 the inf-sup condition Proof. Using Lemma 14, we proceed as follows: R R − Ω q div(v) − Ω q div(ωv) = sup sup kvkH1 (Ω) kω−1 vkH1 (Ω) v∈H1 (Ω), v∈H1 (Ω), 0 0 v6=0 v6=0 1 > −1 Cbij kω kW s,r (Ω) sup v∈H10 (Ω), v6=0 − R Ω q div(v) kvkH1 (Ω) , which proves the statement. Now we address the discrete version of the inf-sup condition, recalling that it is not a consequence of the continuous one even though we are using conforming finite dimensional spaces. Let us define the following spaces: d Vk = H10 (Ω) ∩ [Xk h] , Qk = L20 (Ω) ∩ Xk h. Our aim is to extend the proof in [31] and [32], see also [33] for an overview, for the 2D and 3D cases respectively developed for ω = 1 by means of the macroelements technique, where a modified inf-sup condition at the element level will be used together with Verfürth’s trick [185] and an inverse estimate to conclude the global statement. We highlight that although we do not address the approximation of ω by means of finite elements, all the forecoming analysis holds as long as its approximation is still in W s,r (Ω) and strictly positive. We start with a brief review of the relevant results from the macroelements technique [172]. A macroelement M is defined as a union of continuous elements on the mesh, and for each one of its elements there is an affine map which maps it into an element of a reference macroelement. All macroelements which can be mapped into one particular reference macroelement form an equivalence class. Let Mh be a macroelement partition of the mesh Th , which is assumed to be shape regular [156, Chapter 3.1]. For M in Mh we denote 1 VM k+1,0 = Vk+1 ∩ H0 (M), QM k = {q|M : q ∈ Qk }, Z M QM = q ∈ Q : q div(ωv) = 0 k k,⊥ M ∀v ∈ VM k+1,0 . We now focus on proving the following result. Theorem 7. Let Mh be a macroelement partition of the (shape regular) mesh Th such that (HM ) for each M in Mh , the space QM k,⊥ is one dimensional given by constant functions. Then, there exists a positive constant β = β(ω) such that: R Ω qh div(ωvh ) sup > βkqh k0,Ω ∀qh ∈ Qk . kvh k1,Ω vh ∈Vk+1 vh 6=0 (51) 53 54 linearized poromechanics Remark. We have simplified the original theorem by removing some hypotheses regarding the macroelements partition. These hold under the standard assumption of shape regularity of the mesh, so we removed them for the sake of clarity (see [172] for details). In order to prove this theorem, we need the following lemmas. This first one allows us to extend an inf-sup condition from the macroelement level to the global level. Lemma 16. Let Ω = Ω1 ∪ Ω2 and for i = 1, 2 set Vk (Ωi ) = {vh ∈ Vk : vh = 0 in Ω \ Ωi }. Suppose also that the following conditions hold for the previously defined weight function ω: R Ωi div(ωvi )qh dx sup > βi kqh kL2 (Ωi ) , ∀qh ∈ Qk , i ∈ {1, 2}. kvi kH1 (Ωi ) vi ∈Vk+1 (Ωi ) vi 6=0 Then, the following global condition also holds: R Ω div(ωvh )qh dx sup > βkqh k0,Ω , kvh k1,Ω vh ∈Vk+1 (Ω) ∀qh ∈ Qk , vh 6=0 √ where β = 1/ 2 min(β1 , β2 ). If Ω1 ∩ Ω2 = ∅, then β = min(β1 , β2 ). Proof. We adapt the proof from [31, Proposition 3.1]. Consider qh in Qk . By hypothesis there exist, for i = 1, 2, vi in Vk+1 (Ωi ) such that Z 1 div(ωvi )qh dx > kqh k2L2 (Ωi ) , kvi kH1 (Ω) 6 kqh kL2 (Ω) . βi Ωi From here we have that, defining vh = v1 + v2 by appropriately extending the functions through mollification, Z Z div(ωvh )qh dx = Ω Z div(ωv1 )qh dx + Ω1 div(ωv2 )qh dx Ω2 > kqh k2L2 (Ω1 ) + kqh kL2 (Ω2 ) > kqh k2L2 (Ω) , and kvh k2H1 (Ω) 6 kv1 k2H1 (Ω1 ) + kv2 k2H1 (Ω2 ) 1 1 6 kqh k2L2 (Ω1 ) + kqh k2L2 (Ω2 ) 6 2 max β1 β2 1 1 , β1 β2 kqh k2L2 (Ω) . If Ω1 ∩ Ω2 are disjoint, we can drop the 2 from the last inequality, thus proving the statement. We then show that at the macroelement level, the inf-sup condition is satisfied for the space of constants. 3.5 the inf-sup condition Lemma 17. Let EM̂ be a class of equivalent macroelements and assume that for every M the space QM k,⊥ satisfies (HM ) of Theorem 7. Then there exists a positive constant βM̂ which depends only on the reference macroelement and the mesh regularity such that the following inequality holds: R 2 M qh div(ωvh ) sup > βM̂ kqh k0,M ∀qh ∈ QM k ∩ L0 (M). kv k h 1,M v ∈VM h k+1,0 vh 6=0 Proof. See [172, Lemma 3.1]. We finally show that if functions which are constant at the macroelement are removed from the pressure space, the inf-sup condition holds. Defining Π0 : L2 (Ω) → {q ∈ L2 (Ω) : q|M is constant ∀M ∈ Mh } the orthogonal projector with respect to the scalar product of L2 (Ω) we get the following result. Lemma 18. Under hypothesis (HM ) of Theorem 7, there exists a positive constant c such that b(qh , vh ) > ck(I − Π0 )qh kL2 (Ω) . kvh kH1 (Ω) (52) Proof. For every qh in Qk we have that (I − Π0 )qh belongs to inf sup qh ∈Qk v ∈V h k+1 L20 (M). Thanks to Lemma 17, there exists vM in M such that M VM k+1,0 ((I − Π0 )qh , div(ωvM ))M > C1 k(I − Π0 )qh k2L2 (M) for every and kvM kH1 (M) 6 k(I − Π0 )qh kL2 (M) , where C = mini (βM̂i ), the constants defined as in Lemma 17. Finally we note that as vM = 0 on ∂M , we have due to integration by parts that (Π0 qh , div(ϕvM )) = 0, which together with the previous estimate and Lemma 16 states the result. Now we proceed with Verfürth’s trick [185]. We generalize it in the following lemma, which requires the definition of the L2 projector Π0 : Qk → Q0,h , the last space given by the space of macroelementwise constants: Q0,h = {q ∈ L20 (Ω) : q|M is constant ∀M ∈ Mh }. Lemma 19. Assume that there exists a linear operator Πh : H10 (Ω) → Vk such that for every v in H10 (Ω) there is a positive constant c which satisfies kv − Πh vkHr (Ω) 6 c 1/2 X 2(1−r) , hK kvk2H1 (K) K∈Th r ∈ {0, 1}. (53) 55 56 linearized poromechanics Then, there exist two positive constants c1 , c2 such that for every qh in Qh the following holds: sup vh ∈Vk+1 vh 6=0 (div(ωvh ), qh ) c1 > kqh kL2 (Ω) −1 kvh kH1 (Ω) kω kW s,r (Ω) − c2 kωkW s,r (Ω) k(I − Π0 )qh kL2 (Ω) . kω−1 kW s,r (Ω) (54) Proof. We use kΠh vk 6 kvk + kv − Πh vk with (53) to bound the infsup condition from below: sup vh ∈Vk+1 vh 6=0 (div(ωvh ), qh ) (div(ωΠh v), qh ) > sup kvh kH1 (Ω) kΠh vkH1 (Ω) v∈H1 (Ω) 0 Πh v6=0 > (div(ωΠh v), qh ) . (1 + c)kvkH1 (Ω) v∈H1 (Ω) sup 0 Πh v6=0 Then, we define v such that div(ωv) = qh , kvkH1 (Ω) 6 Ckω−1 kW s,r (Ω) kqh kL2 (Ω) and proceed with integration by parts, hypothesis (53) and CauchySchwarz inequality: (div(ωΠh v), qh ) (1 + c)kvk1,Ω v∈H1 (Ω) sup 0 Πh v6=0 > kqh k0,Ω (div(ω[Πh v − v]), qh ) + −1 (1 + c)kω kW s,r (Ω) Ckω−1 kW s,r (Ω) kqh k0,Ω (ω[Πh v − v], ∇qh ) kqh k0,Ω − −1 (1 + c)kω kW s,r (Ω) Ckω−1 kW s,r (Ω) kqh k0,Ω P ckωkW s,r (Ω) kvk1,Ω K∈Th hK k∇qh k0,K kqh k0,Ω > − (1 + c)kω−1 kW s,r (Ω) Ckω−1 kW s,r (Ω) kqh k0,Ω P ckωkW s,r (Ω) K∈Th hK k∇qh k0,K kqh k0,Ω > − . (1 + c)kω−1 k0,Ω Ckω−1 kW s,r (Ω) > We now use the inverse inequality [156, Proposition 6.3.2]: hK k∇wh k0,K 6 Ckwh k0,K ∀wh ∈ Pk (K), which, considering wh = qh − Π0 qh and setting h = maxK hK gives the desired result. Then, we are ready to prove Theorem 7. 3.5 the inf-sup condition Proof of macroelement condition (Theorem 7). We first note that hypothesis (53) holds by considering the interpolation operator in Vk+1 , so we set Πh = ΠVk+1 . Then, consider the weak inf-sup from Lemmas 18 and 19. Adding (52) and (54) we obtain sup vh ∈Vk+1 vh 6=0 b(vh , q) c1 C . > βkqh k0,Ω , with β > −1 kvh k1,Ω Ckω kW s,r (Ω) + c2 kωkW s,r (Ω) (55) We now extend [31, Theorem 4.1], by proving that the space QM k,⊥ is one dimensional, as required by condition (HM ) of Theorem 7. Theorem 8. Let {Th }h be a regular family of triangulations of Ω (as in [156, Section 3.1]), and assume that each one of them contains at least three triangles if Ω ⊂ R2 or that every element has at least one inner vertex if Ω ⊂ R3 . Then, for k > 1 the finite element space Vk+1 × Qk satisfies condition (HM ) of Theorem 7. Proof. We treat the two-dimensional and three-dimensional cases independently. Ω ⊂ R2 : In this case the proof is performed as in [31] with minor modifications. We first modify the weight for the Legendre polynomials, which needs to incorporate ω, thus following the notation in the mentioned work we rewrite [31, Equation (4.2)] as Z0 Z a f(x) dµa,x = ωλa AB λAE f(x) dxdy ∀f : [xA , 0] → R. xA a The proof then follows verbatim as the original one, in which we require the strict positivity of ω in [31, Equation (4.7)] to conclude. Ω ⊂ R3 : In this case we see again that the proof requires only the strict positivity of ω in [32, Equation (2.6)]. Remark. The 3D proof is simpler but not sharp. In fact, the condition of the inner vertex can be weakened, but a minimal mesh has not been characterized yet as far as we know. The 2D case is instead more technical but it allows for the characterization of a minimal mesh for inf-sup stability. 57 58 linearized poromechanics 3.5.2 The inf-sup condition for the poromechanics problem In this section we show that the discretization based on Taylor-Hood type finite elements is robust and stable. For this, we write approximation spaces as 1 k d Vk f,h = H0 (Ω) ∩ [Xh ] , 1 k d Vk s,h = H0 (Ω) ∩ [Xh ] , 2 k d Qk v,h = L (Ω) ∩ [Xh ] , 2 k Qk p,h = L0 (Ω) ∩ Xh . Theorem 9. Consider φ such that (H1) holds, then the bilinear form b : kp ks kv f (Vk f,h × Vs,h × Qv,h ) × Qp,h → R given by b((vf,h , ws,h , vs,h ), qh )) = (qh , div(φvf,h ) + div((1 − φ)ws,h )) satisfies the discrete inf-sup condition for a constant β = β(φ) given by sup (vf,h ,ys,h )∈Vkf ×Vks b((vf,h , ys,h ), qh ) > β kqh k0,Ω k(vf,h , ys,h )kVkf ×Vks ∀qh ∈ Qp kp , (56) whenever the fluid velocity space or the displacement space are approximated with a degree higher than that of the pressure, i.e max{kf , ks } > kp > 1, for every kv > 1. If both spaces present a higher degree of approximation, i.e min{kf , ks } > kp , then the inf-sup condition is uniformly independent of φ. Proof. We consider three cases: div-stability in fluid/pressure, in displacement/pressure and in both fluid and displacement. • Case kf > kp = ks . In this case we consider ys,h = vs,h = 0 and conclude from Theorem 7 with ω = φ and β = β(φ) as in (55). Note that β → 0 as φ → 0, and remains otherwise constant. • Case ks > kp = kf . In this case we consider vf,h = vs,h = 0 and conclude from Theorem 7 with ω = 1 − φ and β = β(1 − φ) as in (55). Note that β → 0 as φ → 1, and remains otherwise constant. • Case min{kf , ks } > kp . kf ks In this case we consider a function zh in Vf,h ∩ Vs,h and impose vf,h = ws,h = zh to arrive at the well-known divergence form which is inf-sup stable, thus giving β > C, with C independent of φ. 3.5 the inf-sup condition 3.5.3 Computation of the inf-sup constant In this section we study the dependence of the inf-sup constant with respect to the porosity φ. The computation of the inf-sup constant of the divergence operator is a difficult task that has been widely studied by the Spectral Theory community. The point of departure is its connection with an eigenvalue problem, initially studied by E. and F. Cosserat [61, 62], known as the Cosserat eigenvalue problem. It has been studied for many simple geometries (see [63] and references therein), but an efficient algorithm for computing the infsup was only recently developed [78]. We extend this approach to our problem by recasting the computation of the inf-sup constant as a generalized eigenvalue problem and performing numerical experiments. This eigenvalue problem depends on the isomorphism used to map H10 (Ω) into (H10 (Ω)) 0 , and as we show, using the isomorphisms induced by the problem better reflects instabilities seen in numerical tests (for example, Figure 5). We will make use of the following lemma. Lemma 20. Let H be a Hilbert space. Then, the spaces (H × H) 0 and H 0 × H 0 are isometric (we consider only norms of `2 type). More explicitly, if τ in (H × H) 0 and ϕ, ψ in H 0 are such that τ = τ(ϕ, ψ), then 1 √ k(ϕ, ψ)kH 0 ×H 0 6 kτk(H×H) 0 6 k(ϕ, ψ)kH 0 ×H 0 . 2 Proof. Given ϕ, ψ in H 0 , we consider the linear application τ : H 0 × H 0 → (H × H) 0 given by [τ(ϕ, ψ)](x, y) = ϕ(x) + ψ(y) ∀x, y ∈ H. It suffices to show that τ is an isomorphism. First note that |[τ(ϕ, ψ)](x, y)| 6 k(ϕ, ψ)kH 0 ×H 0 k(x, y)kH×H , thus kτ(ϕ, ψ)k(H×H) 0 6 k(ϕ, ψ)kH 0 ×H 0 . For the inverse inequality we proceed as follows: |[τ(ϕ, ψ)](x, y)| x,y∈H k(x, y)kH×H kτ(ϕ, ψ)k(H×H) 0 = sup x,y6=0 > kϕk if x attains the norm of ϕ, if y attains the norm of ψ. H0 kψkH 0 The last part gives kτ(ϕ, ψ)k2(H×H) 0 > cludes the proof. √1 k(ϕ, ψ)k2 0 H ×H 0 , 2 which con- We now proceed to construct the eigenvalue problem, for which we consider the spaces H = H10 (Ω) and Q = L20 (Ω), and two bilinear forms ni : H × H → R, i ∈ {1, 2} with induced operators Ni such that Hi := (H, ni (·, ·)) is a Hilbert space and the norms induced by ni are equivalent to the norm in H10 (Ω). These operators give the following characterization of the dual norm. 59 60 linearized poromechanics Lemma 21. In the previous context, for any function ϕ in W s,r (Ω) the following equality holds: kϕ∇qk2(H1 (Ω)) 0 = −(q, div ϕN−1 i ϕ∇q)0,Ω , i ∈ {1, 2}. Proof. We use the Riesz Representation Theorem [43, Theorem 4.11] with the explicit operators Ni , thus obtaining: 2 −1 −1 kϕ∇qk2(H1 (Ω)) 0 = kN−1 i ϕ∇qk(H,ni ) = ni (Ni ϕ∇q, Ni ϕ∇q) −1 = hϕ ∇ q, N−1 i ϕ ∇ qiH−1 ×H1 = −(q, div ϕNi ϕ ∇ q)0,Ω . 0 Now we are in position to find the eigenvalue problem associated to the inf-sup constant. Theorem 10. The problem of finding the inf-sup constant of the bilinear form (51) is equivalent to finding the smallest λ in R, v, y in H10 (Ω) and p in L20 (Ω) such that −N1 v + φ ∇ p = 0, (57) div(φv + (1 − φ)y) = λp, −N2 v + (1 − φ) ∇ p = 0. Proof. We first define the operator T : Q → (H × H) 0 given by T [q](v, y) = hφ ∇ q, viH 0 ×H + h(1 − φ) ∇ q, yiH 0 ×H , which thanks to Lemma 20 is defined with the norm kT [q]k2 := k(φ ∇ q, (1 − φ) ∇ q)k2H 0 ×H 0 = kφ ∇ qk2H 0 + k(1 − φ) ∇ qk2H 0 . We then rewrite the inf-sup condition as follows by using Lemma 21: 2 β = inf sup q∈Q v,y∈H q6=0 (v,y)6=0 = inf sup q∈Q v,y∈H q6=0 (v,y)6=0 (div(φv + (1 − φ)y), q) k(v, y)kH1 ×H2 kqkQ −T [q](v, y) k(v, y)kH1 ×H2 kqkQ 2 2 kT [q]k2 q∈Q kqk2 Q = inf q6=0 kφ ∇ qk2H 0 + k(1 − φ) ∇ qk2H 0 q∈Q kqk2Q = inf q6=0 −1 −(q, div(φN−1 1 φ ∇ q + (1 − φ)N2 (1 − φ) ∇ q)) . q∈Q kqk2Q = inf q6=0 −1 Defining the operator S(q) := div(φN−1 1 φ ∇ q + (1 − φ)N2 (1 − φ) ∇ q) 2 and λ := β we prove our claim. 3.6 numerical tests We present some numerical tests to investigate the dependence of the inf-sup constant on the parameter φ in Figure 6. The experiments were performed with the SciPy library [105], which contains a wrapper for the implicitly restarted Arnoldi method in ARPACK [120]. To avoid rescaling the pressure, on the unit square Ω = (0, 1)2 the experiments were performed with v = 0 on x1 = 0 and y = 0 on x0 = 0. The dependence on φ was then tested for N1 = N2 = ∆−1 for an extension of the results regarding the divergence operator, and then to better understand the results on Figure 5 with N1 = (2 div µf ε(·))−1 and N2 = (div CHooke ε(·))−1 , the diffusive operators associated to the fluid and solid momenta, respectively, with two different sets of parameters. The numerical tests confirm that when the operators N1 and N2 are the same and equal to the Laplace operator, the stability behaviour of the problem with respect to the fluid phase and the solid phase is symmetric. Instead, if the operators N1 and N2 are chosen as in the poromechanics problem, then we observe that the stability properties are dominated by the fluid phase. This behavior becomes even more evident when realistic parameters are used, in which case we observe that the stability properties of the chosen k+1 k × Qk × Qk spaces Vf,h × Vs,h v,h p,h are equivalent in practice to those k+1 k+1 k k of Vf,h × Vs,h × Qv,h × Qp,h . Still, this scenario shows that considering both the fluid velocity and the solid displacement belonging to a finite element space of higher order than the one for the pressure provides a stable approximation. This can be seen in subfigure 2 × V 2 ) is (f), where the minimum of the P2 − P2 curve (green, Vf,h s,h more than an order of magnitude bigger than that of the fluid-stable 2 × V 1 ). Moreover, we notice that the regime (P2 − P1 blue curve, Vf,h s,h minimum of the P2 − P2 curve roughly equals the maximum of the 1 × V 2 ). solid-stable regime (P1 − P2 orange curve, Vf,h s,h 3.6 numerical tests In this section, we present some numerical tests related to problem (17). The first one is a classical benchmark known as the swelling test [50]. The second one shows a spatially dependent porosity which explores the inf-sup stability with respect to the dominant phase (solid or fluid), and the last one is a preliminary result regarding the modelig of blood perfusion in the human left ventricle with an idealized geometry. 3.6.1 Swelling test This test studies the behaviour of a 2D slab in absence of volume forces. The slab is subject to an external pressure σf n = −pext n, pext (t) = 103 (1 − exp(4t2 )) on the left and null stress on the right. Above and below it uses a no-slip boundary condition vf = vs , which we impose 61 62 linearized poromechanics (a) N1 = N2 = (b) N1 = N2 = ∆−1 , semilog y ∆−1 . axis. (d) N1 = (2µf div ε(·))−1 , N2 = = (div CHooke ε(·))−1 , semilog y axis. (e) N1 = (2µf div ε(·))−1 , N2 = (f) N1 = (2µf div ε(·))−1 , N2 = (c) N1 = (2µf (div CHooke div ε(·))−1 , N ε(·))−1 . (div CHooke parameters. ε(·))−1 , 2 physical (div CHooke ε(·))−1 , semilog y axis, physical parameters. Figure 6: Inf-sup constant β with respect to the porosity. Images (a), (b), (c) and (d) have all parameters set to 1, instead (e) and (f) use a realistic parameters. The code Pa − Pb on the plots stands for a fluid-solid-pressure discretization with elements Pa − Pb − P1 . 3.6 numerical tests weakly with a constant γ = 2 105 (more details in [49]). The boundary conditions for the solid are: sliding on the bottom and left sides, the external pressure also acts on the solid phase through σs n = −pext n on the left and the rest of the boundary is of null traction type (see Figure 7). The results, shown in Figure 7 are obtained with the following parameters: ρf = ρs = 1000, µf = 0.035, λs = 711, µs = 4066, κs = 2 · 108 , ∂Ω = 2 · 105 , κ−1 = 107 I, all in SI units with |Ω| = 10−4 disf cretized with 12 elements per side. The finite element spaces used 2 , Q1 , V 2 , Q1 for the fluid velocity, pressure, displacement are Vf,h p,h s,h v,h and solid velocity respectively. (a) (b) Figure 7: (a) Boundary conditions for the swelling test, (b) results at time t = 1. 3.6.2 Inf-sup stability test This test shows how the poromechanics problem can exhibit different stability behaviors in the same domain. We use a setting similar to the swelling test, the differences being: (i) The fluid, in which we impose a quadratic flow with a peak value of 0.01 on the left instead of a Neumann condition; (ii) the parameters: λ = µ = 0.035, κf −1 = 104 I; and (iii) the porosity function, given by φ ≈ I{y60.5} (not exactly as it must be strictly contained in [0, 1]). In Figure 8 we show the pressure field, which is unstable only when the corresponding phase is not discretized appropriately. In Figure 8a fluid and displacement are discretized with P1 elements (same as pressure), thus both regions show unstable behavior. In Figure 8b, only the fluid is unstable and thus we see instabilities where the fluid is dominant (below). Figure 8c is the opposite of 8b, and as expected when both physics are approximated with P2 elements we see stable pressure (Figure 8d). 3.6.3 Contraction of an idealized model of left ventricle We finally present a prospective simulation in the field of heart modeling (see [154] and [79]), performed on the prolate geometry (see 63 64 linearized poromechanics (a) P1 × P1 (b) P1 × P2 (c) P2 × P1 (d) P2 × P2 Figure 8: Pressure of inf-sup test for all combinations of fluid/displacement finite element spaces. Figure 3), for which we modify problem (7) to include nonlinear mechanics: ρs (1 − φ)∂tt ys − div P (F ) + (1 − φ) ∇ p −φ2 k−1 f (vf − ∂t ys ) = ρs (1 − φ)f, ρf φ∂t vf − div (φσvis (vf )) + φ ∇ p ys − ys n−1 2 −1 = ρf φf, +φ kf vf − ∆t (58) (1 − φ)2 ∂t p + div (φvf ) + div ((1 − φ) ∂t ys ) = 0. κs We note that this is a hybrid model, in the sense that it includes a nonlinear mechanics response but it does not account for large deformations in the fluid momentum and mass conservation. To model the ventricle mechanics, a Guccione constitutive law [87] was used together with an artificial active contraction force. The constitutive law is given by κ W(F ) = C exp{Q(F ) − 1} + (J − 1) log J, 2 2 2 Q = bf Eff + bs Ess + bn E2nn + 2(bfs E2fs + bfn E2fn + bsn E2sn ), 1 E = (F T F − I), F = ∇ ys + I, Euv = (Ev) · u, 2 where f, s and n are a pointwise set of independent vectors directed towards the heart fibers, sheets and normal directions, and the active stress is given by Pa = 3 · 104 sin(πt) (F f) ⊗ f . kF fk We used the same parameters from [182]: C = 0.88 · 103 , bf = 8, bs = 6, bn = 3, bfs = 12, bfn = 3, bsn = 3, κ = 5 · 104 . We present the solution in Figure 9, in which we note that the model is able to capture movement along the fibers in this coupled framework. Also note that during contraction, fluid is being ejected from the base of the ventricle. This is coherent with the model setting, as a null stress Neumann condition was imposed for the fluid at the base (flat portion of the 3.7 conclusions t = 0.0 t = 0.25 t = 0.75 t = 1.0 t = 0.0 t = 0.25 t = 0.75 t = 1.0 Figure 9: Results of the (nonlinear) left ventricle test simulation. The top row shows the deformed geometry, pressure represented by colors, fluid velocity by arrows. The bottom row shows the deformed geometry from above so as to observe the twisting due to the fibers. surface). We see that our results are coherent with the ones recently obtained in [188], using a similar (idealized) geometrical setting of the ventricle but referring to a different model applied in the finite deformation setting. 