Immersogeometric fluid–structure interaction analysis of bioprosthetic heart valves

The purpose of this dissertation is to develop numerical methods for fluid–structure interaction (FSI) analysis that are suitable for modeling and simulating bioprosthetic heart valves (BHVs). BHVs are prosthetic replacements for the valves that regulate blood flow through the heart. BHVs reproduce natural hemodynamic conditions by mimicking the structure of native heart valves: they consist of thin flexible leaflets, passively driven by interaction with surrounding fluid. Current designs frequently require replacement 10–15 years after implantation. Computer simulation may help identify causes of and solutions to durability issues. Despite much previous research into computer simulation of heart valve FSI, inconvenience or inaccuracy of readily available numerical methods have prevented widespread incorporation of FSI into models of heart valve mechanics. Challenges associated with heart valve FSI simulation include large deformations of the region occupied by fluid, with changes of topology as the valve opens and closes, and low mass of the structure relative to the fluid, which necessitates careful treatment of fluid–structure coupling. The presence of large pressure gradients also requires special attention to the treatment of fluid mass conservation. Further, a useful numerical method for studying and improving designs of BHVs should be able to capture variations of valve geometry without requiring major effort to construct geometry-specific discretizations. To meet these challenges, I develop a new numerical approach, combining the immersed boundary concept of capturing fluid–structure interfaces on unfitted discretizations with recent developments in isogeometric analysis (IGA), which directly uses geometrical designs of engineered systems as discrete analysis meshes. In this work, I immerse an isogeometric structure discretization into an unfitted analysis mesh of the fluid subproblem. I refer to the immersion of design geometries into unfitted analysis meshes as immersogeometric analysis. To reliably couple unfitted discretizations of the fluid and structure subproblems, I introduce a new semi-implicit time integration procedure and analyze its stability and convergence in the context of linear model problems. I verify that this analysis extrapolates to the nonlinear setting through numerical experiments and explore the validity of my modeling assumptions by comparing computer simulations with observations from an in vitro experiment.Computational Science, Engineering, and Mathematic

Automated shape and thickness optimization for non-matching isogeometric shells using free-form deformation

Isogeometric analysis (IGA) has emerged as a promising approach in the field of structural optimization, benefiting from the seamless integration between the computer-aided design (CAD) geometry and the analysis model by employing non-uniform rational B-splines (NURBS) as basis functions. However, structural optimization for real-world CAD geometries consisting of multiple non-matching NURBS patches remains a challenging task. In this work, we propose a unified formulation for shape and thickness optimization of separately-parametrized shell structures by adopting the free-form deformation (FFD) technique, so that continuity with respect to design variables is preserved at patch intersections during optimization. Shell patches are modeled with isogeometric Kirchhoff--Love theory and coupled using a penalty-based method in the analysis. We use Lagrange extraction to link the control points associated with the B-spline FFD block and shell patches, and we perform IGA using the same extraction matrices by taking advantage of existing finite element assembly procedures in the FEniCS partial differential equation (PDE) solution library. Moreover, we enable automated analytical derivative computation by leveraging advanced code generation in FEniCS, thereby facilitating efficient gradient-based optimization algorithms. The framework is validated using a collection of benchmark problems, demonstrating its applications to shape and thickness optimization of aircraft wings with complex shell layouts

Projection-based stabilization of interface Lagrange multipliers in immersogeometric fluid–thin structure interaction analysis, with application to heart valve modeling

This paper discusses a method of stabilizing Lagrange multiplier fields used to couple thin immersed shell structures and surrounding fluids. The method retains essential conservation properties by stabilizing only the portion of the constraint orthogonal to a coarse multiplier space. This stabilization can easily be applied within iterative methods or semi-implicit time integrators that avoid directly solving a saddle point problem for the Lagrange multiplier field. Heart valve simulations demonstrate applicability of the proposed method to 3D unsteady simulations. An appendix sketches the relation between the proposed method and a high-order-accurate approach for simpler model problems

Atomistically-informed continuum modeling and isogeometric analysis of 2D materials over holey substrates

This work develops, discretizes, and validates a continuum model of a molybdenum disulfide (MoS$_2$) monolayer interacting with a periodic holey silicon nitride substrate via van der Waals (vdW) forces. The MoS$_2$ layer is modeled as a geometrically nonlinear Kirchhoff-Love shell, and vdW forces are modeled by a Lennard-Jones potential, simplified using approximations for a smooth substrate topography. The material parameters of the shell model are calibrated by comparing small-strain tensile and bending tests with atomistic simulations. This model is efficiently discretized using isogeometric analysis (IGA) for the shell structure and a pseudo-time continuation method for energy minimization. The IGA shell model is validated against fully-atomistic calculations for several benchmark problems with different substrate geometries. The continuum simulations reproduce deflections, strains and curvatures predicted by atomistic simulations, which are known to strongly affect the electronic properties of MoS$_2$, with deviations well below the modeling errors suggested by differences between the widely-used reactive empirical bond order and Stillinger-Weber interatomic potentials. Agreement with atomistic results depends on geometric nonlinearity in some cases, but a simple isotropic St. Venant-Kirchhoff model is found to be sufficient to represent material behavior. We find that the IGA discretization of the continuum model has a much lower computational cost than atomistic simulations, and expect that it will enable efficient design space exploration in strain engineering applications. This is demonstrated by studying the dependence of strain and curvature in MoS$_2$ over a holey substrate as a function of the hole spacing on scales inaccessible to atomistic calculations. The results show an unexpected qualitative change in the deformation pattern below a critical hole separation

