arXiv subjects

Wolfgang A. Wall

Publications and source records attributed to Wolfgang A. Wall.

At least 73 records · Page 4Linked to original sources

arXiv2021

A computational framework for modeling cell-matrix interactions in soft biological tissues

Living soft tissues appear to promote the development and maintenance of a preferred mechanical state within a defined tolerance around a so-called set-point. This phenomenon is often referred to as mechanical homeostasis. In contradiction to the prominent role of mechanical homeostasis in various (patho)physiological processes, its underlying micromechanical mechanisms acting on the level of individual cells and fibers remain poorly understood, especially, how these mechanisms on the microscale lead to what we macroscopically call mechanical homeostasis. Here, we present a novel finite element based computational framework that is constructed bottom up, that is, it models key mechanobiological mechanisms such as actin cytoskeleton contraction and molecular clutch behavior of individual cells interacting with a reconstructed three-dimensional extracellular fiber matrix. The framework reproduces many experimental observations regarding mechanical homeostasis on short time scales (hours), in which the deposition and degradation of extracellular matrix can largely be neglected. This model can serve as a systematic tool for future in silico studies of the origin of the numerous still unexplained experimental observations about mechanical homeostasis.

cs.CE↗

arXiv2021

Spatial Mapping of Powder Layer Density for Metal Additive Manufacturing via X-ray Microscopy

Uniform powder spreading is a requisite for creating consistent, high-quality components via powder bed additive manufacturing (AM), wherein layer density and uniformity are complex functions of powder characteristics, spreading kinematics, and mechanical boundary conditions. High spatial variation in particle packing density, driven by the stochastic nature of the spreading process, impedes optical interrogation of these layer attributes. Thus, we present transmission X-ray imaging as a method for directly mapping the effective depth of powder layers at process-relevant scale and resolution. Specifically, we study layers of nominal 50-250 micrometer thickness, created by spreading a selection of commercially obtained Ti-6Al-4V, 316 SS, and Al-10Si-Mg powders into precision-depth templates. We find that powder layer packing fraction may be predicted from a combination of the relative thickness of the layer as compared to mean particle size, and flowability assessed by macroscale powder angle of repose. Power spectral density analysis is introduced as a tool for quantification of defect severity as a function of morphology, and enables separate consideration of layer uniformity and sparsity. Finally, spreading is studied using multi-layer templates, providing insight into how particles interact with both previously deposited material and abrupt changes in boundary condition. Experimental results are additionally compared to a purpose-built discrete element method (DEM) powder spreading simulation framework, clarifying the competing role of adhesive and gravitational forces in layer uniformity and density, as well as particle motion within the powder bed during spreading.

physics.app-ph↗

arXiv2021

An SPH framework for fluid-solid and contact interaction problems including thermo-mechanical coupling and reversible phase transitions

The present work proposes an approach for fluid-solid and contact interaction problems including thermo-mechanical coupling and reversible phase transitions. The solid field is assumed to consist of several arbitrarily-shaped, undeformable but mobile rigid bodies, that are evolved in time individually and allowed to get into mechanical contact with each other. The fluid field generally consists of multiple liquid or gas phases. All fields are spatially discretized using the method of smoothed particle hydrodynamics (SPH). This approach is especially suitable in the context of continually changing interface topologies and dynamic phase transitions without the need for additional methodological and computational effort for interface tracking as compared to mesh- or grid-based methods. Proposing a concept for the parallelization of the computational framework, in particular concerning a computationally efficient evaluation of rigid body motion, is an essential part of this work. Finally, the accuracy and robustness of the proposed framework is demonstrated by several numerical examples in two and three dimensions, involving multiple rigid bodies, two-phase flow, and reversible phase transitions, with a focus on two potential application scenarios in the fields of engineering and biomechanics: powder bed fusion additive manufacturing (PBFAM) and disintegration of food boluses in the human stomach. The efficiency of the parallel computational framework is demonstrated by a strong scaling analysis.

cs.CE↗

arXiv2021

A Novel Modeling and Simulation Approach for the Hindered Mobility of Charged Particles in Biological Hydrogels