3.7 conclusions In this chapter we presented a complete mathematical and numerical analysis of the linearized poromechanics problem first addressed in [50]. For the well-posedness analysis we have combined the theory of Differential Algebraic Equations with the Faedo-Galerkin technique. We remark that the analysis presented here features a relaxation of the constant porosity condition used in [50]. We have discretized the problem with the backward Euler scheme in time and Taylor-Hood-type finite elements in space which require fluid velocity, displacement and pressure to be approximated by Pk+1 − Pk+1 − Pk piecewise polynomials at the element level, thus leaving solid velocity unconstrained. The pressure and the velocities of the fluid and solid phases are coupled by a quasi-incompressibility constraint that has been thoroughly analyzed, shedding light on properties of the model that were not completely understood yet. In particular, we show that equal order approximation of the previous variables is not stable. Only the k + 1/k-th order approximations of velocities and pressure are always stable in practice. Interestingly, our analysis shows that, depending on the porosity, the approximation of the fluid 65 66 linearized poromechanics or solid velocities can be selectively degraded to the polynomial order used for the pressure. These findings are confirmed by the numerical tests which complement the ones previously performed in [50] with this model. We highlight the robustness of the inf-sup stable finite elements proposed with respect to the porosity. In nonlinear poromechanics, the porosity is no longer a parameter but a variable, which means no control over the possibly stable and unstable regions. With our framework, we guarantee the stability of the scheme independently of the porosity. 4 I T E R AT I V E S C H E M E S F O R P O R O M E C H A N I C S The purpose of this chapter is to develop efficient solution strategies for (7), which we consider discretized in time with an implicit Euler scheme. Most of the work contained in this chapter is available online as a preprint [36]. In general, the approach for numerically approximating nonlinear problems is to first discretize and then perform the linearization of the discrete problem, obtaining a discrete tangent problem to which the solution strategies proposed later on will be applied. Since the focus of this work is on solvers for the discrete tangent problem, for a simpler presentation we reverse this approach. Namely, we start from the linearization of the problem, i.e. (7), which is fully continuous. Then, we address the numerical discretization of such problem and we develop the numerical solvers for it, based on the splitting into several subproblems. In other words, we adopt an approach that could be summarized as linearize then discretize then split. We point out that other choices are viable, for example in [49] a solution strategy where the time discretization is addressed directly for the nonlinear problem and then the resulting equations are linearized through a Newton-Raphson method is addressed, which is a discretize then split then linearize. The main difference resides in a monolithic treatment of the tangent problem. The iterative solution procedures we develop use techniques similar to those applied so far to the quasi-static Biot equations. Although they model similar phenomena, Equation (7) and Biot’s model present a different structure (see Remark 3.1.1), where system (7) presents the advantage of being interpretable as a generalized Stokes problem after a time discretization procedure. This will be fundamental for the development of splitting schemes, as they are built upon the saddle point structure of the problem. The main splitting strategies we use are undrained [197] and an L2 diagonally stabilized scheme [159], which generalizes the classical fixed-stress. The undrained splitting scheme is analyzed in the framework of generalized gradient flows as developed in [39], where the problem is recast as a minimization one and then split through alternate minimization. The diagonal stabilization is motivated by the fixed-stress scheme, where a mass term is included to the split system. All equations consider a stabilization term, and the amount of required stabilization is determined by the analysis. This method can be analyzed by means of a relative stability analysis. Fixed-stress instead is motivated by means of an approximate Schur complement in which the diffusion operators are neglected. This can be further improved by neglecting 67 68 iterative schemes for poromechanics instead the identity operators and then combining both approaches as in the well-known Cahouet-Chabard scheme [51], which is the approach we use to obtain a 3-way split variant of the diagonal split. Experience in geosciences has established the superiority of the fixed-stress approach, which we also found to be true in this problem. The greatest weakness of the undrained scheme is that it is very sensitive to the bulk modulus, meaning that quasi-incompressible materials are very difficult to solve with it. We also extend these results to a simplified nonlinear model in which the solid stress tensor is replaced with a nonlinear Piola stress tensor which incorporates cardiac activation through an active stress term, where we see that a fixedstress approach shows very promising results for cardiac simulations with both two and three way splittings. This chapter is structured as follows: In Section 4.1 we show the discrete problem to be analyzed and its structure, in Section 4.2 we develop the undrained splitting scheme, in Section 4.3 we develop the diagonally L2 -stabilized splitting scheme, in Section 4.4 we perform the convergence analysis of both splitting schemes, in Section 4.5 we show several numerical tests to study the parameter sensitivity of the schemes and in Section 4.6 we apply all the developed schemes to a model with large deformations. 4.1 numerical approximation of the linearized problem We start form a backwards Euler time discretization. We will discuss later on how higher order time discretizations are also viable and the resulting discrete problem maintains its fundamental traits, such that the numerical solvers developed in what follows will still be applicable. We consider a partition of the time interval of interest [0, T ], given by 0 = t0 < t1 < ... < tn < ... < tN = T with, for simplicity, constant time step size ∆t = tn − tn−1 . The temporal derivatives within the model (7) are approximated by finite differences: ys n − ys n−1 , ∆t ys n − 2ys n−1 + ys n−2 ∂tt ys (tn ) ≈ , ∆t2 vn − vn−1 f ∂t vf (tn ) ≈ f , ∆t pn − pn−1 ∂t p(tn ) ≈ . ∆t ∂t ys (tn ) ≈ We assume that besides the initial data the first time step has been already determined. From the second time step the fully dynamic linearized model can then be approximated by the Implicit Euler discretization using the above finite difference approximations: For n > 2, given ys n−1 , ys n−2 , pn−1 , vn−1 , find ys n , pn , vn f such that f 4.1 numerical approximation of the linearized problem ρs (1 − φ) 69 ys n − 2ys n−1 + ys n−2 − div σs (ys n ) + (1 − φ) ∇ pn ∆t2 ys n − ys n−1 2 −1 n = ρs (1 − φ)fn , −φ kf vf − ∆t (59a) n−1 vn f − vf n − div φσf (vn f ) +φ∇p ∆t ys n − ys n−1 2 −1 n = ρf φfn , +φ kf vf − ∆t (59b) ys n − ys n−1 (1 = 0. + div φvn + div − φ) f ∆t (59c) ρf φ (1 − φ)2 pn − pn−1 κs ∆t Such problem must satisfy the same boundary conditions of (7) at each time tn , where fn , ys D,n , etc. denote suitable approximations in time of the external data at time tn . In what follows we will apply the lifting technique to nonhomogeneous Dirichlet boundary data. In this way, all the forcing terms of the problem (volume forces and surface forces/data) will be implicitly represented in the volume term fn without significant loss of generality. Initial conditions are also equivalent to (12)-(15). Finally, we stress that the mass conservation equation has been divided by the constant fluid density ρf in order to highlight an apparent symmetry between the equations. Remark (Higher order time discretization). Applying alternative diagonally implicit Runge-Kutta schemes results in coupled systems of governing equation of similar type. Material parameters possibly have to be scaled appropriately, and the right hand side source terms may then also include further previous data. However, we stress that the analysis of the splitting in this work does not depend on the choice of the time discretization similarly as in [15]. Let V, W, Q denote suitable function spaces for the solid displacement, fluid velocity, and fluid pressure, respectively, at discrete time tn , incorporating in particular homogeneous essential boundary conditions on the relevant boundaries, s V := y?s ∈ H1 (Ω)d (1 − φ)y?s ∈ H(div; Ω), y?s = 0 on ΓD , ? f W := vf ∈ H1 (Ω)d φv?f ∈ H(div; Ω), v?f = 0 on ΓD , ? 2 Q := p ∈ L (Ω) , where we used the definition H(div; Ω) := {v ∈ L2 (Ω) div v ∈ L2 (Ω)}. Remark. We note that the requirements (1 − φ)y?s , φv?f ∈ H(div; Ω) are formally required for the corresponding terms in the weak formulation to 70 iterative schemes for poromechanics be well-defined. This requires higher regularity of φ, where it is sufficient to consider as in Chapter 2 that both φ and 1/φ belong to W s,r (Ω) with s > d/r and r > 1. n Then the canonical weak formulation of (7) reads: Find (ys n , vn f ,p ) ∈ V × W × Q such that for all test functions (y?s , v?f , p? ) ∈ V × W × Q it holds that ys n − 2ys n−1 + ys n−2 ? ρs (1 − φ) , y s ∆t2 + (CHooke ε(ys n ), ε(y?s )) − (pn , div ((1 − φ)y?s )) ys n − ys n−1 n ? 2 −1 ? vf − , ys = (fn − φ kf s , ys ) , ∆t (60a) ! vn − vn−1 ? f , v?f + (φ2µf ε(vn ρf φ f f ), ε(vf )) ∆t ys n − ys n−1 n ? ? n ? 2 −1 vf − , vf = (fn − (p , div (φvf )) + φ kf f , vf ) , ∆t (60b) 2 n n−1 (1 − φ) p − p ? , p? + (div (φvn f ),p ) κs ∆t ys n − ys n−1 ? , p = 0. + div (1 − φ) ∆t (60c) The spatial discretization is based on the Galerkin projection of the n solution (ys n , vn f , p ) ∈ V × W × Q on suitable discrete finite element spaces Vh , Wh , Qh that for the sake of simplicity we consider conforming, namely Vh ⊂ V, Wh ⊂ W, Qh ⊂ Q. Also, all the physical parameters of the tangent problem are assumed to be constant in time and uniform in space. Under these assumptions, the fully discrete version of the problem is formally equivalent to (60), where the solution n n (un s,h , vf,h , ph ) is sought in Vh × Wh × Qh and the test functions are taken in the same discrete space. Then, to avoid redundancy of notation, we will identify problem (60) with the fully discrete one and we will omit to specify the subindex h, unless strictly necessary. The finite element spaces Vh , Wh , Qh will be kept generic throughout the derivation of the numerical solution algorithms, until the discussion of suitable numerical examples that will refer to precise choices of such spaces. We observe that the poroelasticity model (60) can be viewed as a generalized unsteady compressible Stokes system – incompressible if 4.1 numerical approximation of the linearized problem κs → ∞. To show this, we denote with X? the dual space of X and we introduce operators M : V × W → V ? × W? , A : V × W → V ? × W? , D : V × W → Q? , Mp : Q → Q? , defined by " # " #! y? y := M s , s v?f vf " # " #! y? y , M s , s v?f vf " # " #! y y? := (CHooke ε(ys ), ε(y?s )) + ∆t (φ2µf ε(vf ), ε(v?f )) , A s , s ? vf vf D " # ys vf ! ,p ? := (div ((1 − φ)ys ) , p? ) + ∆t (div (φvf ) , p? ) , Mp p, p? := (1 − φ)2 p, p? , κs for all (ys , vf , p) ∈ V × W × Q and (y?s , v?f , p? ) ∈ V × W × Q, where we set " # ρs (1−φ) φ2 −1 2 k−1 I + k −φ 2 ∆t f f ∆t M := ∈ R2d×2d . −1 −1 2 2 −φ kf ρf φI + ∆t φ kf Defining also the load operators ρs (1 − φ) n−1 n−2 ? n ? n ? (f , ys ) := (fs , ys ) + (2ys − ys ), ys ∆t2 2 φ −1 n−1 ? + k ys , ys , ∆t f ? n−1 ? n−1 ? (gn , v?f ) := ∆t (fn , vf − φ2 k−1 y , v , s f f , vf ) + ρf φvf f n ? (h , p ) := (1 − φ)2 n−1 ? , p + div (1 − φ)ys n−1 , p? , p κs the poroelasticity model (60) can be rewritten as ! n # " y fn s > M + A −D n n in V ? × W ? × Q? . vf = g , D Mp pn hn (61) Note, that M has the character of a scaled L2 (Ω) inner product, A is an elasticity/diffusion operator, D is a divergence-like operator, and 71 72 iterative schemes for poromechanics Mp acts as scaled L2 (Ω) inner product on the pressure space. Under these considerations, (61) has the structure of an unsteady compressible Stokes system, and we shall refer to A as the reaction part and M as the diffusion part. Remark (Coupling character). We make two observations, relevant for the following discussion of iterative splitting schemes: • Unlike for the Biot equations, each of the three equations exhibits crosscoupling to all remaining equations, whereas, for the Biot equations, the ys − vf coupling operator is absent. • Only the (ys , vf ) − p coupling has a saddle-point character, whereas the ys − vf is symmetric. In particular, in contrast to the quasi-static Biot equations, the ys − (vf , p) coupling is neither symmetric nor of saddle-point type. 4.2 the undrained splitting scheme In the following, we introduce an iterative splitting for the semidiscrete approximation (60), decoupling the momentum equation for the solid phase and the fluid flow equations. The construction and analysis of the resulting iterative decoupling scheme is motivated by the general framework introduced in [39]. The central idea is to reformulate the discrete approximation as an auxiliary convex minimization problem and apply alternating minimization. Ultimately, reformulated in terms of (60), the final scheme is closely related to the undrained split for the quasi-static Biot equations [111], adding a div-div stabilization term to the momentum equation for the solid phase. A crucial assumption, as in the case of the quasi-static Biot equations, is non-vanishing compressibility: Assumption 1. It holds 1 N := (1−φ)2 κs > 0 almost everywhere in Ω. Problem formulation as convex minimization 4.2.1 We choose ys n and vn f as primary variables. Under Assumption 1, the mass conservation equation can be inverted wrt. the pressure, such that n n pn = N ∆t gn (62) p − ∆t div (φvf ) − div ((1 − φ) ys ) , where gn p := 1 (1 − φ)2 1 n−1 p + div (1 − φ) ys n−1 . κs ∆t ∆t 4.2 the undrained splitting scheme 73 This allows to formally reduce (60) to a two-field formulation for the solid displacement and fluid velocity: Find (ys n , vn f ) ∈ V × W such that for all test functions (y?s , v?f ) ∈ V × W it holds that ρs (1 − φ) n ? ys , ys + (CHooke ε(ys n ), ε(y?s )) ∆t2 n n ? + N −∆t gn p + ∆t div (φvf ) + div ((1 − φ) ys ) , div ((1 − φ)ys ) 1 n ? , y?s = (gn vn ys (63a) − φ2 k−1 s , ys ) , f − f ∆t ? n ? (φvn f , vf ) + ∆t (φ2µf ε(vf ), ε(vf )) n ? n + N −∆t gn p + ∆t div (φvf ) + div ((1 − φ) ys ) , ∆t div (φvf ) 1 n ? ? 2 −1 n , vf = ∆t (gn (63b) + ∆t φ kf vf − ys f , vf ) , ∆t where we multiplied the momentum equation for the fluid by ∆t. We ? n ? also considered gn s ∈ V and gf ∈ W as given by ? ρs (1 − φ) n ? n ? n−2 n−1 (gs , ys ) := (fs , ys ) + , ys − ys 2ys ∆t2 ! φ2 k−1 f + ys n−1 , y?s , y?s ∈ V, ∆t ? n ? n−1 ? n−1 ? (gn , vf − φ2 k−1 , vf , v?f ∈ W. f , vf ) := (ff , vf ) + φvf f ys The symmetry of (63) reveals that it corresponds to the optimality conditions of a block-separable convex minimization problem. Namely it holds (ys n , vn f )= arg min J(ys , vf ), (64) (ys ,vf )∈V×W with the objective function given by 1 1 ρs (1 − φ) ys , ys + (CHooke ε(ys ), ε(ys )) (65) J(ys , vf ) := 2 2 ∆t 2 1 ∆t (φ2µf ε(vf ), ε(vf )) + (ρf φvf , vf ) + 2 2 N 2 + ∆t gn p − ∆t div (φvf ) − div ((1 − φ) ys ) L2 (Ω) 2 1 ∆t 1 2 −1 + φ kf vf − ys , vf − ys 2 ∆t ∆t n − (gn s , ys ) − ∆t (gf , vf ) . The problem formulation (64)-(65) is the basis for the following construction and convergence analysis of a robust split scheme for (60). 4.2.2 Robust splitting via alternating minimization Motivated by [39], we propose an iterative splitting of the problem (60) by applying the fundamental alternating minimization algorithm 74 iterative schemes for poromechanics to the equivalent variational formulation (64). This results in Algorithm 1. Algorithm 1: Iteration k > 1 of the alternating minimization applied to (64) 1 Input: (ys n,k−1 , vn,k−1 ) ∈ V ×W f 2 Determine ys n,k := arg minys ∈V J(ys , vn,k−1 ) f 3 Determine vn,k := arg minvf ∈W J(ys n,k , vf ) f By introducing a pressure iterate analogous to (62) n,k n,k (1 , − φ) y − div pn,k := N ∆t gn − ∆t div φv s p f k > 0, the resulting scheme can be reformulated in the frame of a threefield formulation corresponding to (60). The k-th iteration of the iterative splitting scheme decouples in two steps and reads equivalently: Given (vn,k−1 , pn,k−1 ) ∈ W × Q, find ys n,k ∈ V satisfying for all f y?s ∈ V the following: ys n,k − 2ys n−1 + ys n−2 ? ρs (1 − φ) , ys + CHooke ε(ys n,k ), ε(y?s ) 2 ∆t + N div (1 − φ)(ys n,k − ys n,k−1 ) , div ((1 − φ)y?s ) − pn,k−1 , div ((1 − φ)y?s ) ys n,k − ys n−1 n,k−1 2 −1 ? ? − φ kf vf − , ys = (fn s , ys ) . ∆t (66) n,k ) ∈ W × Q, The second step reads: Given ys n,k ∈ V, find (vn,k f ,p satisfying for all (v?f , p? ) ∈ W × Q the following: ! vn,k − vn−1 ? ? f f , vf + φ2µf ε(vn,k ), ε(v ) − pn,k , div (φv?f ) ρf φ f f ∆t ys n,k − ys n−1 n,k 2 −1 ? ? + φ kf vf − , vf = (fn f , vf ) , (67a) ∆t (1 − φ)2 pn,k − pn−1 ? ? , p + div φvn,k , p f κs ∆t ys n,k − ys n−1 ? , p = 0. (67b) + div (1 − φ) ∆t Due to the close relationship to the undrained split for the quasistatic Biot equations [111], we adapt the name and call the above scheme (66)–(67) the undrained split for the poroelasticity model (60). In equation (66), the operator N div (1 − φ)(ys n,k − ys n,k−1 ) , div ((1 − φ)y?s ) naturally emerges to stabilize the increment of ys n at each iteration, such that convergence is guaranteed, as we show in Section 4.4.1. 4.3 a diagonally stabilized splitting scheme 4.3 a diagonally stabilized splitting scheme Here we propose an alternative approach for splitting the computation of the solid displacement ys and the fluid flow problem governing (vf , p). In contrast to the undrained split presented in Section 4.2, stabilization is added to the fluid flow problem, in particular to the pressure equation. However, we will see later that stabilizing any of the equations is actually allowed. In the context of the classical Biot equations, the fixed-stress split follows this philosophy [37, 110, 111, 173]. The L2 type stabilization added to the pressure equation origins from the motivation to fix the total stress while solving the fluid flow problem. However, for the new poromechanics problem it is difficult to directly connect a stabilization with a physical interpretation as fixing the total stress. An alternative interpretation is an appropriate approximation of the Schur complement of the fluid flow problem with respect to the solid problem. Here, it is important that the solid displacement and the fluid velocity are not directly coupled, only via the fluid pressure. In the context of the model considered here, depending on the analysis technique, stabilizing merely the pressure equation with an L2 type stabilization seems not to lead to an unconditionally stable algorithm. This is due to the fact that a displacement-flow split does not respect any symmetry or saddle point structure; we recall that the ys − vf coupling is symmetric, whereas the ys − p coupling is skew-symmetric. For this reason, a Schur complement of the fluid equations with respect to the solid equations may not necessarily be symmetric positive definite and a pressure-stabilized approach may not be the optimal strategy to cure this problem. 4.3.1 Two-way splitting scheme The undrained split developed and analyzed in Section 4.2 has some short-comings. Most evidently, in the incompressible case, it is not defined. Experience on splitting schemes for the quasi-static Biot equations shows that a pressure-stabilized splitting schemes may feature better performance [110]. This motivates exploring pressure-stabilized splitting schemes for the poroelasticity model (60). Compared to the quasi-static Biot equations, the considered model for the thermodynamically consistent poroelasticity model (60) makes it more challenging to develop a robust pressure-stabilized iterative split à la the fixed-stress split. There are mainly two reasons: (i) The different scalings in the momentum equation for the solid phase in principle interpolate between a generalized steady Stokes system and a generalized mixed Poisson system and (ii) the coupling between the displacement and the remaining variables is neither of saddle point type, nor is it a symmetric coupling, cf. Remark 4.1. Consequently, a 75 76 iterative schemes for poromechanics naive fixed-stress split ansatz cannot be unconditionally robust. We also stress that although utilizing the framework presented in [39] would yield a robust pressure-stabilized split, the required application of duality arguments as presented seems not practical in this case due to (i). According to the previous considerations, we go beyond the fixedstress split and we propose a diagonal L2 -stabilization of the iterative splitting method across all three subproblems. In the following, let βs (tensor), βf (tensor), βp > 0 be stabilization parameters, potentially varying in space. The subsequent convergence analysis will reveal whether stabilizing a particular subproblem is additionally beneficial. One iteration can be decomposed into two steps. Following the philosophy of the fixed-stress approach, the fluid flow problem is solved first (this is not necessary for convergence). The fluid flow step n,k ) ∈ V × W × Q, satisfying reads: Given ys n,k−1 ∈ V, find (vn,k f ,p for all (v?f , p? ) ∈ W × Q the following: ! n−1 vn,k − v ? f ρf φ f , v?f + φ2µf ε(vn,k ), ε(v ) (68a) f f ∆t n,k−1 ? − pn,k , div (φv?f ) + βf (vn,k − v ), v f f f ys n,k−1 − ys n−1 ? , v?f = (fn + φ2 k−1 vn,k − f , vf ) , f f ∆t (1 − φ)2 pn,k − pn−1 ? , p + βp (pn,k − pn,k−1 ), p? (68b) κs ∆t ys n,k−1 − ys n−1 n,k ? ? + div φvf , p + div (1 − φ) , p = 0. ∆t n,k ) ∈ W × Q, The second (solid mechanics) step reads: Given (vn,k f ,p find ys n,k ∈ V satisfying for all y?s ∈ V the following: ys n,k − 2ys n−1 + ys n−2 ? , ys + CHooke ε(ys n,k ), ε(y?s ) ρs (1 − φ) 2 ∆t n,k n,k−1 + βs (ys − ys ), y?s − pn,k , div ((1 − φ)y?s ) ys n,k − ys n−1 n,k 2 −1 ? ? − φ kf vf − , ys = (fn s , ys ) . (69) ∆t Hence, a general stabilized split is proposed where suitable values for the stabilization parameters will be determined using a convergence analysis, in order to guarantee unconditional stability. 