The tetrahedral finite cell method for fluids: Immersogeometric analysis of turbulent flow around complex geometries

We present a tetrahedral finite cell method for the simulation of incompressible flow around geometrically complex objects. The method immerses such objects into non-boundary-fitted meshes of tetrahedral finite elements and weakly enforces Dirichlet boundary conditions on the objects’ surfaces. Adaptively-refined quadrature rules faithfully capture the flow domain geometry in the discrete problem without modifying the non-boundary-fitted finite element mesh. A variational multiscale formulation provides accuracy and robustness in both laminar and turbulent flow conditions. We assess the accuracy of the method by analyzing the flow around an immersed sphere for a wide range of Reynolds numbers. We show that quantities of interest such as the drag coefficient, Strouhal number and pressure distribution over the sphere are in very good agreement with reference values obtained from standard boundary-fitted approaches. We place particular emphasis on studying the importance of the geometry resolution in intersected elements. Aligning with the immersogeometric concept, our results show that the faithful representation of the geometry in intersected elements is critical for accurate flow analysis. We demonstrate the potential of our proposed method for high-fidelity industrial scale simulations by performing an aerodynamic analysis of an agricultural tractor

Biomechanical behavior of bioprosthetic heart valve heterograft tissues: characterization, simulation, and performance

The use of replacement heart valves continues to grow due to the increased prevalence of valvular heart disease resulting from an ageing population. Since bioprosthetic heart valves (BHVs) continue to be the preferred replacement valve, there continues to be a strong need to develop better and more reliable BHVs through and improved the general understanding of BHV failure mechanisms. The major technological hurdle for the lifespan of the BHV implant continues to be the durability of the constituent leaflet biomaterials, which if improved can lead to substantial clinical impact. In order to develop improved solutions for BHV biomaterials, it is critical to have a better understanding of the inherent biomechanical behaviors of the leaflet biomaterials, including chemical treatment technologies, the impact of repetitive mechanical loading, and the inherent failure modes. This review seeks to provide a comprehensive overview of these issues, with a focus on developing insight on the mechanisms of BHV function and failure. Additionally, this review provides a detailed summary of the computational biomechanical simulations that have been used to inform and develop a higher level of understanding of BHV tissues and their failure modes. Collectively, this information should serve as a tool not only to infer reliable and dependable prosthesis function, but also to instigate and facilitate the design of future bioprosthetic valves and clinically impact cardiology

Immersogeometric cardiovascular fluid–structure interaction analysis with divergence-conforming B-splines

This paper uses a divergence-conforming B-spline fluid discretization to address the long-standing issue of poor mass conservation in immersed methods for computational fluid–structure interaction (FSI) that represent the influence of the structure as a forcing term in the fluid subproblem. We focus, in particular, on the immersogeometric method developed in our earlier work, analyze its convergence for linear model problems, then apply it to FSI analysis of heart valves, using divergence-conforming B-splines to discretize the fluid subproblem. Poor mass conservation can manifest as effective leakage of fluid through thin solid barriers. This leakage disrupts the qualitative behavior of FSI systems such as heart valves, which exist specifically to block flow. Divergence-conforming discretizations can enforce mass conservation exactly, avoiding this problem. To demonstrate the practical utility of immersogeometric FSI analysis with divergence-conforming B-splines, we use the methods described in this paper to construct and evaluate a computational model of an in vitro experiment that pumps water through an artificial valve

An anisotropic constitutive model for immersogeometric fluid–structure interaction analysis of bioprosthetic heart valves

This paper considers an anisotropic hyperelastic soft tissue model, originally proposed for native valve tissue and referred to herein as the Lee–Sacks model, in an isogeometric thin shell analysis framework that can be readily combined with immersogeometric fluid–structure interaction (FSI) analysis for high-fidelity simulations of bioprosthetic heart valves (BHVs) interacting with blood flow. We find that the Lee–Sacks model is well-suited to reproduce the anisotropic stress–strain behavior of the cross-linked bovine pericardial tissues that are commonly used in BHVs. An automated procedure for parameter selection leads to an instance of the Lee–Sacks model that matches biaxial stress–strain data from the literature more closely, over a wider range of strains, than other soft tissue models. The relative simplicity of the Lee–Sacks model is attractive for computationally-demanding applications such as FSI analysis and we use the model to demonstrate how the presence and direction of material anisotropy affect the FSI dynamics of BHV leaflets

A contact formulation based on a volumetric potential: Application to isogeometric simulations of atrioventricular valves

This work formulates frictionless contact between solid bodies in terms of a repulsive potential energy term and illustrates how numerical integration of the resulting forces is computationally similar to the “pinball algorithm” proposed and studied by Belytschko and collaborators in the 1990s. We thereby arrive at a numerical approach that has both the theoretical advantages of a potential-based formulation and the algorithmic simplicity, computational efficiency, and geometrical versatility of pinball contact. The singular nature of the contact potential requires a specialized nonlinear solver and an adaptive time stepping scheme to ensure reliable convergence of implicit dynamic calculations. We illustrate the effectiveness of this numerical method by simulating several benchmark problems and the structural mechanics of the right atrioventricular (tricuspid) heart valve. Atrioventricular valve closure involves contact between every combination of shell surfaces, edges of shells, and cables, but our formulation handles all contact scenarios in a unified manner. We take advantage of this versatility to demonstrate the effects of chordal rupture on tricuspid valve coaptation behavior