This article presents a novel computational model to study the selective filtering of biological hydrogels due to the surface charge and size of diffusing particles. It is the first model that includes the random 3D fiber orientation and connectivity of the biopolymer network and that accounts for elastic deformations of the fibers by means of beam theory. As a key component of the model, novel formulations are proposed both for the electrostatic and repulsive steric interactions between a spherical particle and a beam. In addition to providing a thorough validation of the model, the presented computational studies yield new insights into the underlying mechanisms of hindered particle mobility, especially regarding the influence of the aforementioned aspects that are unique to this model. It is found that the precise distribution of fiber and thus charge agglomerations in the network have a crucial influence on the mobility of oppositely charged particles and gives rise to distinct motion patterns. Considering the high practical significance for instance with respect to targeted drug release or infection defense, the provided proof of concept motivates further advances of the model toward a truly predictive computational tool that allows a case- and patient-specific assessment for real (biological) systems.

physics.bio-ph↗

arXiv2020

Disordered biopolymer filament bundles: Topological defects and kinks

Bundles of stiff filaments are ubiquitous in the living world, found both in the cytoskeleton and in the extracellular medium. These bundles are typically held together by smaller cross-linking molecules. We demonstrate analytically, numerically and experimentally that such bundles can be kinked, i.e., have localized regions of high curvature that are long-lived metastable states. We propose three possible mechanisms of kink stabilization: a difference in trapped length of the filament segments between two cross links; a dislocation where the endpoint of a filament occurs within the bundle, and the braiding of the filaments in the bundle. At a high concentration of cross links, the last two effects lead to the topologically protected kinked states. Finally, we explore numerically and analytically the transition of the metastable kinked state to the stable straight bundle.

cond-mat.soft↗

arXiv2020

A weakly compressible hybridizable discontinuous Galerkin formulation for fluid-structure interaction problems

A scheme for the solution of fluid-structure interaction (FSI) problems with weakly compressible flows is proposed in this work. A novel hybridizable discontinuous Galerkin (HDG) method is derived for the discretization of the fluid equations, while the standard continuous Galerkin (CG) approach is adopted for the structural problem. The chosen HDG solver combines robustness of discontinuous Galerkin (DG) approaches in advection-dominated flows with higher order accuracy and efficient implementations. Two coupling strategies are examined in this contribution, namely a partitioned Dirichlet-Neumann scheme in the context of hybrid HDG-CG discretizations and a monolithic approach based on Nitsche's method, exploiting the definition of the numerical flux and the trace of the solution to impose the coupling conditions. Numerical experiments show optimal convergence of the HDG and CG primal and mixed variables and superconvergence of the postprocessed fluid velocity. The robustness and the efficiency of the proposed weakly compressible formulation, in comparison to a fully incompressible one, are also highlighted on a selection of two and three dimensional FSI benchmark problems.

physics.flu-dyn↗

arXiv2020

Directed force propagation in semiflexible networks

We consider the propagation of tension along specific filament of a semiflexible filament network in response to the application of a point force using a combination of numerical simulations and analytic theory. We find the distribution of force within the network is highly heterogenous, with a small number of fibers supporting a significant fraction of the applied load over distances of multiple mesh sizes surrounding the point of force application. We suggest that these structures may be thought of as tensile force chains, whose structure we explore via simulation. We develop self-consistent calculations of the point-force response function and introduce a transfer matrix approach to explore the decay of tension (into bending) energy and the branching of tensile force chains in the network.

cond-mat.soft↗

arXiv2020

On phase change and latent heat models in metal additive manufacturing process simulation

This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical efficiency. Specifically, a systematic formulation of phase fraction variables is proposed relying either on temperature- or enthalpy-based interpolation schemes. Moreover, two well-known schemes for the numerical treatment of latent heat, namely the apparent capacity and the so-called heat integration scheme, are critically reviewed and compared with respect to numerical efficiency and overall accuracy. Eventually, a novel variant of the heat integration scheme is proposed that allows to directly control efficiency and accuracy by means of a user-defined tolerance. Depending on the chosen tolerance, it is shown that this novel approach offers increased numerical efficiency for a given level of accuracy or improved accuracy for a given level of numerical efficiency as compared to the apparent capacity and the original heat integration scheme. The investigation and comparison of all considered schemes is based on a series of numerical test cases that are representative for application scenarios in metal powder bed fusion additive manufacturing.

cs.CE↗

arXiv2020

High-order arbitrary Lagrangian-Eulerian discontinuous Galerkin methods for the incompressible Navier-Stokes equations