4.3.2 Three-way splitting scheme A diagonally stabilized two-way split (68)–(69) still involves solving a saddle-point problem (wrt. to vf and p). Hence, it is not perfectly 4.3 a diagonally stabilized splitting scheme 77 suitable as a preconditioner for a Krylov subspace method. This motivates to derive a 3-way split version of the diagonally stabilized twoway split (68)–(69). For this, the coupled saddle point problem (68) is decoupled such that approximations for vf and p are determined separately. As the second step is identical to solving an elasticity problem, only the first step has to be discussed appropriately. We utilize in following the so-called Cahouet-Chabard preconditioner [51] for (68), which has been theoretically shown to be a uniform preconditioner in the sense of uniform spectral equivalence [125, 146]. The fluid-pressure problem (68) can be rewritten as #" # " Mf + Af −BT vf B C = " # rf p rp , (70) for corresponding residual vectors rf , rp and considering the following operators: Mf vf = − div φσf (vf ), φρf 2 −1 Af vf = + φ kf + βf vf , ∆t Bvf = div(φvf ), BT p = φ ∇ p, (1 − φ)2 + βp . Cp = κs ∆t We denote the Schur complement with respect to vf as Sp = B(Mf + Af )BT and note that system (70) can be reformulated as an iterative scheme, by means of the approximation identity Sp (pk+1 − pk ) = −C(pk+1 − pk ), as " #" # " #" # " #" # " # r Mf + Af −BT vfk+1 0 0 vk 0 0 ? f + + = f , k+1 k+1 k C p B 0 ? 0 Sp p −p rp or in residual form as " #" # Mf + Af −BT vfk+1 − vk f 0 C + Sp pk+1 − pk = " # rf rp − " #" # Mf + Af −BT vk f B C . pk (71) The scope of the proposed splitting scheme is that of obtaining an approximation of Sp which corresponds to the addition of two contributions, one obtained as the approximate Schur complement for the case Af Mf (reaction-dominant) and another one for the case Mf Af (diffusion-dominant). The basis of the derivation is the ink−1 k k k−1 crements problem, so we define dk and dk p = p −p f = vf − vf to rewrite (71) as " #" # " #" # " #" # k Mf + Af −BT dk+1 0 0 d 0 0 ? f + f + = 0, k+1 C dp B 0 ? 0 Sp dk+1 − dk p p 78 iterative schemes for poromechanics (72) which yields the fundamental scaling argument, which states that the approximated Schur complement Ŝp satisfies k Ŝp dk p ≈ Bdf . (73) reaction dominated approximation. In this case, we consider Af Mf . This yields the following strong problem: Find (vf , p) in W × Q such that φρf 2 −1 k + φ kf + βf dk f + φ ∇ dp = 0, (74a) ∆t (1 − φ2 ) k k−1 + β p dk ) + div(φdk−1 ) = 0. (74b) p + Ŝp (dp − dp f κs ∆t Integration by parts gives the following boundary conditions: dk f =0 on f ΓD , dk p =0 on f ΓN . Also note that system (74) together with its boundary conditions implies that f ∇ dk on ΓD , p =0 assuming φ ∈ (0, 1). This results in looking for the pressure in H1 instead of L2 in this case. Using the scaling relation (73) in problem (74) we obtain that the reaction dominant Schur complement approximation Ŝp,Af satisfies ! −1 φρf 2 −1 k k k + φ kf + βf φ ∇ dp , Ŝp dp ≈ − div(φdf ) = − div φ ∆t which yields 2 Ŝp,Af dk p = − div φ φρf + φ2 k−1 f + βf ∆t −1 ! ∇ dk p . diffusion dominated case. In this case we have Mf Af , which gives the following strong problem: Find (vf , p) in W × Q such that k − div φσf (dk f ) + φ ∇ dp = 0, (75a) (1 − φ2 ) k k−1 + β p dk ) + div(φdk−1 ) = 0, (75b) p + Ŝp (dp − dp f κs ∆t where again using the scaling relation (73) with (75) we obtain the approximated Schur complement Ŝp,Mf which satisfies k −1 Ŝp,Mf dk φ ∇ dk p ≈ − div(φdf ) = − div(φ[−φ div σf (·)] p) ≈ φd k d . 2µf p 4.3 a diagonally stabilized splitting scheme 79 Note that the differential operators cancel out, whereas the problem dimension d comes from the scaling of the symmetric gradient, which satisfies tr ε 6 d ε : ε. This yields Ŝp,Mf = φd . 2µf the three-way split. The resulting scheme is the previous diagonal split but with an additional decoupling of problem (68) and reads as follows: 1. Compute the diffusion dominated pressure as follows: Given (ys n,k−1 , vn,k−1 ) ∈ V × W, find pn,k ∈ Q, satisfying for all 1 f ? p ∈Q ! n−1 (1 − φ)2 pn,k ? 1 −p ,p κs ∆t n,k−1 ? CC,1 n,k n,k−1 ? + βp (pn,k − p ), p + β (p − p ), p p 1 1 (76a) ys n,k−1 − ys n−1 n,k−1 ? ? , p = 0, + div φvf , p + div (1 − φ) ∆t where βp is chosen as before, and βCC,1 = p φd 2µf . 2. Compute the reaction dominated pressure as follows: Given (ys n,k−1 , vfn,k−1 ) ∈ V × W, find pn,k ∈ Q̃, satisfying for all 2 ? p ∈ Q̃ ! n−1 − p (1 − φ)2 pn,k 2 , p? κs ∆t n,k−1 n,k−1 + βp (pn,k ), p? + βCC,2 ∇(pn,k ), ∇ p? p 2 −p 2 −p ys n,k−1 − ys n−1 n,k−1 ? ? + div φvf , p + div (1 − φ) , p = 0, ∆t −1 fφ where βp is chosen as before, and βCC,2 = φ2 ρ∆t I + βf + φ2 k−1 . p f Boundary conditions have to be assigned by altering the trial and test spaces for pressure. We assign zero Dirichlet boundary condtions for the pressure increments on the complement of the Dirichlet boundary for the fluid velocity. 3. Mix the pressures through two constants α1 , α2 in R with n,k pn,k = α1 pn,k 1 + α2 p2 . 80 iterative schemes for poromechanics 4. Compute the fluid velocity as follows: Given (ys n,k−1 , pn,k ) ∈ V × Q, find vn,k ∈ W, satisfying for all v?f ∈ W f ! − vn−1 vn,k ? ? f f ρf φ , vf + φ2µf ε(vn,k ), ε(v ) f f ∆t − pn,k , div (φv?f ) n,k−1 ? + βf (vn,k − v ), v f f f ys n,k−1 − ys n−1 n,k ? ? 2 −1 , vf = (fn vf − + φ kf f , vf ) . ∆t 5. Compute the solid displacement by solving (69). Remark. The mixing of the pressures could be performed optimally by means of Aitken acceleration [3] as in [69]. In practice we have seen that Anderson acceleration performs better than Aitken in this context, and even though combining both might theoretically further boost performance, in practice it deteriorates it. Because of this, we prefer the proposed approach. 4.4 convergence analysis In this section, we address the a priori convergence analysis of both the undrained split (66)–(67) and the diagonally L2 -stabilized two-way split (68)–(69), proposed in Sections 4.2 and 4.3 respectively. The two primary goals are to (i) prove the linear convergence of the undrained split, and (ii) determine ranges and specific practical values for the stabilization parameters employed within the diagonally L2 -stabilized two-way split ensuring convergence. After all, the knowledge of a priori convergence rates remains only of theoretical interest. The two goals will be achieved using different techniques. For (i) the interpretation of the undrained split as alternating minimization applied to a strongly convex minimization problem is extensively exploited, allowing for the systematic application of sharp abstract convergence results from the literature; for (ii) a slightly more technical approach is chosen due to the fact that the two-way split (68)–(69) does not fully conform with any (skew) symmetry. In particular, an abstract relative stability concept is introduced and employed, allowing for deducing the slightly weaker result of r-linear convergence for subsequences. The analyses of the two schemes are separately presented in the following two subsections. 4.4.1 Convergence analysis of the undrained split Guaranteed linear convergence of the undrained split (66)–(67) is a direct consequence of its interpretation as alternating minimization applied to a (strongly) convex optimization problem [18]. Furthermore, 4.4 convergence analysis 81 using simple yet largely sharp abstract convergence results for alternating minimization in a Banach space setting, an upper bound of the rate of convergence can be provided [35]. In the aforementioned work, it is showed that in each of the two steps of the alternating minimization, the energy values of the iterates are sequentially decreased with the decrease merely governed by convexity and continuity properties of the restricted minimization problems. Since the energy J is quadratic, energy differences relative to the optimum will directly translate to distances to the solution, measured in the problem-specific norm induced by the Hessian of the energy (at an arbitrary point). We define | · | on V × W by ρs (1 − φ0 ) ? ? ? ? 2 |(ys , vf )| := ys , ys + (CHooke ε(y?s ), ε(y?s )) ∆t2 + (ρf φ0 v?f , v?f ) + ∆t (φ0 2µf ε(v?f ), ε(v?f )) + N k∆t div (φ0 v?f ) + div ((1 − φ0 )y?s )k2 1 ? 1 ? 2 −1 ? ? vf − + ∆t φ0 kf y , vf − y , ∆t s ∆t s for all (y?s , v?f ) ∈ V × W. In order to estimate the rate of convergence, suggested by the below convergence analysis, we introduce a technical, a priori determined material constant γ > 0, given by γ := min max {γ1 (ζ, η, ϑ), γ2 (ζ, η, ϑ)} , (79) ζ>0 η∈[0,1] ϑ∈[0,1] where γ1 (ζ, η, ϑ) :=(1 + ζ−1 )ηN∆t2 γ2 (ζ, η, ϑ) :=(1 + ζ) |∇ φ0 |2 ρs (1 − φ0 ) + ϑ∆t L∞ (Ω) φ0 2 κ−1 m ρs (1 − φ0 ) , L∞ (Ω) N CKorn,2 + (1 + ζ−1 )(1 − η)NCKorn,1 + (1 − ϑ) , Kdr,φ0 ,min ∆t κm > 0 denotes the smallest eigenvalue of the permeability tensor kf , Kdr,φ0 ,min > 0 is a porosity dependent bulk modulus type constant given by 2 −1 K−1 dr,φ0 ,min := (1 − φ0 ) I : CHooke : I L∞ (Ω) , and CKorn,1 , CKorn,2 > 0 take on the role of generalized Korn/Poincaré constants, defined as the minimum positive numbers such that ∇ φ0 > ∇ φ0 y?s , y?s 6 CKorn,1 (CHooke ε(y?s ), ε(y?s )) , for all y?s ∈ V, ? ? ? ? ? φ0 2 k−1 f ys , ys 6 CKorn,2 (CHooke ε(ys ), ε(ys )) , for all ys ∈ V. It is fair to assume that CKorn,1 and CKorn,2 are closely related to the inverse of the drained bulk modulus Kdr := Kdr,0,min . Finally, focussing only on the fully transient model, the linear convergence result for the undrained split reads as follows. 82 iterative schemes for poromechanics n Theorem 11 (Linear convergence of the undrained split). Let (yn s , vf ) ∈ n,k n,k V × W, n > 2, denote the solution to (64), and let (ys , vf ) ∈ V × W, k > 1, denote the corresponding approximation defined by Algorithm 1. Let γ > 0 be the material constant defined as in (79). Then, for all k > 1, it holds that 2 n,k (yn,k − yn − vn s s , vf f ) 2 1 n,k−1 6 1− (yn,k−1 − yn − vn s s , vf f ) 1+γ 2 . This convergence result is similar to the undrained split for the quasi-static Biot equations [129]. In particular, the theoretical result suggests degenerating convergence for nearly incompressible and impermeable media. In contrast to the quasi-static Biot equations, due to the nature of the model, porosity heterogeneities may substantially affect the performance of the splitting scheme. The proof of Theorem 11 is a direct application of the following abstract convergence result for the alternating minimization, here specifically formulated in terms of Algorithm 1. Lemma 22 (Convergence of the alternating minimization [35]). Let | · |, | · |m , and | · |f denote semi-norms on V × W, V, and W, respectively, such that: (A1 ) There exist βm , βf > 0, such that for all (y?s , v?f ) ∈ V × W it holds that |(y?s , v?f )|2 > βm |y?s |2m and |(y?s , v?f )|2 > βf |v?f |2f . Let J : V × W → R be Frechét differentiable with DJ denoting its derivative such that: (A2 ) The energy J is strongly convex with respect to | · | with modulus σ > 0, i.e., for all ys , ūs ∈ V and vf , v̄f ∈ W it holds that J(ūs , v̄f ) > J(ys , vf )+ (DJ(ys , vf ), (ūs − ys , v̄f − vf )) + σ |(ūs − ys , v̄f − vf )|2 . 2 (A3 ) The partial functional derivatives Dys J and Dvf J are uniformly Lipschitz continuous wrt. | · |m and | · |f with Lipschitz constants Lm and Lf , respectively, i.e., for all (ys , vf ) ∈ V × W and (y?s , v?f ) ∈ V × W it holds that Lm ? 2 |ys |m , J(ys + y?s , vf ) 6 J(ys , vf ) + Dys J(ys , vf ), y?s + 2 L J(ys , vf + v?f ) 6 J(ys , vf ) + Dvf J(ys , vf ), v?f + f |v?f |2f . 2 4.4 convergence analysis n,k n,k n Let (yn s , vf ) ∈ V × W denote the unique solution to (64), and let (ys , vf ) ∈ V × W denote the corresponding approximation defined by Algorithm 1. Then, for all k > 1 it follows that n,k n n J(yn,k s , vf ) − J(ys , vf ) β σ n,k−1 n,k−1 βm σ n 1− f 6 1− J(ys , vf ) − J(yn , v ) . s f Lm Lf With this, we are able to prove Theorem 11. Proof of Theorem 11. In order to apply Lemma 22, we need to verify conditions (A1 ) − (A3 ). First of all, we note that the energy J is quadratic. Since | · | is induced by the Hessian of J, i.e., |(y?s , v?f )|2 := D2 J(ys , vf )(y?s , v?f ), (y?s , v?f ) , (y?s , v?f ) ∈ V × W, (80) (for arbitrary (ys , vf ) ∈ V × W), the convexity property (A2 ) is satisfied with σ = 1. Similarly, by defining | · |m and | · |f on V and W, respectively, as partial Hessians of J |y?s |2m := D2ys J(ys , vf )y?s , y?s , y?s ∈ V, |v?f |2f := D2vf J(ys , vf )v?f , v?f , v?f ∈ W, (for arbitrary (ys , vf ) ∈ V × W), the smoothness property (A3 ) is satisfied with Lm = Lf = 1. It remains to examine (A1 ). In the following, we show that one can choose βm = βf = (1 + γ)−1 , i.e., it holds |y?s |2m 6 (1 + γ)|(y?s , v?f )|2 , |v?f |2f 6 (1 + γ)|(y?s , v?f )|2 , for all (y?s , v?f ) ∈ V × W, for all (y?s , v?f ) ∈ V × W. (81a) (81b) For both estimates, the following inequality will be of help 1 T ? := N kdiv ((1 − φ0 )y?s )k2 + φ0 2 k−1 y?s , y?s f {z } ∆t | | {z } =:T1 6γ =:T2 ρs (1 − φ0 ) ? ? ? ? ys , ys + (CHooke ε(ys ), ε(ys )) . ∆t2 (82) Indeed, for T1 , using the product rule, the Cauchy-Schwarz inequality and Young’s inequality, we obtain for all ζ > 0 T1 6 (1 + ζ) k(1 − φ0 ) div y?s k2 +(1 + ζ−1 ) k∇ φ0 · y?s k2 . | {z } {z } | =:T10 =:T100 83 84 iterative schemes for poromechanics Further, employing the definitions of Kdr,φ0 ,min and CKorn,1 , it follows that 1 (CHooke ε(y?s ), ε(y?s )) , Kdr,φ0 ,min > ρs (1 − φ0 ) ? ? 00 2 ∇ φ0 ∇ φ0 T1 6 ∆t ys , ys , ρs (1 − φ0 ) ∆t2 ∞ T10 6 T100 6 L (Ω) ? CKorn,1 (CHooke ε(ys ), ε(y?s )) . Similarly, employing the definitions of κm and CKorn,2 , for T2 it holds 2 T2 6 ∆t T2 6 φ0 2 κ−1 m ρs (1 − φ0 ) ρs (1 − φ0 ) ? ? ys , ys , ∆t2 L∞ (Ω) CKorn,2 (CHooke ε(y?s ), ε(y?s )) . By balancing the different upper bounds for T100 and T2 , and employing the definitions of γ1 and γ2 , we obtain for all ζ > 0, η ∈ [0, 1] and θ ∈ [0, 1] ρs (1 − φ0 ) ? ? ? T 6 γ1 (ζ, η, θ) ys , ys + γ2 (ζ, η, θ) (CHooke ε(y?s ), ε(y?s )) ∆t2 and thereby (82) follows. Finally, we show (81). By definition of | · |m it holds that ρs (1 − φ0 ) ? ? ? ? ? |y?s |2m = y , y s s + (CHooke ε(ys ), ε(ys )) + T . ∆t2 Hence, (81a) follows from (82). By definition of | · |f , suitable addition and subtraction, and application of the Cauchy-Schwarz inequality and Young’s inequality, it holds |v?f |2f = (ρf φ0 v?f , v?f ) + ∆t (φ0 2µf ε(v?f ), ε(v?f )) ? ? + N k∆t div (φ0 v?f )k2 + ∆t φ0 2 k−1 f vf , vf 6 (ρf φ0 v?f , v?f ) + ∆t (φ0 2µf ε(v?f ), ε(v?f )) + (1 + γ) N k∆t div (φ0 v?f ) + div ((1 − φ0 )y?s )k2 1 ? 1 ? 2 −1 ? ? + (1 + γ) ∆t φ0 kf vf − y , vf − y ∆t s ∆t s + 1 + γ−1 T ? 6 (1 + γ)|(y?s , v?f )|2 . Hence, we obtain (81b), and thereby (A1 ). Ultimately, the assumptions of Lemma 22 are satisfied, and it follows for all k > 1 that n,k n n J(yn,k s , vf ) − J(ys , vf ) 6 1 − (1 + γ)−1 2 n,k−1 n,k−1 n J(ys , vf ) − J(yn s , vf ) . 4.4 convergence analysis n Moreover, since J is quadratic, (yn s , vf ) is a local minimum of J, and | · | is induced by the functional Hessian of J via (80), we have that n,k n,k n n n,k J(yn,k − yn − vn s , vf ) − J(ys , vf ) = 2 (ys s , vf f ) 2 for all k > 0. Thereby, the assertion follows. 4.4.2 Convergence analysis of diagonal split The essence of the fixed-stress-like split (68)–(69) is the decoupling of the mechanical displacement from the remaining variables (fluid pressure and velocity). Such a split does neither fully conform with a symmetry nor a saddle point structure of the governing equations. In view of a convergence analysis aiming at employing some contraction argument or similar, it therefore cannot be expected that all coupling terms can be simultaneously canceled by suitable testing as often done [37]. To mitigate this complication, the concept of relative stability will be exploited instead, allowing for a simpler discussion of the coupling terms. In the following, the analysis is presented in two steps: (i) a central abstract convergence result for positive real-valued sequences satisfying a relative stability property is introduced; (ii) the result is applied to the fixed-stress-like split (68)–(69) to show a priori convergence. For reference, we present the definition of r-linear convergence [152]. Definition 12 (r-linear convergence). A sequence {xk }k converges to x? r-linearly if there exists a positive sequence {k }k such that |xk − x? | < k where ∀k > 1, k+1 < 1.1 k→∞ k lim 4.4.2.1 Abstract convergence criterion based on relative stability Consider a real-valued (positive) sequence {xk }k ⊂ R+ satisfying the stability property: There exists a constant c > 0 such that c ∞ X xk+i 6 xk for all k ∈ N. i=1 (83) This relative stability criterion ensures r-linear convergence for subsequences, a weaker form of standard r-linear convergence, covering both contractive and certain non-contractive sequences. 1 This last property is known as q-linear convergence of {k }k to 0. 85 86 iterative schemes for poromechanics Lemma 23 (r-linear convergence for subsequences). Let {xk }k ⊂ R+ and c > 0 satisfy (83). Then there exists a subsequence {xkl }l which converges r-linearly with xkl 6 min m∈N 1 cm m1 !kl x0 . Before, presenting the proof of Lemma 23, we state an auxiliary result. Lemma 24. Let {xk }k ⊂ R+ and c > 0 satisfying (83). Then for any k ∈ N 1 and ε > 0 there exists some n ∈ {0, 1, ..., cε } such that xk+n 6 εxk . Proof. Let k ∈ N and ε > 0 be arbitrary but fixed. Assume without loss of generality that xk > 0. Then the assertion follows 1 by contradiction: Assume it holds xk+i > εxk , for all i = 1, ..., cε ; we conclude that it holds c ∞ X xk+i > c i=1 1 dX cε e xk+i > cε i=1 1 cε xk > xk , which contradicts (83). Proof of Lemma 23. The idea of the proof is to deduce q-linear convergence for subsequences first, and then conclude r-linear convergence. Assume without loss of generality that x0 > 0. Let m ∈ N such that 1 1 cm > 1, and let ε := cm < 1, such that cε = m. By Lemma 24 there exists some n1 ∈ {1, ..., m} such that it holds xn1 6 εx0 . Analogously, for any i = 2, ..., there exists some ni ∈ {1, ..., m}, satisfying xPi−1 n +n 6 εxPi−1 n . All in all, defining {kl }l ⊂ N by setting j i j=1 j Pj=1 l kl := j=1 nj for all l ∈ N, it holds that xkl l kl 6 εl x0 = ε kl x0 6 1 cm m1 !kl x0 , (84) since ε < 1 and nj 6 m for all j, such that it holds that ε l kl =ε l Pl j=1 nj 6ε l lm = 1 cm m1 . Since m has been left arbitrary so far, the a priori bound (84) holds for m, minimizing the right hand side of (84), which finally yields the assertion. 4.4.2.2 Convergence analysis of the fixed-stress split based on the concept of relative stability In the following, we prove linear convergence (for subsequences) of the diagonally L2 -stabilized two-way split (68)–(69). The primary aim 4.4 convergence analysis 87 of the analysis is to determine ranges for the stabilization parameters βs , βf and βp , which a priori guarantee convergence; in addition, we are going to suggest a practical (not necessarily optimal) set of values. Hereby, any accurate optimization of (non-sharp) theoretical convergence rates or stability constants is disregarded, in view of previous experience with the fixed-stress split for the quasi-static Biot equations [173]. For the convergence analysis, the concept of relative stability and r-linear convergence for subsequences is applied, as introduced in the previous section. Ultimately, the final result states that it is sufficient to stabilize the mass conservation equation along the lines of the fixed-stress split for the quasi-static Biot equations [37, 110, 111, 173], in order to guarantee convergence. Furthermore, additional destabilization, i.e., negative stabilization, of the momentum equation for the solid phase theoretically improves the convergence speed; we note, that such destabilization is conceptually in agreement with a decoupling of the two symmetrically coupled momentum equations via a Schur-complement ansatz. Fluid stabilization does not add any additional improvement. To ease the presentation of the analysis, we introduce notation ((·))2A for weighted squares ((ω))2A := (Aω, ω) , where ω can be a tensor-, vector- or scalar-valued function on Ω, and the weight A is a function on Ω with adequate dimensionality such that the above definition is well-defined. For uniformly positive definite A, ((·))2A induces a norm, and we write k · k2A := ((·))2A ; though, the use of non-positive definite weights is also permitted. We state the main convergence result for the diagonally L2 -stabilized two-way split (68)–(69). Lemma 25 (Relative stability and convergence of the diagonally L2 -stabilized n,k n,k two-way split). Let dk − yn,k−1 ∈ V, dk − vn,k−1 ∈ W, s s := ys f := vf f n,k − pn,k−1 ∈ Q denote separate increments for k > 1. For and dk := p p any γ1 > 0 and γ2 ∈ (0, 2), and stabilization parameters βs − φ0 2 k−1 f , 2∆t βf 0, 2 1/2 1 CKorn,1 + 1/2 Kdr,φ ,min 0 , βp > γ2 ∆t (85a) (85b) (85c) 88 iterative schemes for poromechanics where A B for tensor-valued maps A and B on Ω iff. A − B is uniformly positive definite, the scheme (68)–(69) satisfies the relative stability property ∞ X 1 γ2 k 2 k 2 kd k + 1− ε(ds ) C Hooke ∆t2 s ρs (1−φ0 ) 2 k=m+1 ∞ X k 2 k 2 k 2 + kdf kρf φ0 + ∆t ε(df ) φ 2µ + dp (1−φ0 )2 0 f k=m+1 6 1 m 2 γ1 + γ2 2 kd k kε(dm 2 −1 + s )kCHooke 2 s βs + φ0 ∆tkf 2 ∆t m 2 ∆t m 2 kdf kβf + + dp 2 2 1/2 + C β p + κs 2 1 Korn,1 1/2 K dr,φ0 ,min γ1 ∆t (86) for any m ∈ N. Furthermore, it is r-linearly convergent (modulo subsequences) if (1−φ0 )2 κs is uniformly positive. Proof. By subtracting (68)–(69) at iteration k and k − 1, k > 2, we obtain for the increments dk ? k k−1 ), y?s ρs (1 − φ0 ) s2 , y?s + CHooke ε(dk s ), ε(ys ) + βs (ds − ds ∆t (87a) k ds ? 2 −1 − dk , y?s = 0, dk p , div ((1 − φ0 )ys ) − φ0 kf f − ∆t dk ? ? k k−1 f ρf φ0 , vf + φ0 2µf ε(dk ), v?f f ), ε(vf ) + βf (df − df ∆t (87b) k−1 ds ? 2 −1 − dk dk , v?f = 0, p , div (φ0 vf ) + φ0 kf f − ∆t ! (1 − φ0 )2 dk p k−1 , p? + βp (dk ), p? (87c) p − dp κs ∆t ? dk−1 s k ? + div φ0 df , p + div (1 − φ0 ) , p = 0. ∆t 4.4 convergence analysis 89 k ? k ? Testing (87) with y?s = dk s , vf = ∆t df , and p = ∆t dp , summing up the three equations, and finally summing over iteration indices k = m + 1, ..., M, for arbitrary m < M, yields M X k=m+1 1 kdk k2 + ε(dk s) ∆t2 s ρs (1−φ0 ) M X + 2 CHooke 2 + kdk f kρf φ0 2 ε(dk f ) φ 2µ 0 f + ∆t + dk p | {z } =:T1 M X k k−1 dk ) p , div (1 − φ0 )(ds − ds k=m+1 {z | } =:T2 M X + ∆t | k=m+1 k ds dk−1 dk s s 2 −1 k k k . , − φ k , d φ0 2 k−1 d − d − 0 f f f f f ∆t ∆t ∆t {z } =:T3 (88) We discuss the terms T1 , T2 and T3 separately. For the stabilization terms in T1 , weapply binomial identities of type (a − b)a = 1 2 2 2 and telescope sums, resulting in 2 a − b + (a − b) 1 T1 = 2 " M X M 2 m 2 ds βs − ((ds ))βs + k−1 2 dk s − ds βs # k=m+1 ∆t + 2 " ∆t + 2 " M X M 2 m 2 df β − ((df ))βf + k−1 2 dk f − df β f # f k=m+1 dM p 2 βp − dm p 2 βp M X + dk p − dk−1 p # 2 βp . k=m+1 (89) For the coupling term T2 we apply summation by parts, leading to M m T2 = dM − dm p , div (1 − φ0 )ds p , div ((1 − φ0 )ds ) − M X k−1 dk , div (1 − φ0 )dk−1 p − dp s . (90) k=m+1 For the coupling term T3 , simple expansion and reformulation, aiming at constructing quadratic terms present on the left hand side of (88), and gathering those, respectively, results in T3 = −∆t (1−φ0 )2 κs h i k−1 k k−1 k k−1 βs (dk ), dk ), dk ), dk s − ds s + ∆t βf (df − df p f + ∆t βp (dp − dp k=m+1 = 2 M X k=m+1 dk f − k−1 dk s + ds 2∆t 1 1 2 kdm + s kφ0 2 k−1 − f 2∆t 4∆t M X k=m+1 2 − φ0 2 k−1 f 1 dM s 2∆t k−1 2 dk s − ds φ0 2 k−1 f 2 φ0 2 k−1 f (91) . 90 iterative schemes for poromechanics Inserting (89)–(91) into (88) and re-ordering terms, yields M X k=m+1 1 kdk k2 + ε(dk s) ∆t2 s ρs (1−φ0 ) +∆t ε(dk f) 2 φ0 2µf + dk p 2 CHooke 2 + kdk f kρf φ0 2 (1−φ0 )2 κs M 2 X 1 M 2 k−1 + ds + dk s − ds βs βs 2 k=m+1 M 2 X 2 ∆t k−1 dM + dk + f f − df βf βf 2 k=m+1 M 2 X 2 ∆t k−1 dM + dk + p p − dp βp βp 2 k=m+1 + ∆t M X dk f − k=m+1 k−1 dk s + ds 2∆t 2 φ0 2 k−1 f M X 2 1 1 k−1 dM dk + s s − ds φ0 2 k−1 2∆t 4∆t f k=m+1 M M − dp , div (1 − φ0 )ds {z } | + 2 φ0 2 k−1 f =:T4 M X m k k−1 k−1 ((1 ) = − dm , div − φ )d − d − d , div (1 − φ )d 0 0 p s p p s | {z } k=m+1 =:T5a | {z } =:T5b 1 ∆t ∆t 1 2 2 m 2 kdm ((dm + s kφ0 2 k−1 + ((ds ))βs + f ))βf + f 2∆t 2 2 2 dm p 2 βp . (92) In the next step, we discuss the coupling terms T4 , T5a and T5b . The coupling term T4 can be combined with terms on the left hand side of (92), generating only quadratic terms. For this, considering ? all terms of (92) involving dM s , revisiting (87c), tested with ys = 4.4 convergence analysis dM s , suitable expansion and reformulation, and ultimately discarding some positive terms, yields 2 1 2 M kdM s kρs (1−φ0 ) + ε(ds ) 2 CHooke ∆t 2 1 M 2 1 M ds ds − dM−1 + + − T4 s βs βs 2 2 + ∆t dM f − M−1 dM s + ds 2∆t 2 + φ0 2 k−1 f 1 dM s 2∆t 2 φ0 2 k−1 f 2 1 M−1 dM s − ds φ0 2 k−1 4∆t f M 2 d dM 1 s M−1 2 −1 M ds + ∆t φ0 kf , s df − = βs 2 ∆t ∆t + + ∆t dM f − M−1 dM s + ds 2∆t 2 + 2 φ0 k−1 f 2 1 M−1 dM s − ds φ0 2 k−1 4∆t f 1 1 M−1 2 M−1 ds + ds = βs 2 2∆t 1 dM s 2∆t 2 φ0 2 k−1 f + + ∆t dM f − > 2 dM−1 s 2∆t φ0 2 k−1 f + 2 φ0 2 k−1 f ∆t dM f 2 2 φ0 2 k−1 f 1 M−1 2 ds φ 2 k−1 . βs + 0 ∆tf 2 (93) In order to bound from above the coupling terms T5a and T5b , we employ the definitions of Kdr,φ0 ,min and CKorn,1 in addition to the product rule, the Cauchy-Schwarz inequality and Young’s inequality. Both coupling terms will be treated similarly. For any γ1 > 0, we obtain for T5a m m m T5a = dm p , ∇ φ0 · ds − dp , (1 − φ0 ) div ds 1 kε(dm C1/2 + 6 dm p s )kCHooke Korn,1 1/2 Kdr,φ0 ,min 2 1/2 CKorn,1 + 1/21 Kdr,φ ,min γ1 2 2 0 kε(dm 6 dm . (94) s )kCHooke + p 2 2γ1 Similarly for T5b , we obtain for any γ2 > 0 T5b M−1 γ2 X 2 6 ε(dk s ) CHooke 2 k=m 2 1/2 1 CKorn,1 + 1/2 Kdr,φ ,min 0 + 2γ2 M X k=m+1 k−1 dk p − dp 2 . (95) 91 92 iterative schemes for poromechanics Inserting (93)–(95) into (92), yields M−1 X k=m+1 γ2 1 k 2 kd k + 1 − s ρ (1−φ ) s 0 2 ∆t2 M X + 2 k kdk f kρf φ0 + ∆t ε(df ) k=m+1 + 1 M−1 2 1 ds φ 2 k−1 + βs + 0 ∆tf 2 2 M−1 X + ∆t dk f − k=m+1 k−1 dk s + ds 2∆t M−1 X 2 ε(dk s) CHooke k=m+1 2 φ0 2µf M−1 X + dk p 2 (1−φ0 )2 κs 2 k−1 dk s − ds βs + k=m+1 φ0 2 k−1 f 2∆t 2 φ0 2 k−1 f M 2 X ∆t M 2 k−1 df + + dk f − df βf βf 2 k=m+1 ∆t + 2 6 !2 1/2 CKorn,1 M 2 2 X M k−1 + − dp dk p − dp βp βp k=m+1 + 1 1/2 Kdr,φ 0 ,min γ2 ∆t γ + γ2 ∆t 1 2 2 2 ((dm kε(dm ((dm + 1 s )) s )kCHooke + f ))βf φ 2 k−1 2 2 2 βs + 0 ∆tf !2 1/2 ∆t + 2 m 2 dp β + p CKorn,1 + 1 1/2 Kdr,φ 0 ,min γ1 ∆t 2 dm . p (96) Finally, after choosing βs , βf and βp satisfying (85), and dropping several positive terms in (96), we obtain M−1 X k=m+1 + γ2 1 k 2 k kd + 1 − ε(dk s) ∆t2 s ρs (1−φ0 ) 2 M−1 X 2 kdk f kρf φ0 + ∆t 2 ε(dk f ) φ0 2µf + 2 CHooke κs k=m+1 6 2 dk p (1−φ0 )2 1 m 2 γ1 + γ2 2 kds k kε(dm + s )kCHooke φ0 2 k−1 f 2 2 βs + ∆t ∆t m 2 ∆t m 2 kdf kβf + + dp 2 2 1/2 C βp + 2 . 1 Korn,1 1/2 K dr,φ0 ,min γ1 ∆t + After all, relative stability in the sense of (83) can be deduced for any choice for γ1 > 0 and γ2 ∈ (0, 2), since m and M have been chosen arbitrary. By this the assertion follows. Remark (Incompressible media). We note that in contrast to the undrained split (66)–(67), the diagonally L2 -stabilized two-way split remains well de2 0) fined in the extreme case of incompressible media, i.e., (1−φ = 0. In κs theory convergence, is not guaranteed anymore, yet still it may be possible, whereas the conditioning of the undrained split would degenerate. dk p − dk−1 p 2 4.5 numerical tests 93 We close this section with suggesting a practical choice of stabilization parameters guided by the previous convergence analysis. We emphasize that one could optimize the effective stability constant in (86) with respect to γ1 , γ2 , βs , βf , βp ; however, theoretical optimality does not necessarily result in practical optimality, cf. [173] for an applicable discussion. Instead, a simple but possibly theoretically not optimal choice is proposed. Remark (A practical set of stabilization parameters). First of all, we choose the moderate values γ1 = γ2 = 1 in oder to balance similar terms on both sides of (86). We note that CKorn,1 can be safely approximated by some multiple of K−1 dr,φ0 ,min ; if the porosity is constant, it is CKorn,1 = 0. For 2 (1−φ0 ) simplicity, assume φ0 is constant, then it is K−1 , where Kdr dr,φ0 ,min = Kdr = Kdr,0,min denotes the standard bulk modulus. Finally, we follow the suggestion of the stability property and choose the stabilization parameters as small as possible. This results in the set φ0 2 k−1 f βs = − , 2∆t βf = 0, βp = (1 − φ0 )2 , Kdr ∆t which in particular means destabilization of the momentum equation of the solid. However, we also highlight that merely utilizing pressure stabilization and setting βs = βf = 0 does also result in guaranteed convergence, in the style of the fixed-stress split for the quasi-static Biot equations. 4.5 numerical tests The aim of this section is to perform a paramater study for various choices of stabilization values based on the above analyses, in addition with to ad-hoc choices motivated by the analyses or experience of the classical Biot equations. For this aim, we use two classic benchmark problems, the swelling and footing problems. In addition, we consider a perfusion-like problem to use as reference for our applications of interest. We note that each problem is loaded on a different equation: The swelling on the fluid, the footing on the solid and the perfusion on the mass balance. the swelling test. This test consists in a 2D slab in absence of volume forces. The fluid phase is subject to an inflow φ0 (2µf ε(vf ) − pI) n = −pext n, pext (t) = 103 (1 − exp(4t2 )) on the left and null pressure on the right, whereas above and below it uses a no-slip boundary condition vf = 0. The boundary conditions for the solid are sliding on the bottom and left sides, whereas the rest of the boundary is of null traction type (see Figure 10). The parameters used are given by: ρf = ρs = 1000, µf = 0.035, λs = 711, µs = 4066, κs = 103 , kf = 10−7 I, φ0 = 0.1, all in SI units with Ω = (0, L)2 , L = 10−2 discretized using 10 elements per side. The finite element spaces used are: second order 94 iterative schemes for poromechanics (a) Boundary conditions. (b) Solution. Figure 10: Swelling test at time t = 1s. (a) Boundary conditions. (b) Solution. Figure 11: Footing test at time t = 0.5s. Lagrangian elements for the solid and Taylor-Hood elements for the fluid-pressure system, which satisfy the weighted inf-sup condition from Theorem 9. Finally, a tolerance of 10−8 was used with respect to the `∞ norm of the residual. the footing test. This test also consists in a 2D slab in absence of volume forces where half of the boundary on top Γfoot = (0.25, 0.75) × {1} is subject to an increasing load. More precisely, the fluid phase is subject to an to a no-slip condition on Γfoot and null pressure in ∂Ω \ Γfoot . The boundary conditions for the solid are given by an increasing load t(x, t) = (0, −105 t) on Γfoot , homogeneous Dirichlet conditions on the bottom ys = 0 and null Neumann conditions everywhere else (see Figure 11). The parameters used are given by: ρf = 1000, ρs = 500, µf = 10−3 , E = 3 · 104 , ν = 0.2, λs = Eν/((1 + ν) ∗ (1 − 2ν)), µs = E/(2(1 + ν)), κs = 106 , kf = 10−7 I, φ0 = 10−3 , all in SI units with Ω = (0, L)2 , L = 64 discretized using 10 elements per side, with one simple refinement performed near the footing boundary. The finite element spaces used are: second order Lagrangian elements for the solid and Taylor-Hood elements for the fluid-pressure system, which satisfy the weighted inf-sup condition from Theorem 9. Finally, a tolerance of 10−6 was used with respect to the `∞ norm of the residual. 4.5 numerical tests (a) Boundary conditions. (b) Solution. Figure 12: Perfusion test at time t = 1s. the perfusion test. This test also consists in a 2D slab. Both fluid and solid phases present homogeneous Dirichlet boundary conditions on the left and homogeneous Neumann conditions elsewhere (see Figure 12). We set the scalar source term θ = 500, and the problem parameters are given p by: ρf = 1000, ρs = 1000, µf = 0.03, E = 3 · 4 4 10 , λs = 5 · 10 , R = E2 + 9λ2s + 2Eλs , µs = 0.25 (E − 3λs + R), κs = 106 , kf = 10−9 I, φ0 = 0.05, all2 in SI units with Ω = (0, L)2 , L = 0.01 discretized using 10 elements per side. The finite element spaces used are: second order Lagrangian elements for the solid and Taylor-Hood elements for the fluid-pressure system, which satisfy the weighted inf-sup condition from Theorem 9. Finally, a tolerance of 10−8 was used with respect to the `∞ norm of the residual. 4.5.1 Anderson acceleration One key aspect of all the proposed schemes is that they can be interpreted as fixed point iterations. Although they present in general lower convergence rates than Newton methods, they have acquired higher interest recently due to the development of acceleration schemes. In particular we focus on Anderson acceleration, which can be interpreted as a multisecant scheme, or as a preconditioned GMRES method [189]. In general, consider a vector-valued function g : RN → RN and the sequence xk+1 = g(xk ). By defining fk = g(xk ) − xk , Anderson acceleration of order m is given as follows: For iteration k, set mk = min{m, k} and Fk = k (fk−mk , ..., fk ). Compute αk = (αk 0 , ..., αmk ) that minimizes min α=(α0 ,...,αmk ) s.t. kF αk2 mk X (97) αi = 1 i=0 2 Mechanical parameters obtained from [169], remaining ones from [128]. 95 96 iterative schemes for poromechanics iters µ=1 µ = 10 µ = 100 None 9 25 – m=1 7 10 24 m=2 5 9 18 m=5 6 9 16 Table 3: Iteration count for Bratu’s problem solved with a fixed point algorithm together with Anderson acceleration. and then compute the next element as xk+1 = mk X αk i g(xk−mk +i ). i=0 The order m of the scheme is usually referred to as depth, due to the use of m previous iterations. We implement this method by recasting (97) as an unconstrained least-squares problem, and then invert its optimality conditions using the QR factorization to avoid the possible ill-conditioning of the normal equations [167]. To give an idea of the impact this technique can have, we consider as in [189] the Bratu benchmark problem: Find u in H10 (Ω) such that −∆u = λeu u=0 in Ω, (98) on ∂Ω, where Ω is the unit square. We solve problem (98) by iteratively solving the following problem: Given uk in H10 (Ω), find uk+1 in H10 (Ω) such that −∆uk+1 = λeuk uk+1 = 0 on in Ω, ∂Ω. (99) Setting u0 = 0 and a tolerance of 10−10 for the `2 norm of the residual vector uk+1 − uk , we obtain the results shown in Table 3. As expected, increasing the depth of the acceleration reduces the iteration count, but there are two interesting phenomena. The first is that such a relation is not linear, meaning that using too many levels for acceleration can actually deteriorate convergence. The second one is that it can alleviate divergence, as seen from the case µ = 100, which does not converge without acceleration. 4.5.2 Undrained split sensitivity analysis In this section, we study the robustness of the undrained scheme with respect to the parameters N, kf and highly oscillatory porosities φ0 . For this aim we use the swelling test, with the given parameters. For each parameter we present the number of iterations and the average 4.5 numerical tests κs 103 # iters. kf # iters. C # iters. 9 10−10 20.27 1 21.91 104 20.55 10−11 49.1 2 22.27 105 84.82 10−12 99.63 3 25.45 – 10−13 – 4 54 106 (a) Bulk modulus. (b) Permeability. (c) Porosity φ0 = Πi sin(Cxi /L). Table 4: Undrained split sensitivity analysis: Average iteration count for varying (a) Bulk modulus (b) Permeability and (c) Porosity. Nonconvergence denoted with –. convergence rate, computed as the mean of the convergence rates between the ones obtained from the second half of the simulation. This last choice is performed because usually initial timesteps do not present a fully developed swelling regime and thus converge fast, which does not allow for the computation of the empirical convergence rates in all cases. The scheme presents deterioration in convergence in accordance to Theorem 11 with respect to all considered parameters as shown in Table 4, where we allowed for a maximum of 100 iterations. We note that this method is particularly sensitive to the bulk modulus κs , and also small permeabilities render the problem much more difficult. Instead, the dependence on oscillating porosities is mild. 4.5.3 Parameter study for diagonal split In this section, we study the sensitivity of the diagonal split with respect to different combinations of parameters in both inf-sup stable and unstable scenarios. More specifically, the analysis shown in Section 4.4.2 yields the novel fact that the solid can be destabilized, so we compare this destabilization with classic combinations of parameters. We present only stabilization parameters dictated by the analysis based on the swelling test, and set the varying parameters as • κs ∈ {10k }12 k=2 , • kf ∈ {10−k }12 k=2 , • ρs = ρf ∈ {10k }7k=2 . We note that our analysis is independent of approximation spaces. In order to investigate potential effects of stability of the function spaces onto the stability of the splitting, we consider the variations • Solid P1 , fluid P1 and pressure P1 , • Solid P1 , fluid P2 and pressure P1 . 97 98 iterative schemes for poromechanics We do not consider the fully stable case where the solid is also approximated with second order elements, as it is not of practical relevance. We solve the coupled problem using different solvers based on the two-way split (68)–(69) for stabilizations of the type φ0 2 k−1 f , ∆t βf = β̂f φ0 2 k−1 f , βs = β̂s 2 (1 − φ0 ) , βp = βˆp ∆t Kdr with tuning parameters β̂s , β̂f , βˆp . We consider in particular the sets listed in Table 5. ID β̂s β̂f βˆp FS0,0,0 0 0 0 Unstabilized split FS0,0,1 0 0 1 Classic fixed-stress scheme. FS−0.5,0,1 − 12 0 1 FS with destabilized ys . FS−1,0,1 −1 0 1 Full destabilization of ys . Description Table 5: Considered stabilizations in the context of diagonally stabilized splits. As in previous tests, performance is measured in terms of the average number of iterations throughout the entire simulation, with nonconvergence established whenever a solver requires more than 200 iterations. 4.5.3.1 Unstable discretization We consider the inf-sup unstable family P1 − P1 − P1 . dependence on solid bulk. In Table 6, the iteration counts for varying κs are displayed. We observe that FS0,0,0 converges as long as the coupling strength regarding the ys -p coupling is weak. All p stabilized schemes are robust with respect to variations in κs ; in particular no inf-sup stability is required. Also, destabilizing the ys equation while keeping full p stabilization does not make big difference in this scenario. dependence on permeability. In Table 7, the iterations counts for varying kf are displayed. Here, a maximal count of 500 iteration is used to obtain a clearer presentation. We observe that lower permeabilities, render the problem more difficult for the diagonal split. Two possible explanations for this are that (i) decreasing the permeability leads to ill-conditioning of the ys -vf blocks and (ii) for lower permeability the ellipticity of the ys -vf block looses its dominance. In 4.5 numerical tests κs FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 102 3.9 3.8 3.0 3.0 103 5.9 4.0 4.0 4.0 104 7.6 4.0 3.9 4.0 105 7.7 4.0 3.9 4.0 106 – 4.0 3.9 4.0 107 – 4.0 3.9 4.0 108 – 4.0 3.9 4.0 1012 – 4.0 3.9 4.0 Table 6: P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying κs in the swelling test. Non-convergence denoted by –. such case, a Cahouet-Chabard type split as proposed in Section 4.3.2 may add significant stabilization. Also, destabilizing the solid equation does not yield better results than a simple p stabilization. In fact, the simpler p stabilization gives the best result for low permeabilities, not necessarily for larger permeabilities. kf FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 10−2 – 2.0 2.0 2.0 10−4 – 2.0 2.0 2.0 10−6 – 3.0 3.0 3.0 10−7 – 4.0 3.9 4.0 10−8 – 12.5 13.2 14.1 10−9 – 118.7 126.2 140.3 10−10 – – – – 10−11 – – – – 10−12 – – – – Table 7: P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying kf in the swelling test. Non-convergence denoted by –. dependence on densities. In Table 8, the iterations counts for varying ρs = ρf are displayed. We observe that the larger the denisties, the harder the problem becomes to solve. Destabilizing the solid equation does not yield better results. dependence on bulk drain modulus. In Table 9, the iterations counts for varying Kdr (with same Poisson ratio) are displayed. We observe that a lower Kdr yields a more difficult problem. It is par- 99 100 iterative schemes for poromechanics ρs = ρf FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 102 – 4.0 3.9 4.0 103 – 4.0 3.9 4.0 104 – 4.0 3.9 4.0 105 – 4.0 3.9 4.0 106 – 4.0 4.0 4.0 107 – 6.4 6.8 7.5 108 – 18.4 18.7 19.4 Table 8: P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for a varying ρs = ρf in the swelling test. Nonconvergence denoted by –. ticularly interestig that the full destabilization of the solid yields best results in this case. Kdr FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 47.77 – – – – 477.7 – 77.5 50.9 26.9 4777 – 18.5 14.5 11.5 47770 – 7.6 6.6 6.6 477700 7.4 4.0 3.9 4.0 4777000 3.3 2.9 2.9 3.0 Table 9: P1 − P1 − P1 elements: Average iteration count of the fixedstress based solvers for a varying Kdr in the swelling test. Nonconvergence denoted by –. acceleration in a demanding scenario. In practice, Anderson acceleration yields more robust schemes, in the sense that the choice of the optimal set of stabilization parameters is less critical. For the default parameter case, we compare the performance of accelerated splits, see Table 10. We consider the default parameter set except fir kf = 10−9 , κs = 108 , which render the problem more difficult. In Table 10, the iterations counts for different accelerations are displayed. We observe that in addition to improving convergence, Anderson acceleration allows the unstabilized split to converge. In particular, note that acceleration with solid destabilization yields a large reduction in the iteration count. 4.5 numerical tests FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 None – 118.7 126.2 140.3 AA(1) – 76.8 43.9 54.6 AA(3) – 39.2 36.5 45.0 AA(5) 35.1 36.3 32.8 37.3 Table 10: P1 − P1 − P1 elements: Average iteration count of the fixed-stress based solvers for different accelerations in the swelling test. Nonconvergence denoted by –. 4.5.3.2 Partially inf-sup stable discretization We consider a P1 − P2 − P1 discretization which is inf-sup stable for the vf -p coupling. We consider only parameter studies regarding κs and kf . dependence on solid bulk: In Table 11, the iteration counts for varying κs are displayed. We observe that the only difference with respect to the unstable case is that FS0,0,0 converges. κs FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 102 3.9 3.4 3.0 3.0 103 5.8 4.0 3.9 4.0 104 7.0 4.0 3.9 4.0 105 7.5 4.0 3.9 4.0 106 7.6 4.0 3.9 4.0 107 7.6 4.0 3.9 4.0 108 7.6 4.0 3.9 4.0 1012 7.6 4.0 3.9 4.0 Table 11: P1 − P2 − P1 elements: Average iteration count of the fixedstress based solvers for a varying κs in the swelling test. Nonconvergence denoted by –. dependence on permeability. In Table 12, we display the iterations counts for varying kf . Here, a maximal count of 500 iteration is used for better demonstration of the dependence on the permeability. We observe that again lower permeabilities yield a more difficult problem. Comparing the results for the P1 − P2 − P1 and P1 − P2 − P1 discretizations, we note that inf-sup stability in the fluid allows for a significant improvement on the performance. Also, in contrast to the unstable case, destabilizing the ys equations greatly improves performance. 101 102 iterative schemes for poromechanics kf FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 10−2 2.0 2.0 2.0 2.0 10−4 2.0 2.0 2.0 2.0 10−6 3.6 2.9 3.0 3.0 10−7 7.6 4.0 3.9 4.0 10−8 – 7.6 6.6 6.7 10−9 – 18.5 14.5 11.5 10−10 – 78.7 51.0 26.6 10−11 – 366.6 222.2 – 10−12 – – – – Table 12: P1 − P2 − P1 elements: Average iteration count of the fixedstress based solvers for a varying kf in the swelling test. Nonconvergence denoted by – (more than 500 iterations in this case). acceleration in a demanding scenario. As before, we consider Anderson acceleration for demanding cases where kf = 10−9 , κs = 108 . In Table 13, the iterations counts for different accelerations are displayed. We observe similar behavior to the unstable case, where most prominently acceleration reduces the significance of parameter tuning. FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 None – 18.5 14.5 11.5 AA(1) – 12.9 11.2 11.2 AA(3) – 11.3 9.8 9.2 AA(5) 25.6 10.4 9.0 8.2 Table 13: P1 − P2 − P1 elements: Average iteration count of the fixed-stress based solvers for different accelerations in the swelling test for kf = 10−9 . Non-convergence denoted by –. dependence on bulk drain modulus. We investigate in what sense the ratio between the elasticity and the permeability does affect the performance of the splittings. For this, we start off with a lower permeability kf = 1e − 9 and then increase Kdr . In Table 14, the iterations counts for varying Kdr (with same Poisson ratio) are displayed. We observe that low bulk drain is associated to higher iteration counts. This is an interesting fact, as it implies that the reaction term in the mechanics is not adequately treated, and it could be alleviated with a Cahouet-Chabard-type splitting as shown for the fluid case as in Section 4.3.2. Note that this behavior is in accordance to the dependence of the theoretical stability constant on it. 4.5 numerical tests Kdr FS0,0,0 FS0,0,1 FS−0.5,0,1 FS−1,0,1 47.77 - 139.8 147.0 - 477.7 - 15.9 16.5 17.7 4777 - 4.0 3.9 4.0 47770 - 3.0 3.0 3.0 477700 2.3 2.0 2.0 2.0 Table 14: P1 − P2 − P1 elements: Average iteration count of the fixedstress based solvers for a varying Kdr in the swelling test. Nonconvergence denoted by –. 