This paper presents robust discontinuous Galerkin methods for the incompressible Navier-Stokes equations on moving meshes. High-order accurate arbitrary Lagrangian-Eulerian formulations are proposed in a unified framework for both monolithic as well as projection or splitting-type Navier-Stokes solvers. The framework is flexible, allows implicit and explicit formulations of the convective term, and adaptive time-stepping. The Navier-Stokes equations with ALE transport term are solved on the deformed geometry storing one instance of the mesh that is updated from one time step to the next. Discretization in space is applied to the time discrete equations so that all weak forms and mass matrices are evaluated at the end of the current time step. This design ensures that the proposed formulations fulfill the geometric conservation law automatically, as is shown theoretically and demonstrated numerically by the example of the free-stream preservation test. We discuss the peculiarities related to the imposition of boundary conditions in intermediate steps of projection-type methods and the ingredients needed to preserve high-order accuracy. We show numerically that the formulations proposed in this work maintain the formal order of accuracy of the Navier-Stokes solvers. Moreover, we demonstrate robustness and accuracy for under-resolved turbulent flows.

physics.comp-ph↗

arXiv2019

Hybrid multigrid methods for high-order discontinuous Galerkin discretizations

The present work develops hybrid multigrid methods for high-order discontinuous Galerkin discretizations of elliptic problems. Fast matrix-free operator evaluation on tensor product elements is used to devise a computationally efficient PDE solver. The multigrid hierarchy exploits all possibilities of geometric, polynomial, and algebraic coarsening, targeting engineering applications on complex geometries. Additionally, a transfer from discontinuous to continuous function spaces is performed within the multigrid hierarchy. This does not only further reduce the problem size of the coarse-grid problem, but also leads to a discretization most suitable for state-of-the-art algebraic multigrid methods applied as coarse-grid solver. The relevant design choices regarding the selection of optimal multigrid coarsening strategies among the various possibilities are discussed with the metric of computational costs as the driving force for algorithmic selections. We find that a transfer to a continuous function space at highest polynomial degree (or on the finest mesh), followed by polynomial and geometric coarsening, shows the best overall performance. The success of this particular multigrid strategy is due to a significant reduction in iteration counts as compared to a transfer from discontinuous to continuous function spaces at lowest polynomial degree (or on the coarsest mesh). The coarsening strategy with transfer to a continuous function space on the finest level leads to a multigrid algorithm that is robust with respect to the penalty parameter of the SIPG method. Detailed numerical investigations are conducted for a series of examples ranging from academic test cases to more complex, practically relevant geometries. Performance comparisons to state-of-the-art methods from the literature demonstrate the versatility and computational efficiency of the proposed multigrid algorithms.

physics.comp-ph↗

arXiv2019

A Computational Model for Molecular Interactions Between Curved Slender Fibers Undergoing Large 3D Deformations With a Focus on Electrostatic, van der Waals and Repulsive Steric Forces

This contribution proposes the first 3D beam-to-beam interaction model for molecular interactions between curved slender fibers undergoing large deformations. While the general model is not restricted to a specific beam formulation, in the present work it is combined with the geometrically exact beam theory and discretized via the finite element method. A direct evaluation of the total interaction potential for general 3D bodies requires the integration of contributions from molecule or charge distributions over the volumes of the interaction partners, leading to a 6D integral (two nested 3D integrals) that has to be solved numerically. Here, we propose a novel strategy to formulate reduced section-to-section interaction laws for the resultant interaction potential between a pair of cross-sections of two slender fibers such that only two 1D integrals along the fibers' length directions have to be solved numerically. This section-to-section interaction potential (SSIP) approach yields a significant gain in efficiency, which is essential to enable the simulation of relevant time and length scales for many practical applications. In a first step, the generic structure of SSIP laws, which is suitable for the most general interaction scenario (e.g. fibers with arbitrary cross-section shape and inhomogeneous atomic/charge density within the cross-section) is presented. Assuming circular, homogeneous cross-sections, in a next step, specific analytical expressions for SSIP laws describing short-range volume interactions (e.g. van der Waals or steric interactions) and long-range surface interactions (e.g. Coulomb interactions) are proposed. The validity of the SSIP laws as well as the accuracy and robustness of the general SSIP approach to beam-to-beam interactions is thoroughly verified by means of a set of numerical examples considering steric repulsion, electrostatic or van der Waals adhesion.