4.5.3.3 Comparison with 3-way splits We include a similar study for corresponding 3-way split. Here, we consider solely the P1 − P2 − P1 discretization with parameter studies for varying κs and kf . Furthermore, since the 3-way split includes mixing, we do not tune the mixing parameters by hand, but employ fixed mixing with α1 = α2 = 1 and apply Anderson acceleration with depth 5. This also mimics the more practical scenario in which the 3-way split is used as a preconditioner, as Anderson acceleration is equivalent to a preconditioned GMRES. Thereby, a direct comparison with the above study is more difficult; it is obvious the 3-way splits are inferior to their 2-way versions, specially since the coupling of the vf -p block is very strong. Here, we consider only a short list of different stabilization parameters β̂s , β̂f , βˆp based on the previous studies. dependence on solid bulk. We display the iteration counts in Table 15. Note that the iteration counts are stable and yield more or less the same results independent of the exact choice of stabilization parameters. This requires, in comparison to the accelerated two-way split, around 6 times as many iterations. However, the purpose of the 3-way split should be rather seen as a good basis for a preconditioner. dependence on permeability. In Table 16, the iterations counts for varying kf are displayed. Here, a maximal count of 500 iteration is used for better demonstration of the dependence on the permeability. We observe that performance quickly deteriorates for low permeabilities. Comparing the iteration counts with the 2-way split, the ratio is moderately stable between 7 and 10 with kf ∈ {10−9 , 10−10 }. This also explains why for even lower permeabilities, the scheme seems to not converge, or here actually converge merely very slowly. Two slowingdown effects are included which are due to decreased permeability values. In this regime it could be interesting to investigate tailored splits. 103 104 iterative schemes for poromechanics κs FS0,0,1 FS−0.5,0,1 FS−0.5,0,0.5 FS−1,0,1 102 22.1 22.2 22.8 24.3 103 23.3 24.4 25.0 25.0 104 23.9 23.9 24.0 24.3 105 23.2 23.3 24.9 23.7 106 23.2 23.2 24.7 23.7 107 23.2 23.2 24.7 23.7 108 23.2 23.2 24.7 23.7 1012 23.2 23.2 24.7 23.7 Table 15: 3 way version of diagonal split with P1 − P2 − P1 elements: Average iteration count for varying κs in the swelling test. Nonconvergence denoted by –. kf FS0,0,1 FS−0.5,0,1 FS−0.5,0,0.5 FS−1,0,1 10−2 15.7 15.8 15.8 16.1 10−4 16.3 16.3 16.3 16.6 10−6 17.4 17.8 18.0 18.2 10−7 23.2 23.2 24.7 23.7 10−8 42.0 43.8 50.0 41.9 10−9 73.0 75.6 78.0 81.3 10−10 200.1 192.2 230.8 205.9 10−11 – – – – 10−12 – – – – Table 16: Three way version of diagonal stabilized split with P1 − P2 − P1 elements: Average iteration count for varying kf in the swelling test. Non-convergence denoted by – after 500 iterations. 4.5.4 Schemes comparison In this section we compare the proposed approaches, i.e. undrained, diagonally stabilized and three-way, in all three proposed tests, where we vary: The polynomial degree of approximation of the displacement, the bulk modulus and the depth of acceleration. swelling test. We show results in Table 17. We note that the infsup stability of the displacement plays no role, and the fixed-stress splitting scheme proved very robust in all the tested scenarios. footing test. We present results in Table 18. We note that in this test the undrained scheme exhibited lower iteration counts. Its success can be explained by the lower bulk modulus used, and instead 4.5 numerical tests avg iters. None AA(1) AA(5) Undrained 46.8 25.7 14.5 Diagonal 4.9 3.7 3.6 3-way 200 108.8 33 (a) Solid P1 , ks = 104 . avg iters. None AA(1) AA(5) Undrained 47.5 26.2 13.8 Diagonal 4.7 3.6 3.5 3-way 200 108.6 33.3 (b) Solid P2 , ks = 104 . avg iters. None AA(1) AA(5) Undrained – – – Diagonal 4.9 3.7 3.6 3-way 200 111.6 34.3 (c) Solid P1 , ks = 108 . avg iters. None AA(1) AA(5) Undrained – – – Diagonal 4.7 3.7 3.6 3-way 200 111.6 34.3 (d) Solid P2 , ks = 108 . Table 17: Iteration count for all tested scenarios in the swelling test. 105 106 iterative schemes for poromechanics avg iters. None AA(1) AA(5) Undrained 19.84 9.26 7.4 Diagonal – 134.44 17.64 3-way 200 198 68.6 (a) Solid P1 . avg iters. None AA(1) AA(5) Undrained 73.44 25.4 16.9 Diagonal – 153.46 31.42 3-way 200 195.5 126.4 (b) Solid P2 . Table 18: Iteration count for all tested scenarios in the footing test. avg iters. None AA(1) AA(5) Undrained – 111.64 51.45 Diagonal 18.36 10.27 9 3-way 200 182.455 106 (a) Solid P1 . avg iters. None AA(1) AA(5) Undrained – 134.36 50.18 Diagonal 14.64 9.36 8.09 3-way 200 195.545 103.182 (b) Solid P2 . Table 19: Iteration count for all tested scenarios in the perfusion test. the initial failure of the fixed-stress scheme is due to the permeability, which is very low. perfusion test. We present the results obtained in Table 19. The behavior of this test is similar to the swelling one, with the fixed stress showing a marked robustness. The undrained scheme instead presents difficulties in attaining convergence without acceleration. 4.5.5 Comparison of splitting versus monolithic approaches In this section we present a comparison, in terms of computational time, between the proposed splitting schemes and a monolithic approach. We consider the swelling test and we choose the L2 S−0.5,0,1 (labelled L2 S) as it yields the best performance for this problem. The default stopping criterion for GMRES iterations is adopted for the monolithic scheme, with a relative tolerance equal to 10−8 . For the 4.6 iterative schemes for cardiac poromechanics 107 splitting scheme, the convergence tests for the linear system solved at each iteration is slightly relaxed, up to 10−6 , but the (relative) tolerance of the stopping criterion for the iterative splitting scheme is also set to 10−8 , on the `∞ norm of the residual. We compare the computational cost, measured by the average wall time per time step, calculated on a sequence of five consecutive time steps. Both formulations are solved using P1/P2/P1 finite elements, and the number of degrees of freedom is controlled by the number of nodes on each side of the domain. The results of the comparison are reported in Table 20. The iterative schemes exhibit a better scaling with respect to the number of degrees of freedom. In particular, for problems with over 105 degrees of freedom (given by using 100 or more elements per side on the square domain) the wall time of the split scheme is consistently lower than of the monolithic approach. Also, the ratio between both solution times decreases monotonically with respect to the degrees of freedom as shown in the last column of the table, meaning that in this test case the superiority of iterative splitting schemes increases with the discrete problem size, which makes them a competitive solution strategy for addressing realistic scenarios, especially when considering tailored, possibly scalable preconditioners for the single subproblems. Nodes per side dofs L2 S [s] Monolithic [s] ratio (L2 S / Mono.) 50 28205 3.08 1.92 1.6042 100 111405 11.62 15.61 0.7444 150 249605 31.94 46.57 0.6858 200 442805 61.79 128.49 0.4809 250 691005 125.04 254.93 0.4905 300 994205 196.97 569.36 0.3459 Table 20: Wall time [s] of the different approaches for increasing number of degrees of freedom. 4.6 iterative schemes for cardiac poromechanics In this section we test the proposed methods on an intermediate model which considers a nonlinear mechanics response, already presented in (58). This work resembles the nonlinear splitting schemes proposed for a finite deformations Biot setting in [34], which is well adapted to our linearize-then-discretize-then-split strategy. We show the linearized equations and solve them with all of the previously developed schemes: undrained split, diagonal split and 3-way split; then we compare them to a monolithic Newton. For all of them, we con- 108 iterative schemes for poromechanics sider an initial iteration (ys 0 , v0f , p0 ), in practice set as the previous timestep solution, i.e. (ys 0 , v0f , p0 ) = (ys n−1 , vn−1 , pn−1 ). In what folf lows, superscripts refer to the iteration number unless the letter n is used. monolithic scheme. This is the classic monolithic formulation used to solve nonlinear problems. At each iteration it looks for (δys i , δvif , δpi ) given (ys i , vif , pi ) such that ρs (1 − φ) (100) δys i ∆t2 − div ∂ys P (F i ) : δys i + (1 − φ) ∇ δpi (101) δys i i δv − −φ2 k−1 = −Fs (ys i , vif , pi ), f f ∆t ρf φ i δvf − div φσvis (δvif ) + φ ∇ δpi (102) ∆t δys i i − +φ2 k−1 δv = −Ff (ys i , vif , pi ), f f ∆t (1 − φ)2 i (103) δp κs ∆t δys i + div φδvif + div (1 − φ) = −Fp (ys i , vif , pi ), ∆t (104) and then update variables through (ys i+1 , vi+1 , pi+1 ) = (ys i , vif , pi ) + f (δys i , δvif , δpi ). undrained split. This is a two-way split. As before, consider N = κs /(1 − φ0 )2 . Step 1. Given (vif , pi ) find δys i such that ρs (1 − φ) δys i − div ∂ys P (F i ) : δys i ∆t2 φ2 −1 k δys i = −Fs (ys i , vif , pi ), + ∇(N div δys i ) + ∆t f then update the displacement ys i+1 = ys i + δys i . Step 2. Find (δvif , δpi ) such that ρf φ i i i+1 i i δvf − div φσvis (δvif ) + φ ∇ δpi + φ2 k−1 , vf , p ), f δvf = −Ff (ys ∆t (1 − φ)2 i δp + div φδvif = −Fp (ys i+1 , vif , pi ), κs ∆t 4.6 iterative schemes for cardiac poromechanics 109 then update solutions as (vi+1 , pi+1 ) = (vif , pi ) + (δvif , δpi ). f diagonal split. This scheme is also a two-way split, for it we consider a given stabilization parameters βp and set βs = βf = 0, i.e. consider the classic fixed-stress split. Step 1. Given (vif , pi ) find δys i such that ρs (1 − φ) φ2 −1 i i i δy − div ∂ P (F ) : δy + k δys i = −Fs (ys i , vif , pi ), s ys s ∆t f ∆t2 (105) then update the displacement ys i+1 = ys i + δys i . Step 2. Find (δvif , δpi ) such that ρf φ i i i+1 i i δvf − div φσvis (δvif ) + φ ∇ δpi + φ2 k−1 , vf , p ), f δvf = −Ff (ys ∆t (1 − φ)2 i δp + βp δp + div φδvif = −Fp (ys i+1 , vif , pi ), κs ∆t then update solutions as (vi+1 , pi+1 ) = (vif , pi ) + (δvif , δpi ). f three-way split. This requires three stabilization terms βFS,1 , βFS,2 , βdiff . Step 1. Given (vif , pi ) find δys i such that ρs (1 − φ) φ2 −1 i i i δy kf δys i = −Fs (ys i , vif , pi ), − div ∂ P (F ) : δy + s y s s 2 ∆t ∆t then update the displacement ys i+1 = ys i + δys i . Step 2. Find δvif such that ρf φ i i i+1 i i δvf − div φσvis (δvif ) + φ ∇ δpi + φ2 k−1 , vf , p ), f δvf = −Ff (ys ∆t then update the fluid velocity as vi+1 = vif + δvif . f i i Step 3. Find δpFS and δpdiff such that (1 − φ)2 i δpFS + βFS,1 δpFS = −Fp (ys i+1 , vi+1 , pi ), f κs ∆t and (1 − φ)2 i δpdiff κs ∆t + βFS,2 δpdiff − βdiff div ∇ δpdiff = −Fp (ys i+1 , vi+1 , pi ), f then set an iteration increment by mixing both solutions as δpi = αδpiFS + (1 − α)δpidiff and then update the pressure as pi+1 = pi + 110 iterative schemes for poromechanics δpi . Note that we have not considered the separate coefficients βp and βCC,1 . This is justified by the lack of an analytic expression for the stabilization coefficients, and indeed, as they are computed numerically, this notation resembles better the implementation used. Remark. In practice, the value of α depends the dominant physics. Satisfactory results have been obtained for cardiac mechanics by using α = 0.9. Remark. The Robin boundary condition in the equation for δpidiff of the 3-way solver may give rise to different conditions on the pressure. Indeed, in the limit case M A, the solid equations in such case reads ρs (1 − φ) φ2 −1 2 −1 k k I+ dk k s − φ kf df + (1 − φ) ∇ dp = 0, ∆t2 ∆t f in Ω. The boundary terms coming from the gradient of dk p are then given by h(1 − φ) ∇ dk p , viΩ k = −hdk p , div((1 − φ)v)iΩ + hdp , (1 − φ)v · ni∂Ω k s = −hdk p , div((1 − φ)v)iΩ + hdp , (1 − φ)v · niΓD k + hdk p , (1 − φ)v · niΓRs + hdp , (1 − φ)v · niΓRm , where we have denoted the Robin boundary with ΓRs . This requires s s that dk p = 0 on ΓN ∪ ΓR . 4.6.0.1 Comparison with existing solver In this subsection we introduce the energetically consistent solver presented in [49]. It consists of a prediction step and then an implicit coupling step, in which fixed point iteration is performed. This resembles the classic Chorin-Temam solver [57, 181]. We have adapted it to our simplified model for the sake of comparison, where we consider the fluid with homogeneous boundary conditions for simplicity. Step 1. Find ṽf n such that * + ṽf n − vn−1 f , w + 2µf hφε(ṽf n ), ε(w)i = 0 ρf φ ∆t ∀w. k Step 2.a. Given ys k , find (vk f , p ) such that * + n vk f − ṽf ρf φ , w − pk , div(φw) ∆t ys k − ys n−1 2 −1 k + φ kf vf − , w = hρf φfn , wi ∆t ys k − ys n (1 − φ)2 k n k (p − p ), q + q, div vf − =0 ∀q. κs ∆t ∆t ∀w, 4.7 conclusions 111 k k Step 2.b. Given (vk f , p ), find ys such that ys k − 2ys n−1 + ys n−2 ρs (1 − φ) ,v ∆t2 +hP (F k ), ∇ vi − hhtrobin (ys k ), vii ys k − ys n−1 k k 2 −1 vf − −hp , div((1 − φ)v)i − φ kf , v = hρs (1 − φ)fn , i ∆t where we have included the Robin boundary condition as hhtrobin (ys k ), vii. Note that steps 2.a and 2.b are coupled by means of a fixed point iteration, which means that at each iteration of step 2 the mechanics need to be solved. Our proposed strategies both act at the linearized equations level, without the prediction step 1. This means that we perform only one Newton iteration of the mechanics at each step 2.b, which can be interpreted as a quasi-Newton method. 4.6.0.2 Numerical test Here we report the iteration count for the proposed problem (same as (58)) with each of the methods previously developed in Tables 21 and 22 for P1 and P2 elements for the solid respectively. Entries with – mean that the iteration count arrived at 100 for 10 consecutive timesteps, so we stopped those simulations. All simulations were performed for ad-hoc stabilization parameters, meaning that the L2 stabilization parameter is such that the number of iterations in the first 10 timesteps in minimum. First we note that, as expected, the use of a large bulk modulus, 108 , prevents the undrained scheme from arriving at convergence. Most notably, the fixed-stress scheme also suffers from non-convergence due to large bulk modulus, in contrast to the linear case. The difference is that the non-convergence of the fixed-stress can be alleviated by means of acceleration. In the accelerated cases, the iteration count is roughly four to five times that of the monolithic, which is then comparable to the performance in the linear case (where the reference iteration count is of course 1 for a monolithic solver). The three-way split is instead more robust, and presents the interesting feature of performing better with only one level of acceleration, which makes it already appealing from a more practical perspective. Then, it is also more robust and performs similarly to the fixed stress. 4.7 conclusions In this chapter we developed splitting schemes for the linearized poromechanics problem (7), given by the undrained split and the diagonally L2 -stabilized split with its 3-way variant. We tested them in an implicit Euler time discretization in several numerical tests, ∀v, 112 iterative schemes for poromechanics Solid P1 AA(0) AA(1) AA(5) Monolithic 1.8 1.9 1.9 Undrained – – – Fixed-stress – 7.2 6.6 CC 10.5 7.6 8.4 Table 21: Average iteration count in 0.3 seconds of simulation with the displacement approximated by first order elements. Solid P1 AA(0) AA(1) AA(5) Monolithic 1.6 1.6 1.6 Undrained – – – Fixed-stress – 9 7.3 CC 23.1 10.8 12.3 Table 22: Average iteration count in 0.3 seconds of simulation with the displacement approximated by second order elements. where we note that the choice of a splitting scheme strongly depends on the application of interest, due to the strong dependence that each scheme has on the parameters. The undrained scheme performs very well in compressible scenarios but quickly deteriorates as the bulk modulus increases. The diagonal split instead is very robust with respect to the bulk modulus, so it should be preferred in quasi-incompressible or incompressible regimes. Neither of them are capable of handling large densities or small permeabilities, and also none of them obtain any improvement from the inf-sup condition proved in Chapter 2. The diagonal split presents two interesting features. On one side, the 3-way split derived from it converges whenever the 2-way split does. Although the iterations number is are considerably higher, the 3-way splits are better suited as preconditioners, and not as solvers, so these results are indeed encouraging. On the other side, the analysis reveals the possibility of destabilizing the solid. Counterintuitive as it seems, this technique does yield improvements in convergence, which validates the result. The ability of a splitting scheme hinges on the assumptions used for the required stabilization. For instance, the undrained scheme requires the algebraic inversion of pressure, so it can be expected for it to deteriorate whenever this operation is not available ((1 − φ)/κs → ∞). The diagonal L2 split is more difficult for having a clear intuition, but for instance if we consider the approximate Schur framework from the three-way splitting scheme only for the pressure stabilization coefficient βp , we can see that it comes from considering a diffusion-dominant regime. Thus it can be expected for L2 stabi- 4.7 conclusions lized schemes to present difficulties converging whenever the reaction block is dominant, meaning small permeability or large densities. We have complemented the splitting schemes with Anderson acceleration, which is a general method to improve the convergence of fixed-point iterations. It does not only improve the convergence of all methods tested, but it also enables convergence in scenarios in which it previously would not converge. One additional feature of Anderson acceleration, and probably the one that really highlights its use in this framework, is that it reduces the relevance of the stabilization parameters. This is indeed one fundamental aspect, as the additional parameters are an important drawback of the presented methods. We concluded this chapter with some preliminary results for cardiac poroelasticity, which show very promising results. As analytic parameters are not available for the nonlinear elasticity case, we used the ones that minimized the iteration count in the first ten timesteps. This gives good results which are coherent with the ones obtained in the linear case, except for the iteration counts for the 3-way split. The use of adequate parameters yields a very small difference between the 2-way and 3-way splitting schemes, which suggest that in such scenarios the 3-way split could be used as a solver. This would present a big speedup in terms of computational times, as all the physics seen independently are elliptic problems. 113 N U M E R I C A L S O LV E R S F O R C A R D I A C P E R F U S I O N In this chapter we present a novel perfusion model which considers coronary circulation, its interaction with the beating heart and their coupling with systemic circulation. Most of the work in this chapter is being prepared for publication [13]. This model requires two ingredients: The first one is coronary arteries, and the second one is the myocardium. Also, cardiac perfusion is part of the circulatory system, so we consider our model to begin with the pressure in the aorta and to end in the myocardial veins. Aortic pressure can be measured through non-invasive techniques (see, for example, [126, 131]) or obtained as part of a circulation model which considers the left ventricle chamber [164], where the latter also holds for the pressure in the myocardium veins. Coronary arteries are divided into epicardial and intramural, the former surround the heart whereas the latter are inside the myocardium. A suitable model to describe epicardial coronary blood flow would be the Navier-Stokes equations, but the blood dynamics in these vessels are not too complex, as they present Reynolds numbers in the range of 25-500 [124], where the peaks are achieved in pathological conditions such as the presence of plaque. This motivates the use of simplified lumped models, which yield averaged information regarding flow and pressure. We present such models in Section 5.1, where we extend the lumped 0D models presented in [157] to form an arbitrary network of vessels which, in contrast to classic formulations, supports arbitrary combinations of Dirichlet and Neumann boundary conditions. With this feature, the model becomes more adequate for the development of flow in a network. This approach considers each vessel portion as an independent segment, with pressure and flow as averaged quantities in each segment. The coupling of the segments is done by means of mass conservation and pressure continuity. The intramural coronary vessels instead present a complex network structure, with diameters in the range of 10–100 µm and very different mechanical properties [4]. A mathematical model accounting for such small scales is not feasible, which motivates the use of a multi-compartment poromechanics model [60, 128], where vessels are grouped into a finite number of compartments with representative parameters (see Figure 13). We consider these compartments to be the arteries and capillaries only, as veins will be modeled differently, but note that the framework is general and allows for an arbitrary number of compartments. 115 5 116 numerical solvers for cardiac perfusion Figure 13: Representation of multi-compartment model from [60]. In nonlinear poromechanics, the constitutive modeling of the myocardium is largely open, where one fundamental component is the relationship between pressure and porosity. To the best of our knowledge, the only proposal of one such law based on real data has been done in [44], which is the basis of the constitutive models used more recently in [60]. With this in mind, we extend the thermodynamically consistent constitutive framework presented in [56] to the multicompartment scenario and study its mathematical properties, where one key feature of our model is that it allows for the use of the mentioned laws from [44]. We make use of numerical tests to acquire insight regarding the interactions between the different components of the proposed model, as well as discuss different numerical strategies for the poromechanics problem, in particular regarding the performance of monolithic and iterative approaches. In a fully coupled heart model considering the circulatory system, aortic pressure (the main driver of flow in our model) depends on deformation, so we propose decoupling the mechanics and circulation from the model, which results in a one-way coupling strategy. This allows for our model to be used as a post processing stage after an electromechanics simulation [162]. This chapter is structured as follows: In Section 5.1 we show the 0D coronary vessel model, in Section 5.2 we present the myocardium model and the novel constitutive model, in Section 5.3 we present the coupled perfusion model, in Section 5.4 we show the one-way coupling strategy and we show the numerical tests performed in Section 5.5. 5.1 mathematical modeling of the epicardial coronary vessels 5.1 mathematical modeling of the epicardial coronary vessels We present two models for the epicardial coronary vessels: (i) A very simple tube in which flow can be described by a Bernoulli law, which assumes steady and irrotational flow of an inviscid and incompressible fluid and (ii) the lumped 0D model from [157]. The latter is obtained from the Navier-Stokes equations by assuming a cylindrical geometry and a flow profile on a cylinder section, then the advection term can be neglected and the resulting system integrated in the entire domain. • Bernoulli’s principle: Fluid continuity and Bernoulli’s principle are given by the following equations: v1 S1 = v2 S2 , ρf 2 v + p + gz = constant, 2 where v is the velocity in a section of area S, p is its pressure, g is gravity acceleration and z the section height. From them, given two pressures p1 , p2 and the two corresponding areas S1 , S2 of the tube, the surface flow Q = vi Si is given by s 1 −1 1 2 − , (p1 − p2 ) Q= ρf S22 S21 where we neglect the difference in height, so z1 ≈ z2 . This relationship has the important drawback of neglecting the fluid viscosity, but it enables a simple way of studying and validating the model when a pressure difference can be established. In this case we compute from the Zygote coronary geometry (see Figure 3) its total inlet and outlet areas, given by 11.392 mm2 and 5.688 mm2 respectively. • Lumped 0D: This model, albeit simple, takes into account the vessel compliance, fluid inertia and viscous effects [74]. We characterize a single vessel segment with the following parameters: Length `, area A, wall thickness H, fluid density ρf , Young modulus of the vessel wall E, Poisson ratio of vessel wall ν and fluid viscosity µf . The resulting equations are given by L ∂Q + RQ + Pd − Pp = 0, ∂t ∂P C + Qd − Qp = 0, ∂t (106) 3/2 √ πHE where R = KAr2` , L = ρAf ` , C = A η ` and Kr = 8πµf , η = 1−ν 2 . The names R, L, C come from an analogy with these equations to 117 118 numerical solvers for cardiac perfusion an RLC circuit, and the subindices d, p stand for distal and proximal. In our context, the “boundary conditions” 1 are given by the inlet (proximal) and outlet (distal) pressures, which leaves the variables Q, V, Qd and Qp . It is common practice to approximate the averaged quantities with one of the extremes, for instance Q ≈ Qd , which would be inadequate for the scenario in which we impose both pressures. Other conditions can be of interest, in particular for the case of a network of lumped models, and no systematic approach exists for this kind of scenario. For this, we consider in each vessel segment two coefficients α and β in (0, 1) which allow to interpolate between the distal and proximal quantities: Q = αQd + (1 − α)Qp and P = βPd + (1 − β)Pp , which yields the following system: L d(αQd + (1 − α)Qp ) + R(αQd + (1 − α)Qp ) + Pd − Pp = 0, dt d(βPd + (1 − β)Pp ) C + Qd − Qp = 0. dt (107) This problem has four unknowns Qd , Qp , Pd , Pp , meaning that it requires two boundary conditions. Note that Dirichlet conditions are given by fixing Qd or Qp , whereas Neumann boundary conditions regard Pd and Pp , so that the proposed model can handle any combination of conditions. Remark. If L = C = 0, we obtain the well-known Poiseuille flow, and lose dependence on α and β. Remark. Experience has shown that these models, when used for coronary vessels, are extremely sensitive to C, which can generate unphysical behavior. For this reason, we consider C ≈ 0 in all applications in what follows. We nevertheless keep C the presentation, as the approach is general. network of 0d vessels. We now formalize the coupling between consecutive vessel segments. Consider a set of segments S, where we identify each segment with its distal and proximal nodes as s = {sd , sp }. The set of all nodes will be denoted with N, and for a given node n ∈ N we consider its inlet and outlet segments, ni and no respectively. Each segment can 1 The use of the expression “boundary condition” is widely used in this context. It is of course not a precise notion, as a 0D model has no boundary, but it describes the fact that the conditions required to close the model are given by inlet (proximal) and outlet (distal) quantities. 5.1 mathematical modeling of the epicardial coronary vessels b 0 a 1 2 c 3 Figure 14: Example network. be described by equation (106) so that the following holds for all s ∈ S: Ls d(αs Qsd + (1 − αs )Qsp ) s s − Pp = 0, + Rs (αs Qsd + (1 − αs )Qsp ) + Pd dt s + (1 − βs )P s ) d(βs Pd p Cs + Qsd − Qsp = 0. dt (108) For each node n ∈ N, the interface conditions are given by mass conservation X X Qid = Qjp i∈ni j∈no and continuity of pressures i j Pd = Pp ∀i ∈ ni , j ∈ no . We note that these equations form a closed system of equations. For this, we give the details only for a bifurcation network, the conclusion can be formally argued by induction [157]. Consider for example the network from Figure 14. In this case, S = {a, b, c} and N = {0, 1, 2, 3}. For each segment, we have two equations and four variables, so 12 variables and 6 equations. Then, there are three boundary nodes, which give 3 more equations. Finally, the bifurcation node gives 3 equations: 1 with the conservation of mass and 2 for the pressure continuity, which gives a total of 12 equations. We observe that this problem is a differential algebraic equation of index 1, where the index stands for the number of time derivations required in the algebraic equations to obtain time derivatives in all variables [52] (see [157] for further details). time discretization. We use the θ method, for which we set the parameter θ ∈ [0, 1] and discretize the time interval [0, T ] into NT equally spaced intervals such that 0 = t0 , t1 , ..., tNT = T with ti = t0 + i∆t, i ∈ {0, ..., NT }, for a given timestep ∆t > 0. We thus denote the approximation ηi ≈ η(ti ) for a generic quantity ηi −ηi−1 η, consider the discretization dη and use the θdt (ti ) ≈ ∆t i i−1 in equations (108) to obtain method η(ti ) ≈ θη + (1 − θ)η the system 119 120 numerical solvers for cardiac perfusion (Ls βs + ∆tRs βs θ)Qs,i+1 + (Ls (1 − βs ) + ∆tRs (1 − βs )θ)Qs,i+1 p d s,i+1 s,i+1 + ∆tθPd − ∆tθPp s s s s s,i = (Ls βs − ∆tRs βs (1 − θ))Qs,i d + (L (1 − β ) − ∆tR (1 − θ)(1 − β ))Qp s,i s,i − ∆t(1 − θ)Pd + ∆t(1 − θ)Pp ∀s ∈ S, (109a) − ∆tθQs,i+1 ∆tθQs,i+1 p d s,i+1 s,i+1 + Cs αs Pd + Cs (1 − αs )Pp s,i s,i = −∆t(1 − θ)Qd + ∆t(1 − θ)Qp s,i s,i + Cs αs Pd + Cs (1 − αs )Pp ∀s ∈ S, (109b) X Qs,i+1 = d X Qs,i+1 p ∀n ∈ N, s∈no s∈ni P?r,i+1 = P?q,i+1 ∀r, q ∈ ni ∪ no , r 6= q, ? ∈ {d, p}; n ∈ N. (109c) We have observed θ = 1 to yield a more robust scheme, so we keep this choice in what follows. 5.1.1 Numerical tests In this section we numerically study the network of lumped models (109). In particular, we focus on the conditioning of the resulting linear system, its initialization by means of finding a steady state which is compatible with the initial boundary conditions and its dependence on the parameters α and β. 5.1.1.1 Problem conditioning Problem (109) is heavily ill-conditioned [20], mainly due to its lack of a particular structure and the different scales of the problem parameters. In particular, the area of a coronary is small (A ≈ 10−6 ), which yields large resistance terms R = O(A−2 ) ≈ 10−12 . We devise a strategy for its numerical approximation, for which we consider again the simple network from Figure 14 and compute the condition number of the corresponding linear system (109) with NumPy [145]. One simple option to alleviate the 5.1 mathematical modeling of the epicardial coronary vessels Parameters Value ` 0.005 m A 2 · 10−6 m2 ρf 1060 kg/m3 µf 0.035 Pa · s H 10−4 m E 105 Pa C 0 ∆T 10−2 s Table 23: Parameters used for conditioning number test. bad scaling of the resistance terms is to consider a right diagonal preconditioner P which equals 1 in the rows corresponding to pressure degrees of freedom and R in flow degrees of freedom. We compute the condition number in the following scenarios: (i) reduced Navier-Stokes vs. Poiseuille (L = C = 0), (ii) with vs. without diagonal preconditioner P, (iii) SI units (m, kg, s, Pa) vs. scaled units (cm, g, s, kPa) and (iv) αs = βs = α ∈ {0, 0.5, 1} for all s. We show the parameters used for this test in Table 23, where the inlet pressure is pao and the oulet pressure is 9 kPa in all outlets. The results obtained are shown in Table 24. We note that the proposed preconditioner works well in all scenarios, and is indeed what we use in practice combined with a GMRES solver. The problem in general presents much better conditioning with the units (cm, g, s, kPa), and interestingly, mixing the variables through α = 0.5 considerably improved conditioning in the scaled case. The same conclusions hold for the Poiseuille model, meaning that the right preconditioner improves conditioning in the SI system, but the gain is modest compared to the one obtained by rescaling the problem. 5.1.1.2 Steady initial conditions The time-dependence of model (109) is what gives it the ability to incorporate inertia and compliance, but it means that it is sensitive to initial conditions. To obtain realistic initial conditions, we propose performing simulation with the initial boundary conditions fixed at t = t0 together with Aitken acceleration [3, 58] until a stationary solution is obtained. The use of Aitken acceleration is motivated by its ease of implementation, and it can be interpreted as an optimal relaxation for fixed point iterations. We briefly present what it consists in: Consider a fixed point scheme xi+1 = g(xi ), i ∈ N, then for each vector xi , set 121 122 numerical solvers for cardiac perfusion Scenario α=0 α = 0.5 α=1 No prec, SI 2.01 · 1018 1.29 · 1018 1.33 · 1018 Prec, SI 3.58 · 1012 3.34 · 1011 3.91 · 1011 No prec, scaled 3.64 · 107 7.15 · 105 4.45 · 107 Prec, scaled 8.27 · 106 1.63 · 105 1.01 · 107 (a) Reduced Navier-Stokes. Scenario – No prec, SI 1.32 · 1018 Prec, SI 3.37 · 109 No prec, scaled 26.18 Prec, scaled 13.92 (b) Poiseuille. Table 24: Conditioning number for the reduced Navier-Stokes models. xei = g(xi ) and the increment ¯i = xei − xi . The new iteration is given by xi+1 = xi + ωi µi , where the weight ωi is defined as ωi = − (¯i − ¯i−1 ) · (xi − xi−1 ) , k¯i − ¯i−1 k2 ∀i ∈ N. In fact, ωi is the minimizer of min kxi − xi−1 + ω(¯i − ¯i−1 )k2 . ω We tested the convergence to a stationary state in the simple bifurcation network considered in Figure 14 with the parameters from Table 23 by measuring the error as X error = errors , s where errors represent the relative residual in segment s, given by errors = αs Qsd + (1 − αs )Qsp + s −P s Pd p Rs + Qsd − Qsp αs Qsd + (1 − αs )Qsp . A tolerance of 10−12 yields the iteration counts shown in Table 25. We show in Figure 15 the evolution of flow in the first segment Q0 , where it can be appreciated that in fact the converged values at the steady state are the same. Note that convergence is almost immediate when using acceleration (≈ 20 iterations), whereas it can be very slow for non-accelerated scenarios (≈ 34000 iterations). 5.2 mathematical model for myocardial poromechanics # iterations αs = 0 αs = 0.5 αs = 1 No accel. 34575 34233 34351 Aitken 23 15 13 Table 25: Iteration required to achieve a stationary state with and without acceleration for different values of αs , equal in all segments. (a) No acceleration. (b) Aitken. Figure 15: Evolution of the flow in first segment during steady state iterations. 5.1.1.3 Dependence on α and β To conclude, it is natural to ask whether the choice of α impacts the model beyond the conditioning. For this, we simulated the network for 1000 heartbeats to see the difference in the stationary dynamic for the inlet pressure profile pao shown in Figure 27 and an outlet of 8 kPa. We show the results of flow, distal pressure and proximal pressure in Figures 16, 17 and 18 respectively. We note that there are no significant differences between the solutions, so we prefer α = 0.5 for the improved conditioning of the system. 5.2 mathematical model for myocardial poromechanics We present the multi-compartment variant of (6), with an additional term in the stress tensor which accounts for the deformation induced by activation. There are two approaches for this, the first one is to additively decompose the stress tensor into passive and active parts as P = Ppassive + Pactive , known as active stress [86]. The second one uses a multiplicative decomposition of the tensor F through an intermediate configuration as Fb = F Fa [141]. Also, the mass conservation equations hold for each of the NC compartment, and includes an additional interaction term in the form of a nonlinear reaction which accounts for fluid exchange between compartments. The resulting 123 124 numerical solvers for cardiac perfusion Segment # α=0 α = 0.5 α=1 0 1 2 3 Figure 16: Flow Q = αQd + (1 − α)Qp for stationary dynamic of conditioning test. Segment # α=0 α = 0.5 α=1 0 1 2 3 Figure 17: Distal pressure for stationary dynamic of conditioning test. 5.2 mathematical model for myocardial poromechanics Segment # α=0 α = 0.5 125 α=1 0 1 2 3 Figure 18: Proximal pressure for stationary dynamic of conditioning test. problem, using from now on an active stress approach, reads: Find ys and ϕ such that − div(P (F , ϕ) + Pa (F )) = 0 in Ω, (110a) dϕi − div (Ki (F ) ∇ pi (F , ϕ)) dt NC X + βij (pi (F , ϕ) − pj (F , ϕ)) = Jθi in Ω, ∀i ∈ {1, ..., NC }, j=1 (110b) where we denoted with ϕ = (ϕ1 , ..., ϕNC ) the vector of all reference porosities. This model is completed by the constitutive relations P = ∂Ψ (F , ϕ), ∂F pi = ∂Ψ (F , ϕ) ∂ϕi ∀i ∈ {1, ..., NC } and the boundary conditions on ∂Ω, (P + Pa ) n = g(ys ) Ki ∇ p i · n = 0 on ∂Ω, ∀i ∈ {1, ..., NC }. 126 numerical solvers for cardiac perfusion The active stress term is given by a fiber-oriented force modulated by a prescribed function γ as Pa (F , t) = γ(t) (F f0 ) ⊗ f0 , |F f0 | where f0 represents a fiber orientation and γ, possibly also space dependent, represents the activation of the cardiomyocites (heart muscle cells), driven by the heart’s electro-physiology. The fiber orientation f0 is usually computed through rule-based methods, where a Laplace problem with adequate boundary conditions is solved. The standard procedure for generating fibers in the left ventricle is the LDRB (Laplace-Dirichlet-Rule-Based) proposed in [16]. The activation function instead largely depends on the scope of the model. It is a well-known physiological fact that activation is driven by calcium concentration, whose modeling is considered in the electro-physiology models, such as the mono-domain and bi-domain equations [76] . These models study the propagation of the electric stimulus in the heart, and are thus able to reproduce pathological conditions, such as arrhythmia and tachycardia (for a review of the many available models, see [54]). Solution strategies for the coupling of these models with the mechanics has been studied in [67, 79]. These models are in general computationally expensive, and so if only the activation sequence is relevant, cheaper methods based on the Eikonal equation are available [83], which replace the mono-domain model. Problem (110) needs to be closed with suitable boundary conditions. The most accepted ones are a Robin condition which accounts for the friction with the pericardium [182], which can take the form (P + Pa ) · n + k⊥ f0 ⊗ f0 ys + 0.1k⊥ (I − f0 ⊗ f0 )ys = 0 on ∂Ω, (111) where k⊥ = 2 · 105 [150]. We note that there are more advanced models which include the solid velocity, but we do not include it as we use a quasi-static model. More details in [79]. We denote this condition with (P + Pa ) · n = g(ys ) on ∂Ω. (112) For ϕi we assume a no-slip condition, which is a Neumann condition given by Ki (F ) ∇ pi (F , ϕ) · n = 0 on∂Ω. This is indeed a no-slip condition. To see this, from (5) we obtain 0 = −ρf Ki (F ) ∇ pi (F , ϕ) = ρf Jφi F −1 (vf − vs ), which yields vf = vs as det F > 0. 5.2 mathematical model for myocardial poromechanics 5.2.1 Mathematical properties of the model The mathematical analysis of problem (4) is completely open, so we focus on the simplified problem (110), which is the coupling of two well-known problems: The nonlinear quasi-static mechanics (110a) and the porous media equation (110b), which pose well established requirements on the form of the Helmholtz potential Ψ. In this section, for simplicity, we ignore the Robin condition and consider a homogeneous Dirichlet boundary condition on ∂Ω, disregard the active stress, i.e. Pa = 0 and consider a mono-compartment system, i.e NC = 1. We first observe that problem (110a) comes from a minimization problem, so we can then rewrite the mechanics problem (110a) as: Given a function ϕ, find a minimizer ys of Z min Ψ(F , ϕ) dx in Ω. (113) ys Ω As shown in the seminal paper by J. Ball [11], this problem has at least one minimizer under mild coercivity conditions of the potential Ψ and the assumption that it is polyconvex, which means there exists a convex function Gϕ defined in Rd × Rd × R such that Ψ(F , ϕ) = Gϕ (F , cof F , det F ), (114) where cof F = det(F )F −T . On the other side, problem (110b) can be recast into one the the following type: ∂ϕ − div (∇ p(F , ϕ) = 0, ∂t where we assume θ = 0 for simplicity. To see this, we consider an auxiliary displacement y : Ω → Ωy and subsets ωX ⊂ Ω, ωy ⊂ Ωy . Then we transport the mass conservation law to Ωy , for which we use Nanson’s formula ny day = Jy Fy−T N dA [96] where Fy = ∇X y, Jy = det Fy : Z Z divX Kf ∇X p dX = Kf ∇X p · N dA ωX ∂ωX Z T = Kf FyT ∇y p · J−1 y Fy ny day ∂ωy Z = ωy −1 −T T divy J J−1 F F k F F ∇ p dy. y y f y y The tensor kf is symmetric positive-definite, so we consider its (unique) Cholesky factorization [180] kf = ΣΣ T and note that we can write −1 J J−1 kf F −T FyT y Fy F = q J/Jy Fy F −1 Σ q T J/Jy Fy F −1 Σ . 127 128 numerical solvers for cardiac perfusion We thus propose y such that Fy = cΣ −1 F , where c is a constant. To determine c, we impose J = Jy : cd J J = cd J det Σ −1 = , det Σ which implies c = (det Σ)1/d = (det kf )1/2d . Then, problem (110b) can be rewritten as 1 ∂ϕ − divy ∇y p = 0 J ∂t in Ωy , where the map y = cΣ−1 x is an orientation-preserving diffeomorphism, and so it preserves convexity [59]. It can be shown [184] that if for each F the function ϕ → p(F , ϕ) is monotonic increasing, then there exists a unique solution to problem (114) (albeit for a fixed domain). This is indeed the case whenever the function ϕ → Ψ(F , ϕ) is convex. Putting everything together, it follows that existence of solutions to problem (110) can be expected under at least the following conditions: (hm) The function F → Ψ(F , ϕ) is polyconvex for all ϕ. (hp) The function ϕ → Ψ(F , ϕ) is convex for all F . Remark. We ignore the additional growth conditions for F → Ψ(F , ϕ) as they yield no fundamental modeling implications. In any case, any rigurous mathematical analysis performed to the coupled problem should consider them. 5.2.2 Constitutive modeling As shown in Section 2.4, the Piola stress tensor P and the compartment pressures pi for i ∈ {1, ..., NC } are given by derivatives of a Helmholtz potential Ψ: ∂Ψ (F , ϕ), ∂F ∂Ψ pi (F , ϕ) = (F , ϕ). ∂ϕi P (F , ϕ) = (115) In cardiac modeling, the main approaches for constitutive modeling in nonlinear poromechanics developed so far have been the following: additive splitting with fluid porosity [60]. The idea of this approach is to decompose the energy into a skeleton part and a fluid part. This is achieved by considering one potential for the solid phase ψskel and one for each compartment ψi as ΨA (F , ϕ) = ψskel (F ) + NC X i=1 ψi (ϕi ). (116) 5.2 mathematical model for myocardial poromechanics This naturally decouples the physics, which can be seen from (115): ∂ψskel (F ), ∂F ∂ψi pi (F , ϕ) = (ϕi ). ∂ϕi P (F , ϕ) = (117) Of course, the main feature of poromechanics is the interaction between the fluid and solid phases, and so the authors circumvent the lack of it through the use of a Lagrange multiplier with respect to the constraint NC NC X X J = 1+ mi /ρf = 1 + (ϕi − ϕi,0 ). i=1 i=1 The modified energy then reads ΨA (F , ϕ) = ψskel (F ) + NC X ψi (ϕi ) − λ(J − 1 − i=1 NC X (ϕi − ϕi,0 )), i=1 which finally yields ∂ψskel (F ) − λJF −T , ∂F ∂ψi pi (F , ϕ) = (ϕi ) + λ. ∂ϕi P (F , ϕ) = This indeed allows for the recovery of the interaction between physics, but adds two difficulties: On one side, a constrained problem results in a saddle point problem, which are in general more difficult to approximate numerically, and on the other side we have no control of λ from the modeling point of view, so there is no way to precisely model the material pressure response due to deformation. In general, the functions ψi are such that limϕi →{0,∞} ψi (ϕi ) = ∞ which correctly captures the fact that φi > 0 for all i ∈ {1, ..., NC }, but there is P C no guarantee that N j=1 φj < 1. additive splitting with solid porosity [56]. This approach, based on [47], considers a decomposition of the energy into a skeleton part and a solid porosity part, which is the complement of the solid phase. It is written as ΨB (F , ϕ) = ψskel (F ) + ψs (Js ) (118) in a mono-compartment setting, where we recall that Js = J − ϕ = J(1 − φ) denotes the solid volume fraction. Its extension to the multicompartment case then reads again ΨB (F , ϕ) = ψskel (F ) + ψs (Js ), 129 130 numerical solvers for cardiac perfusion P P C where Js = J − j ϕj = J 1 − N j=1 φj . This formulation captures the feedback of the skeleton to the fluid and vice-versa: ∂ψskel ∂ψs (Js ) −T (F ) + JF , ∂F ∂Js ∂ψs pi (F , ϕ) = − (Js ), ∂Js P (F , ϕ) = (119) but also presents two drawbacks. The first one is that the pressure expression is the same for each compartment, and the second one is that the resulting problem is degenerate parabolic, with no control over the single compartment. To see the last point, consider only mass conservation (114) on each compartment, no compliance with K = I, no compartment interaction, i.e. βik = 0, and no source term θi = 0, thus we can recast the mass conservation in the i-th compartment as ∂ϕi ∂p + div ∇ Js = 0, ∂t ∂Js where we used ∇ p = ∂p ∂Js ∇ Js . We expand ∇ Js : Nc Nc X X ∇ Js = ∇ J − ϕj = ∇ J − ∇ ϕj , j=1 j=1 and rewrite the problem as 2 NC 2ψ X ∂ ψ ∂ ∂ϕi s s (∇ ϕj ) = − div ∇J . − div 2 ∂t ∂Js ∂J2s j=1 If we test each equation with a test function qi in H1 (Ω), we obtain the following 2 Nc 2 X ∂ϕi ∂ ψs ∂ ψi , qi + ∇ J, ∇ qi , (120) ∇ ϕj , ∇ qi = ∂t ∂J2s ∂J2s j for all ∀qi ∈ H1 (Ω), ∀i ∈ {1, ..., NC }. We focus on the differential operator, which under the hypothesis of a strictly convex potential ∂2 ψs > ψ0 > 0 gives control only on the total porosity: ∂J2 s ∂2 ψs ∂J2s Nc X i=1 ! ∇ ϕi , Nc X i=1 !! ∇ ϕi > ψ0 Nc X i=1 2 ∇ ϕi L2 (Ω0 ) for all ϕi ∈ H1 (Ω). We note that this approach, in constrast to the P previous one, guarantees j=1 φj < 1 but fails to enforce φi > 0 for all i ∈ {1, ..., NC }. In what follows we propose also another strategy, that overcomes the disadvantages of the previous one and seems to be the most adequate for multi-porosity systems: 5.2 mathematical model for myocardial poromechanics Figure 19: Representation of pressure interaction between compartments for the new combined constitutive law. new additive splitting with fluid and solid porosities. In light of the previous discussion, we propose a new decomposition which combines the previous approaches: Ψ(F , ’) = ψskel (F ) + ψs (Js ) + NC X ψi (ϕi ). i=1 This gives the relations ∂ψs (Js ) −T ∂ψskel (F ) + JF , ∂F ∂Js ∂ψi ∂ψs pi (F , ϕ) = (ϕi ) − (Js ), ∂ϕi ∂Js P (F , ϕ) = (121) from which we highlight the following aspects: P 1. The porous part ψs + i ψi acts as a double barrier which guarantees (strongly) that 0 < φi for all i ∈ {1, ..., NC } and PNC j=1 φj < 1. s (Js ) 2. The pressure-like term ∂ψ∂J JF −T appearing in the Piola stress s tensor is driven by the pressure in the solid portion of the tissue Js only. 3. The pressure which acts on the blood is the difference between the one in the compartment (lumen) and the one in the tissue (intramyocardial) as shown in Figure 19. It is known as transmural pressure and is correctly captured from the proposed potential: pi (F , ϕ) = ∂ψi (ϕi ) ∂ϕi | {z } luminar pressure − ∂ψs (Js ) ∂Js | {z } . intramyocardial pressure This law can still guarantee existence of solutions for each separate physics. Indeed, to satisfy hypotheses (HM) and (HP) we require the following: 131 132 numerical solvers for cardiac perfusion Arteries Capillaries c1 1.333 22 c2 550 1009 c3 45 10 Table 26: Parameters used for the proposed multi-compartment constitutive law. • The function ψS (F ) := ψskel (F , ϕ) + ψs (Js ) is polyconvex for all ϕ. • The functions ψM (ϕi ) := ψs (Js ) + ψi (ϕi ) are convex for all J > 0, i ∈ {1, ..., NC }. We note that these hypotheses are not too stringent on the model. In fact, the polyconvexity of ψS is immediate as long as ψs is convex (which holds in practice), and instead the convexity of ψM follows whenever both functions ψi , ψs are convex. Although less general, these conditions are easier to verify in practice. 5.2.3 Constitutive model for cardiac perfusion Functional relations between pressure and intramural vessel volume have already been proposed in [44] which were obtained by fitting (real) data. In the work cited, such laws were proposed for a threecompartment 0D model of the myocardium composed of arteries, capillaries and veins, which makes it a perfect candidate for our multicompartment framework. Such models, although devised to represent the transmural pressure, present no dependence on the solid volume fraction. For this we consider them instead as the fluid compartment energies ψi , and require only the additional modeling of the solid fraction term ψs . This results in the following relationships: ψi (ϕi ) = ci,1 exp(ci,3 ϕi ) + ci,2 log(ci,3 ϕi ). (122) Values used are presented in Table 26. Finally, we incorporate into the poromechanics model the prestress configuration [79, 98]. Its computation is motivated by the fact that blood pressure in the ventricle chamber is not in equilibrium with the myocardium, and thus such configuration is computed to obtain a reference configuration, which is different to the initial configuration, with an initial displacement which is in equilibrium. We consider such initial displacement given in end-diastolic configuration as in [79]. Leaving aside the blood flow induced by the enlargment of the myocardium during diastole, we expect the prestress configuration to be in equilibrium, i.e. to induce no flow per se. To this end, we rescale 5.2 mathematical model for myocardial poromechanics 133 the potential, where setting the initial variables as ys 0 , ϕ0 we impose that, for reference pressures pref, i , the following holds: pi (F0 , ϕ0 ) = pref, i , which results in a rescaled pressure p̃i : p̃i (F , ϕ) = pi (F , ϕ) − pi (F0 , ϕ0 ) + pref, i . numerical test 1: the squeeze. In this test we illustrate the capability of the model to induce flow only through deformation. For this, consider the same setting as in [49], which we detail in what follows: Consider the domain Ω = (0, L)2 , L = 10−2 , only one compartment NC = 1 and the potentials p p −1/2 3 ψskel (F ) = 2 · 103 (I1 I3 − 2) + 33 (I2 I−1 − 2) + 2 · 10 ( I − 1 − log I3 ), 3 3 ψi (ϕi ) = 0 ∀i ∈ {1, ..., NC }, 3 ψs (Js ) = 2 · 10 (Js /φs,0 − 1 − log(Js /φs,0 )), where I1 , I2 and I3 are the invariants of the Green strain tensor C = F T F , and boundary conditions are p(F , m) = 0 on ∂Ωleft , on ∂Ω \ ∂Ωleft , ∇p·n = 0 ys = 0 ( L sin(2πt), 0) 8 ys = 0 on ∂Ωleft , t61 on ∂Ωright , t>1 with all the missing boundary conditions on the solid understood as homogeneous Neumann conditions. This test presents a geometry with an imposed deformation so that it induces mass flow through the left boundary, as reported in Figure 20, where we see that during the stretching, mass enters the domain (positive average mass), instead during compression mass exits (negative average mass). After t = 1, mass goes back to zero as expected. We note that imposing pressure conditions in this formulation is not trivial. To implement a general pressure boundary condition on a subset Γp ⊂ ∂Ω, we require inverting the condition p(F , mi ) = pD on Γp . The resulting boundary condition is given by m(F , pi ) = m(pD ) on Γp , where the function m is understood as the inversion of the function p with respect to m, which depends on the pressure pi . We consider a fixed point iteration as in Appendix B such that the limit solution 134 numerical solvers for cardiac perfusion Figure 20: Test 1: Evolution of average added mass. satisfies the desired boundary condition. At each time step, given an initial point m0i , the k-th iteration is given by the solution mk i that satisfies the boundary condition mi (F k−1 , pi (F k−1 , mk−1 )) = m(pD ). i This sequence can present slow convergence, so we used Anderson acceleration as in Section 4.5.1 to obtain a more efficient scheme. Numerical test 2: Role of quasi-incompressibilities. We now study how the different energies which depend on the solid–i.e. the quasiincompressibility term from ψskel and ψs –behave with respect to the observed quasi-incompressibility. For this we consider the same geometry and potentials from Test 1, together with the following boundary conditions: p(F , m) = 10(1 − exp(−t2 /0.25)) on ∂Ωleft , ∇p·n = 0 on ∂ΩM \ ∂ΩM,left , ys x = 0 on ∂ΩM,left , ys y = 0 on ∂ΩM,bottom , with all other missing boundary conditions on the solid understood as homogeneous Neumann conditions. The results of the swelling tests are reported in Figures 21 and 22. Note that the dominant term regarding quasi-incompressibility is ψskel , i.e. the solid potential. In fact, as seen in Figure 21, the deformed area of the middle and high values of κp shows an increase of a 11% and 10% respectively, and the low value of κp = 102 does not reach balance during the simulation. Also note that instead ψs can be interpreted as yielding the energy required to increase the pressure. Indeed, even though all simulations have the same inflow pressure, the transient simulations of κp = 102 show how this produces a much lower pressure when ψs is the highest, meaning the case κs = 105 . 5.2.4 Numerical solvers comparison Problem (110) is very challenging from a computational point of view. Not only does it consider the already involved nonlinear mechanics 5.2 mathematical model for myocardial poromechanics (a) κp = 102 . (b) κp = 103 . (c) κp = 105 . Figure 21: Test 2: Evolution of the area in the nonlinear swelling test for κs in {102 , 103 , 105 }. 135 136 numerical solvers for cardiac perfusion (a) κp = 102 . (b) κp = 103 . (c) κp = 105 . Figure 22: Test 2: Evolution of the area in the nonlinear swelling test for κs in {102 , 103 , 105 }. 5.2 mathematical model for myocardial poromechanics 137 equations, but these are also coupled with a nonlinear parabolic problem. To shed light on the numerical strategy to use when solving this problem, in this section we compare monolithic and fixed point schemes. Note that the iterative methods developed in Chapter 3 are not applicable for problem (110b), as they mainly rely on the saddle point structure of the problem. One possible perspective would be that of proposing quasi-Newton schemes as in the nonlinear tests from Section 4.6. Still, the fixed-point approach can be interpreted as a splitting scheme using the discretized then split then linearize approach described in Chapter 3. We note that the specific form of the nonlinearity present in (110b) naturally yields a semi-implicit time discretization, which we consider as well. Consider a time step ∆t where ηn ≈ η(tn ) for any quantity of interest η. With these definitions, the time discrete strong problem reads: Find ys n+1 and ϕn+1 defined in Ω such that − div(P (F n+1 , ϕn+1 ) + Pa (F n+1 )) = f in Ω, (123a) ϕn+1 i − ϕn i ∆t − div Ki (F n+1 ) ∇ pi (F n+1 , ϕn+1 ) (123b) + NC X βij (pi (F n+1 , ϕn+1 ) − pj (F n+1 , ϕn+1 )) = Jn+1 θi j=1 (123c) for all i ∈ {1, ..., NC }. We refer to problem (123) as the implicit formulation. As proposed in Section 5.2.3, the pressure is actually writen pi = pi (J, ϕi ) so that its gradient can be further decomposed as ∇ pi (J, ϕi ) = ∂pi ∂pi ∇J+ ∇ ϕi . ∂J ∂ϕi We formulate the semi-implicit time discretization with the following approximations: • ∇ pi (Jn+1 , ϕn+1 ) ≈ ∂pi n+1 n+1 + ∂pi (Jn+1 , ϕn ) ∇ ϕn+1 . , ϕn i )∇J i i ∂J (J ∂ϕi • pi (Jn+1 , ϕn+1 ) ≈ pi (Jn+1 , ϕn i ). i The resulting semi-implicit formulation reads: Find ys n+1 and ϕn+1 defined in Ω such that − div(P (F n+1 , ϕn+1 ) + Pa (F n+1 )) = f, (124a) in Ω, 138 numerical solvers for cardiac perfusion C X ϕn+1 − ϕn i i βij (pi (F n+1 , ϕn ) − pj (F n+1 , ϕn )) + ∆t j=1 ∂pi n+1 n n+1 n+1 − div (J , ϕ )Ki (F ) ∇ ϕi ∂ϕi ∂pi n+1 n n+1 n+1 n+1 =J θi + div (J , ϕ )Ki (F )∇J ∂J N ∀i ∈ {1, ..., NC }. (124b) Remark. Although less clear from in the implicit scheme, both formulations require computing the quantity ∇ J. As we envision an implementation by means of the finite elements method, ys will be approximated by a piecewise linear (or quadratic) function ys,h which is globally continuous. This would yield a discontinuous discrete determinant Jh = det F (ys,h ). Throughout this section we approximate ∇ J with ∇(det F (ys,h )) in each element, which discards the boundary measures appearing from the gradient of the discontinuous and element-wise linear function det F (ys,h ). Another approach, which we use in Section 5.3, is to decouple both physics, which enables the use of the P1 projection of J. More precisely, we will use a stabilized projection which grants smoothing to the solution, given by J̃, which solves Z Z 2 Jq dx ∀q ∈ H1 (Ω). J̃q + h ∇ J̃ · ∇ q dx = Ω Ω We now write the weak form of both implicit and semi-implicit formulations. For this, we denote with p† the pressure, from which it will be understood that p† = p(Jn+1 , ϕn i + 1) in the implicit formulation, p† = p(Jn+1 , ϕn ) in the semi-implicit and the same difference i † will be made in ∇ p with a small abuse of notation. Consider Robin boundary conditions (111) for the displacement and homogeneous Neumann boundary conditions for the porosities, so that the weak form reads: Find ys n+1 ∈ H1 (Ω) and ϕ ∈ [H1 (Ω)]NC such that FS (ys n+1 , ϕn+1 ; ys ∗ ) := Z Z n+1 n+1 n+1 ∗ (P (F ,ϕ ) + Pa (F )) : ∇ ys dx − Ω g(ys n+1 ) · ys ∗ dS ∂Ω (125) = 0, ∗ , ys n+1 , ϕn FiM (ϕn+1 i ; ϕi ) i Z := C X ϕn+1 − ϕn i i ϕ∗i + Ki (F n+1 ) ∇ p†i · ∇ ϕ∗i + Jn+1 βij (p†i − p†j )ϕ∗i dx ∆t N Ω j=1 (126) Z = Ω Jn+1 θi ϕ∗i dx, for all test functions ys ∗ ∈ H1 (Ω), ϕ∗i ∈ H1 (Ω) and i ∈ {1, ..., NC }. Each formulation can be solved either with a Newton method or through fixed point iterations, which are detailed in Appendix B. In 5.2 mathematical model for myocardial poromechanics 139 particular, the fixed point iterations in this context will be given by: Consider an initial guess (ys n+1,0 , ϕn+1,0 ), then iterate the following until a convergence criterion is satisfied: 1. Find ys n+1,k+1 such that FS (ys n+1,k+1 , ϕn+1,k ; ys ∗ ) = 0 for all ys ∗ . ∗ 2. Find ϕn+1,k+1 such that FM (ϕn+1,k+1 , ys n+1,k+1 , ϕn i ; ϕi ) = 0 i i for all ϕ∗i and i ∈ {1, ..., NC }. 5.2.4.1 Numerical test: Convergence In this section we numerically verify the convergence of the monolithic and fixed point schemes, with and without a semi-implicit treatment. For this, we consider a square of side-length 10−2 h geometry i with parameters NC = 3, β = 10−3 and the potentials given by −1/3 ψskel = 2 · 103 (I1 I3 011 101 110 , ρf = ρs = 1060, kf = 10−7 −2/3 − 3) + 2 · 104 (I2 I3 − 3) + 2 · 104 (J − 1 − log(J)), ψi (ϕi ) = 0, Js ψs (Js ) = κs Js − Js,0 − log , Js,0 where I1 = tr C, I2 = 1/2 (tr C)2 − tr(C 2 ) , I3 = det C are the invariants of C = F T F and κs = 2 · 102 . The Dirichlet boundary conditions are given by ys = 0 on ∂Ωleft ∪ ∂Ωbottom , m=0 on ∂Ω, and the exact solutions are " # 0.5 t2 sin(2πx1 ) sin(2πx2 ) ys (x, t) = , −0.5 t2 sin(2πx1 ) sin(2πx2 ) 20 sin(2πx1 ) sin(2πx2 ) m(x, t) = 100 t2 (x1 − L)(x2 − L) sin(2πx1 ) sin(2πx2 ) , sin(x1 ) sin(x2 ) from which we compute the remaining Neumann boundary conditions for the displacement. We use first order continuous elements for the added mass and second order for the displacement, where the later is used to avoid ∇Jh = 0. We performed the space and time convergence analysis separately for: (i) Monolithic/fixed point methods and (ii) implicit/semi-implicit mass conservation, and show them in Appendix C. We note that convergence rates in space are as expected, being of second order for the H1 norm of the displacement and of first order for the H1 of the added-mass. Note also that apparently optimal L2 estimates could be obtained for the added-mass, but this does 140 numerical solvers for cardiac perfusion (a) Semi-implicit, ∆t = 10−3 . (b) Implicit, ∆t = 10−3 . (c) Semi-implicit, ∆t = 10−4 . (d) Implicit, ∆t = 10−4 . Figure 23: Wall time for 0.001 s of simulation with κs = 102 . not hold for the displacement. Also, time convergence was not always attainable even when using roughly 104 elements, which means that the spatial error dominates these phenomena. 5.2.4.2 Numerical test: Wall time comparison We consider the same setting as in the convergence test but with −6 2 4 0 1 NC = 2, β = 5 10 1 0 and test κs ∈ {10 , 10 } to have better agreement with physiological parameters. We show the results for κs = 102 and κs = 104 in Figures 23 and 24 respectively. We note that for a sufficiently small time step or for low bulk modulus, the fixed point iteration presents superior performance. Instead, the monolithic performs better with higher bulk modulus with a larger time-step. 5.3 coupled perfusion problem In this section we present the coupling between the epicardial coronary vessels and the myocardium. The resulting model is composed of three parts: 1. Blood flow starts at the aortic root with an inlet pressure given by pao . 5.3 coupled perfusion problem (a) Semi-implicit, ∆t = 10−3 . (b) Implicit, ∆t = 10−3 . (c) Semi-implicit, ∆t = 10−4 . (d) Implicit, ∆t = 10−4 . Figure 24: Wall time for 0.001 s of simulation with κs = 104 . 2. The blood flows through the coronaries into the tissue through a coupling condition between the coronaries and the tissue given by pressure continuity. 3. The blood leaves the tissue through the veins, which have a constant pressure equal to pveins = 1kPa [55]. Cardiac perfusion presents very complex spatial interactions, where one very important phenomenon is the pressure balance between each coronary vessels and the region it perfuses. To model this, we consider for each outlet vessel the region of the myocardium which is closest to it as in [70], which results in what is referred to as perfusion regions [60, 70], as shown in Figure 25. We use such subdivision to couple flows locally. For this, we denote with I the set of inlet segments where we assign the inlet pressure pao , and with O the set of outlet segments from the coronary vessel network and with Ωo the perfusion region corresponding to o ∈ O, where it holds that Ω = ∪o∈O Ωo . Blood flow is connected through each of the aforementioned components as follows: inlet pressure. All of the inlet segments stem from the aortic root, which means that the same pressure acts on them: i Pp = pao ∀i ∈ I. 141 142 numerical solvers for cardiac perfusion (a) Left view. (b) Right view. Figure 25: Perfusion regions induced by Zygote coronaries. effect of myocardium on coronaries. The outputs of the network have an assigned pressure equal to the average pressure in the first compartment, i.e. Z 1 o Pd = p1 dx ∀o ∈ O. (127) |Ωo | Ωo effect of coronaries on myocardium. The coronaries act on the myocardium by means of a source term which equals the surface flow on the output. For this, from we compute the source term as θ1 = Ωo o o αo Qo 1 d + (1 − α )Qp Qo = , |Ωo | |Ωo | (128) for all o ∈ O. the venous return. The last compartment interacts with the veins through a sink term which is proportional to the pressure difference with the veins: θNC = −γ(pNC − pveins ), where γ = 10−4 [128] and pveins = 1 kPa. We denote the solution of the coronary vessels as (Q, P , P ) if using the Bernoulli law (106), d p X= |S| |S| |S| |S| 1 1 1 1 (Qd , Qp , Pd , Pp , ..., Qd , Qp , Pd , Pp ) if using the lumped 0D model (109), which allows us to denote generically the epicardial coronary flow problem as GẊ + JX = 0. 5.4 the one-way coupling strategy 143 With it, we can write the entire coupled perfusion problem in weak form as follows: Find ys ∈ L1 (0, T ; H1 (Ω)), ϕi ∈ L1 (0, T ; H1 (Ω)) for i ∈ {1, ..., NC } and X such that Z (P + Pa (F )) : ∇ ys ∗ dx Ω Z − g(ys ) · ys ∗ dS = 0 Z Ω ∀ys ∗ ∈ H1 (Ω), ∂Ω dϕi ∗ ϕ + Ki (F ) ∇ pi · ∇ ϕ∗i dt i + NC X Z βij (pi − pj )ϕ∗i dx = j=1 Ω Jθi ϕ∗i dx ∂Ψ (F , ϕ), ∂F ∂Ψ pi = (F , ϕ), ∂ϕi GẊ + JX = 0, ∀ϕ∗i ∈ H1 (Ω), i ∈ {1, ..., NC }, P = i ∈ {1, ..., NC }, i Pp = pao ∀i ∈ I, Z 1 o p1 dx ∀o ∈ O, Pd = |Ωo | Ωo (129) where o o αo Qo 1 d +(1−α )Qp Qo = |Ω | |Ω | o o θi = −γ(pN − pveins ) C 0 i = 1, in region o, i = NC , i ∈ {1, NC }c . In view of coupling this model with systemic circulation, we consider the aortic pressure as an output of such model, which yields pao = pao (F ). Such models are well established in literature, and are based on the Windkessel model [191]. The entire model can be represented as shown in Figure 26. 5.4 the one-way coupling strategy We propose to neglect the influence of the blood on the tissue, which ∂ψskel can be stated as ∂Ψ ∂F ≈ ∂F . This hypothesis decouples the mass conservation equation (110b) from the mechanics (110a), which we refer to as the one-way coupling. This approach of course neglects the important role of blood pressure on the tissue, but it also has the following advantages: (i) Existing electromechanics models have 144 numerical solvers for cardiac perfusion Blood pressure/Volume change Blood perfusion Electromechanics Intramyocardial pressure/Compliance Windkessel Valve dynamics Aortic pressure Vessel resistance Pressure at aortic root Blood inflow Coronary vessels Figure 26: Diagram of interactions in the fully coupled perfusion model. been adjusted in literature in order to take into account the volume variation due to blood flow, (ii) the electromechanics is a computationally expensive problem which can be solved in a pre-computing stage with this approach and (iii) proposing blood flow for a given deformation enables the use of this framework in an already existing electromechanics solver. In virtue of the previous discussion, we consider throughout this section the displacement ys which solves the electromechanics problem − div(P (F ) + Pa (F )) = 0 Ω with Robin boundary conditions, and which is coupled with a circulation model capable of computing the aortic pressure pao = pao (F ), shown in Figure 27. Thus, in what follows ys and pao are known quantites for all t > 0. Indeed, we use the electromechanics model with systemic circulation proposed in [162], whose output is shown in Figure 27. The resulting problem can be represented as shown in Figure 28. This coupled problem is solved by means of a fixed-point iteration. As detailed in Appendix B, this means solving first the network for a given poromechanics solution and then use this solution in the mass conservation (110b). This procedure in general requires no more than 4 iterations. 5.5 numerical tests In this section we present two numerical tests where we solve problem (129) with the one-way coupling strategy. In the first test, the coronary vessels are considered by means of the Bernoulli law, whereas in the second we use a network of lumped 0D models. One of the main difficulties of poromechanics modeling is setting physiological 5.5 numerical tests (a) PV-loop. 145 (b) Aortic pressure. Figure 27: Output of the left ventricle displacement used for the one-way coupling. (a) PV-loop and (b) aortic pressure. Initial configuration considered at the end of diastole, depicted with light blue dot in (a). Blood perfusion Electromechanics Intramyocardial pressure/Compliance Windkessel Valve dynamics Aortic pressure Vessel resistance Pressure BC Blood inflow Coronary vessels Figure 28: Diagram of interactions in the one-way coupled perfusion model. 146 numerical solvers for cardiac perfusion parameters, which are in many cases patient-specific. Because of this, we detail the reasoning behind each choice. Network • From the coronaries geometry we were able to estimate the variables length (`) and area (A), as well as the entire network connectivity. • Wall thickness H belongs to the range 0.1 − 1 mm [163]. We use 0.5 mm. • Lamé’s parameters are an approximation, as vessel walls present nonlinear behavior. Nevertheless, in [21] they estimate Young’s modulus to be in the range of 70 − 130 kPa, whereas in [106] they estimated the Poisson ratio to be approximately 0.49. We then use E = 105 kPa, ν = 0.49, where the increased E is due to unphysical behavior observed in the network models due to large C. • Blood has a density of 1.06 gr/cm3 and a dynamic viscosity of 0.035 Pa · s. Myocardium • In [128] they used a static perfusion model with three compartments, where the first two have a permeability with prinmm2 mm2 cipal eigenvalues of 1 kPa·s and 10 kPa·s , and the third one mm2 mm2 mm2 20 kPa·s . We use k1 = 1 kPa s and k2 = 10 kPa s in our two compartments setting. Their interaction coefficients were estimated to be β12 = 0.02 (kPa · s)−1 , β23 = 0.05 (kPa · s)−1 , so we use β12 = 0.05 (kPa · s)−1 in our context. Also, they use γ = 0.1 (kPa · s)−1 , and so do we. • For the constitutive parameters shown in Table 26, we set NC = 2 and ψi as in [44]. Remark. The contribution of the nonlinear reaction given by the compartments interaction remains unexplored. In particular, it is possible to justify instability by an increasingly dominant reaction term in diverging Newton iterations. 5.5.1 Numerical tests with a Bernoulli 0D coronary flow In this section we study the passage of blood through the myocardium with the overly simplistic Bernoulli flow model in a single vessel segment with the aforementioned inlet/outlet areas and the inlet pressure obtained from the electromechanics. This is coupled to the myocardium through equations (127) and (128), presents a pressure re- 5.5 numerical tests (a) (b) Figure 29: Evolution of average (a) pressure and (b) added mass in both arteries and capillaries in the Bernoulli perfusion test. sponse given by the potential Ψ described in Section 5.2.3 and satisfies the boundary conditions detailed in Section 5.2, i.e. Robin conditions for the displacement and homogeneous Neumann conditions for the mass conservation. We use the solid potential ψs (Js ) = J−20 , s where the value 20 was manually calibrated. We report the evolution of pressure and added mass in Figure 29, where we report the third heartbeat, which presented a stationary dynamic. Looking at the pressures, we note the natural ordering of pressures, where it holds that pao > parteries > pcapillaries > pveins = 1 kPa. Also, there is an increase in the pressure during systole as expected. The pressure increase drives blood flow, which can be appreciated by looking at the added mass. The mass in the arteries is constant throughout the simulation, which is consistent with the low compliance of these vessels when compared to the capillaries (c3,arteries > c3,capillaries ). This yields that the variation of volume during contraction is given entirely by the deformation of the capillaries. Then, we show the spatial distribution of the added mass in the first compartment in Figure 30, in the second compartment in Figure 31 and the total added mass in Figure 32. The variation of blood is more accentuated in the endocardium, which is consistent with it being the structure which incurs in the largest volumetric deformation variation. This can be appreciated also in the arteries (first compartment), even though its average added mass presents little variation over time. 5.5.2 Numerical tests with lumped coronary network In this section we replicate the simulations from previous section but we consider instead a reduced model for the coronary network given 147 148 numerical solvers for cardiac perfusion (a) t = 0. (b) t = 0.2. (c) t = 0.5. Figure 30: Added mass evolution during third heartbeat in the first compartment (arteries) of Bernoulli coronaries test. (a) t = 0. (b) t = 0.2. (c) t = 0.5. Figure 31: Added mass evolution during third heartbeat in the second compartment (capillaries) of Bernoulli coronaries test. (a) t = 0. (b) t = 0.2. (c) t = 0.5. Figure 32: Total added mass evolution during third heartbeat of Bernoulli coronaries test. 5.5 numerical tests 149 by the Zygote coronaries and its induced perfusion regions as in Figure 25 and the solid potential ψs (Js ) = 5 · 104 (Js − 1 − log Js ), where the parameter 5 · 104 was chosen to match the quasi-incompressibility of the mechanics, in accordance to the quasi-incompressibilities test from Section 5.2.3. We prefer this law to the one used in the Bernoulli test as it has used in literature before [49, 56], so we test it in this more realistic scenario. We represent the coronaries as networks as shown in Figures 33 and 34. These specific geometry presents a small number of vessels with unrealistic areas, which initially yields unbalanced perfusion, i.e. small regions receive all the blood. To alleviate this, we have modified the area of each segment so as to obtain a more homogeneous inflow. More specifically, we used two methods: 1. An amplifying factor ξ in all areas, so that the new areas are given by Ãs = ξAs for all segments s. We have found ξ = 2 to give good results. 2. Ran simulations without deformation, then halved the area of all hiperperfused terminal vessels and doubled the area of all hipoperfused vessels until there were no noticeable imperfections in the blood inflow. Whenever doubling/halving proved too coarse, we used x0.75 and x1.5. The initial and final areas are displayed in Table 27. Also, the spatial heterogeneity of source terms given by the perfusion regions generates numerical instabilities due to the reaction term coming from the compartments interaction, for which we enlarged the permeability tensors to 10−7 . We show the evolution of the average pressure and the total mass in Figure 35, where the main differences with the previous case are spatial homogeneity of the capillaries and the heterogeneity of the arteries. We show the spatial distribution of added mass in Figures 36, 37 and 38. The flows induced in the right and left arteries are shown in Figure 39, where the left coronary vessel presents a much higher blood flow than the one on the right, which is anatomically correct. The values instead are slightly high, as the average blood flow through the coronaries is roughly 3.3cm3 /s [160], as opposed to the ≈ 7cm3 /s we obtained. Despite this fact, the model correctly captures the decrease of blood flow during systole and the myocardial blood filling during diastole. We note that this test presents a much more realistic spatial configuration, obtained in virtue of the interaction of the coronary vessels with the tissue. 150 numerical solvers for cardiac perfusion Original (10−6 m) Modified (10−6 m) 2 0.77 0.77 3 0.52 1.32 4 1.23 1.23 6 0.86 0.86 7 1.43 0.215 8 1.79 1.79 9 2.25 4.506 10 1.49 2.96 16 0.92 1.844 17 0.94 2.988 19 0.52 0.52 20 0.5 0.75 21 0.5 0.5 22 1.02 1.02 23 6.49 6.49 24 3.79 3.79 25 3.74 3.74 26 3.58 3.58 28 4.09 4.09 29 2.34 2.34 30 1.95 1.95 32 2.59 1.3 33 1.74 1.045 34 1.57 1.5 Table 27: Modified vessel areas for Zygote coronaries. 5.6 conclusions 26i 6 151 17o 7 8 16o 32 27 19o 22 33 20 21 21o 34 25 23 20o 24 22o 26 (a) Zygote geometry. (b) Reduced model and tags. Figure 33: Left coronary tree model reduction. Inlet and outlet segments denoted with ’i’ and ’o’ respectively. 5.6 conclusions In this chapter we presented a framework for modeling cardiac perfusion with a reduced model for the coronary vessels. We first extended the classical lumped vessel model, where the new formulation allows for arbitrary boundary conditions and network topologies. This model is sensitive to initial data, so we presented a procedure to obtain a stationary configuration with Aitken acceleration, which dramatically reduces the time required to converge. For the myocardium, we presented a novel thermodynamic potential which allows to decompose the internal pressure as the difference between the fluid and solid pressures. This model can be naturally extended to a multi-compartment formulation, for which we have presented convexity conditions which guarantee the well-posedness of the mechanics and mass conservation problems independently. We also presented a comparison between monolithic and iterative solvers for the poromechanics problem, together with a novel semi-implicit formulation which takes advantage of the nonlinear diffusion term. We note that the iterative solvers developed in Chapter 3 are not adapted to the nonlinear model solved in this chapter, as it does not present a saddle point structure. This happens because the Darcy law used for the fluid does not consider viscous dissipation, which greatly simplifies the problem. Finally, we present two simulations on a realis- 152 numerical solvers for cardiac perfusion (a) Zygote geometry. 23i 24 3 2 1 27 10o 10 25 5 9o 4 11 8o 28 30 9 7o 16 2o 17 12 29 18 3o 4o 13 14 28 6o 15 (b) Reduced model and tags. Figure 34: Right coronary tree model reduction. Inlet and outlet segments denoted with ’i’ and ’o’ respectively. (a) (b) Figure 35: Evolution of average (a) pressure and (b) added mass in both arteries and capillaries in the network perfusion test. 5.6 conclusions (a) t = 0. (b) t = 0.2. (c) t = 0.5. Figure 36: Added mass evolution during third heartbeat in the first compartment (arteries) of network coronaries test. (a) t = 0. (b) t = 0.2. (c) t = 0.5. Figure 37: Added mass evolution during third heartbeat in the second compartment (capillaries) of network coronaries test. (a) t = 0. (b) t = 0.2. (c) t = 0.5. Figure 38: Total added mass evolution during third heartbeat of network coronaries test. 153 154 numerical solvers for cardiac perfusion Figure 39: Blood flow in the right and left coronary arteries during a heartbeat. tic geometry, where we show the advantage of considering the spatial information regarding the position of the coronary vessel outlets. The model is able to reproduce physiological conditions and thus, combined with the use of electromechanics as a pre-computing stage, presents a powerful tool for the efficient creation of in-silico models. 6 CONCLUSIONS In this thesis we presented a computational framework for the development of in-silico models of cardiac perfusion, embedded in the circulatory system. This involves the development of mathematical models for the coronary vessels (both epicardial and intramural) and the myocardium, where the coupling with the circulatory system is done through the aortic pressure and the venous return pressure (i.e. in the coronaric sinus). Together, these aspects yield a perfusion model which is coupled to the systemic circulation. As quasi-incompressible models of the heart already account for the volume variations due to blood flow, we propose considering perfusion with a given deformation, computed from an electromechanics model. This approach drastically reduces the computational time, and we have indeed shown that this approach yields physiologically accurate results. We simulate flow in the epicardial vessels through a network of lumped Navier-Stokes models, where we added to the existing models the flexibility to handle any desired combination of boundary conditions, and thus obtained a lumped model which can handle arbitrary interface conditions in the network, meaning both boundary conditions (inflow/outflow) and the network connectivity. In addition, we have shown that this strategy presents little to no variation in the model solutions, but instead it can potentially improve the conditioning of the resulting linear problem. The intramural coronary vessels and myocardium are considered in a poromechanics framework, which substantially reduces the complexity of the physics under consideration. The numerical aspects of the resulting model has not received much attention, and so we have discussed and tested most of the points which involve its numerical approximation. Our point of departure for this is, based on our experience in cardiac modeling, the overall superiority of a monolithic approach. An obvious first step in this regard is the analysis of the tangent problem, which we presented in Chapter 2. The model studied is formally of elliptic character, but numerical evidence shows otherwise. This is mainly due to the small ellipticity constant of the pressure block, which yields a saddle-point problem in practice. We thoroughly studied this structure, where the related constraint appears as the divergence of the sum of the displacement and the fluid velocity, weighted by the porosity, and proved that the Taylor-Hood family of finite elements is adequate in this context, with both fluid velocity and displacement being approximated with elements of higher order than those used for the pressure. Still, satisfactory results are 155 156 conclusions obtained in practice by using elements of higher order only for the fluid. The linearized poromechanics model presents great resemblance to Biot’s consolidation model in soil mechanics. In that model, the most consolidated solution strategy is given by iterative splitting techniques, which are built upon the saddle point structure of the problem and present improved overall complexity. Based on this, we have successfully transferred the knowledge from Biot’s equations to our linearized model in Chapter 3, specifically for the undrained and fixed-stress splitting schemes. Both are two-way splitting strategies, where the mechanics are decoupled from the problem, and which require additional stabilization parameters to guarantee unconditional convergence. Such schemes can also be used as preconditioners, so we provide an additonal three-way splitting scheme based on the fixed-stress. Such ecosystem of iterative solvers is not a drawback but a feature, as each method behaves differently in specific applications. In our study, we have seen that the fixed-stress is very robust with respect to quasi-incompressibility, whereas the undrained performs better for compressible materials and is slightly more robust in a low permeability regime. These methods can be further improved with Anderson acceleration, which we have shown to contribute with significant robustness. Finally, we conclude with preliminary results for nonlinear elastic law, where the proposed schemes can be used as quasi-Newton solvers. Interestingly, the three-way split performs similarly to the two-way fixed stress (undrained does not work as biologic materials are better described through quasi-incompressibility), which has a much more significant impact in a high-performance environment, as the three discrete problems being solved are elliptic. These strategies are not suitable for the nonlinear poromechanics model considered in Chapter 4. This happens because this model uses a simple Darcy law for the fluid velocity, which allows for it to be reduced and results in two positive problems (the mechanics, coming from a polyconvex energy, and the porous media equation, which is in general degenerate-parabolic), instead of the original three problems with a saddle-point structure. In this context, we studied monolithic and fixed-point strategies, and showed that performance depends on the time-step used: Monolithic performs better with larger time-steps, fixed-point with smaller. One future study of interest in this regard is the use of quasi-Newton algorithms, which in this scenario would translate into neglecting one of the off-diagonal blocks. Although we have successfully addressed the numerical approximation of nonlinear poromechanics, mathematical modeling for cardiac perfusion is still a largely open area of research. We divide such problems in three areas: Analysis, models and applications. Regarding the analysis, this problem is heavily understudied. Firstly, it has been shown that the correct framework for the analysis of these mod- conclusions els is that of generalized gradient flows [39], but minimization procedures are not very common in finite elasticity, due to the lack of a-priori estimates and also due to the Lavrentiev phenomenon [75]. Because of this, the Euler-Lagrange equations require deeper analysis, which has not yet been developed. Still, we were able to provide guidelines for devising constitutive laws for both mechanics and porous media, but the argument is far from being closed. Secondly, poromechanics models are still not mature. This can be seen in particular by the various different approaches which we have mentioned throughout our work, and in particular we stress that constitutive modeling in poromechanics has not yet achieved a state in which it is useful in a patient agnostic manner, and perhaps this goal is not even possible to achieve in this context. Models for coronary vessels are being studied, but still there has been no groundbreaking landmark which enables a more fluent translation of models into clinical applications. Lastly, clinical applications of perfusion models still present some major challenges, where probably the most relevant one is the accurate segmentation of in-vivo coronary vessels, to which perfusion models show a very high sensitivity. Another challenge for clinical translation is the applicability of blood in the tissue, which can be directly used in metabolic models. Such models present entirely different time scales to the ones involved in cardiac modeling, for instance the most perfused areas of the myocardium can develop ischemia in as little as 3 minutes [90], but even this scenario would require the simulation of hundreds of heartbeats. 157 APPENDIX 159 A SADDLE POINT PROBLEMS In this appendix we present some well-known results regarding saddle point problems which we use throughout the analysis. The first one is a discrete invertibility result, for reference see [19]. Theorem 13. Let A, B, C be matrices such that A is positive definite, C is positive semidefinite and ker C ∩ ker B T = {0}. Then, the matrix M defined as " # A BT M= B −C is invertible. The next one is a generalization of the Ladyzhenskaya-BabuškaBrezzi condition, which we adapt from [22]. Theorem 14. Consider bilinear continuous forms A : V × V → R, B1 : V × Q → R and B2 : V × Q → R for Hilbert spaces V, Q. Under the following hypotheses: sup v∈V sup v∈V A(v, v∗ ) > αkv∗ kV kvkV B1 (v, q) > β1 kqkQ kvkV ∀v ∈ V, sup A(v, v∗ ) > 0 ∀v∗ ∈ V, v∈V ∀q ∈ Q, sup v∈V B2 (v, q) > β2 kqkQ kvkV ∀q ∈ Q, the following problem has a unique solution: Find (u, p) in V × Q such that A(u, v) + B1 (v, p) = F(v) ∀v ∈ V, (130) B2 (u, q) = G(q) ∀q ∈ Q. Assuming that (uh , ph ) is the solution to a conforming Galerkin scheme in spaces Vh × Qh , then the following convergence estimate holds for constants C1 , C2 , C3 , C4 depending on the ellipticity constant of A, the inf-sup constants of B1 , B2 and the continuity constants of all bilinear forms: ku − uh kV 6 C1 inf ku − vh kV + C2 inf kp − qh kQ , vh ∈Vh qh ∈Qh kp − ph kQ 6 C3 inf ku − vh kV + C4 inf kp − qh kQ . vh ∈Vh qh ∈Qh 161 B NUMERICAL METHODS FOR NONLINEAR PROBLEMS We consider the numerical solution of the nonlinear system of equations f(x, y) = 0, (131) g(x, y) = 0, and with each we shall show the different possible approaches for numerically approximating its solution. This problem incorporates two important difficulties: It is a coupled problem, and it is nonlinear. A monolithic approach refers to solving (131) as one big system, which means looking at it as (132) F(x, y) = 0, where F(x, y) = (f(x, y), g(x, y)). Instead, an iterative procedure can be adopted, in which we solve the following partial problems until a certain convergence criterion is satisfied: 1. Given xk , find yk+1 that satisfies f(xk , yk+1 ) = 0. 2. Given yk+1 , find xk+1 that satisfies g(xk+1 , yk+1 ) = 0. Iterative schemes such as the latter are referred to as fixed-point iteration. To see this, we assume that such problems are uniquely solvable, such that the solution operators yk+1 = F(xk ) xk+1 = G(yk+1 ) are well-defined. If so, the iterative procedure described can be recast as finding x (or y) such that x = G ◦ F(x) (or y = F ◦ G(y)). In any case, nonlinear problems need to be solved. For this we employ Newton’s method with the vectorial problem (132). By using a firstorder approximation, we can write " # k+1 − xk x F(xk+1 , yk+1 ) = F(xk , yk ) + DF (xk , yk ) . yk+1 − yk 163 164 numerical methods for nonlinear problems The iterative scheme comes from imposing F(xk+1 , yk+1 ) = 0, which gives the iteration # " # " −1 xk xk+1 − DF (xk , yk ) F(xk , yk ). = k k+1 y y This method is general, and can be used to solve both the monolithic formulation and the partial problems. We observe that (i) Newton’s method results in an iterative procedure that can be interpreted as a fixed-point iteration and that (ii) in many applications the computation of DF (xk , yk ) is very expensive, which motivates the use of quasi-Newton methods, in which a proxy is used instead: DF (xk , yk ) −1 ≈ H(xk , yk ) −1 . For a comparison between monolithic and staggered algorithms in cardiac modeling, see [67, 79]. C CONVERGENCE OF NONLINEAR MODEL 165 166 convergence of nonlinear model (a) m. (b) m. (c) ys . (d) ys . Figure 40: Convergence in space for implicit monolithic formulation. (a) m. (b) m. (c) ys . (d) ys . Figure 41: Convergence in space for semi-implicit monolithic formulation. convergence of nonlinear model (a) m. (b) m. (c) ys . (d) ys . Figure 42: Convergence in space for implicit fixed point formulation. (a) m. (b) m. (c) ys . (d) ys . Figure 43: Convergence in space for semi-implicit fixed point formulation. 167 168 convergence of nonlinear model (a) m. (b) m. (c) ys . (d) ys . Figure 44: Convergence in time for implicit monolithic formulation. (a) m. (b) m. (c) ys . (d) ys . Figure 45: Convergence in time for semi-implicit monolithic formulation. convergence of nonlinear model (a) m. (b) m. (c) ys . (d) ys . Figure 46: Convergence in time for implicit fixed point formulation. (a) m. (b) m. (c) ys . (d) ys . Figure 47: Convergence in time for semi-implicit fixed point formulation. 169 BIBLIOGRAPHY [1] J.H. Adler, F.J. Gaspar, X. Hu, C. Rodrigo, and L.T. 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