cs.CE↗

arXiv2019

Investigation of the Peeling and Pull-off Behavior of Adhesive Elastic Fibers via a Novel Computational Beam Interaction Model

This article studies the fundamental problem of separating two adhesive elastic fibers based on numerical simulation employing a recently developed finite element model for molecular interactions between curved slender fibers. Specifically, it covers the two-sided peeling and pull-off process starting from fibers contacting along its entire length to fully separated fibers including all intermediate configurations and the well-known physical instability of snapping into contact and snapping free. We analyze the resulting force-displacement curve showing a rich and highly nonlinear system behavior arising from the interplay of adhesion, mechanical contact interaction and structural resistance against (axial, shear and bending) deformation. While similar to one-sided peeling studies from the literature, a distinct initiation and peeling phase can be observed, the two-sided peeling setup considered in the present work reveals the extended final pull-off stage as third characteristic phase. Moreover, the influence of different material and interaction parameters such as Young's modulus as well as type (electrostatic or van der Waals) and strength of adhesion is critically studied. Most importantly, it is found that the maximum force occurs in the pull-off phase for electrostatic attraction, but in the initiation phase for van der Waals adhesion. In addition to the physical system behavior, the most important numerical aspects required to simulate this challenging computational problem in a robust and accurate manner are discussed. Thus, besides the insights gained into the considered two-fiber system, this study provides a proof of concept facilitating the application of the employed model to larger and increasingly complex systems of slender fibers.

cs.CE↗

arXiv2019

A consistent and comprehensive computational approach for general Fluid-Structure-Contact Interaction problems

We present a consistent approach that allows to solve challenging general nonlinear fluid-structure-contact interaction (FSCI) problems. The underlying continuous formulation includes both "no-slip" fluid-structure interaction as well as frictionless contact between multiple elastic bodies. The respective interface conditions in normal and tangential orientation and especially the role of the fluid stress within the region of closed contact are discussed for the general problem of FSCI. To ensure continuity of the tangential constraints from no-slip to frictionless contact, a transition is enabled by using the general Navier condition with varying slip length. Moreover, the fluid stress in the contact zone is obtained by an extension approach as it plays a crucial role for the lift-off behavior of contacting bodies. With the given continuity of the spatially continuous formulation, continuity of the discrete problem (which is essential for the convergence of Newton's method) is reached naturally. As topological changes of the fluid domain are an inherent challenge in FSCI configurations, a non-interface fitted Cut Finite Element Method (CutFEM) is applied to discretize the fluid domain. All interface conditions, that is the `no-slip' FSI, the general Navier condition, and frictionless contact are incorporated using Nitsche based methods, thus retaining the continuity and consistency of the model. To account for the strong interaction between the fluid and solid discretization, the overall coupled discrete system is solved monolithically. Numerical examples of varying complexity are presented to corroborate the developments.

cs.CE↗

arXiv2019

The conformation of a semiflexible filament in a quenched random potential

Motivated by the observation of the storage of excess elastic free energy - (prestress) -- in cross linked semiflexible networks, we consider the problem of the conformational statistics of a single semiflexible polymer in a quenched random potential. The random potential, which represents the effect of cross linking to other filaments is assumed to have a finite correlation length $ξ$ and mean strength $V_{0}$. We examine statistical distribution of curvature in filament with thermal persistence length $\ell_{P}$ and length $L_0$ in the limit that $\ell_{P} \gg L_0$. We compare our theoretical predictions to finite element Brownian dynamics simulations. Lastly we comment on the validity of replica field techniques in addressing these questions.

cond-mat.soft↗

arXiv2018

Automatic Mapping of Atrial Fiber Orientations for Patient-Specific Modeling of Cardiac Electromechanics using Image-Registration

Knowledge of appropriate local fiber architecture is necessary to simulate patient-specific electromechanics in the human heart. However, it is not yet possible to reliably measure in-vivo fiber directions, especially in human atria. Thus, we present a method which defines the fiber architecture in arbitrarily shaped atria using image registration and reorientation methods based on atlas atria with fibers predefined from detailed histological observations. Thereby, it is possible to generate detailed fiber families in every new patient-specific geometry in an automated, time-efficient process. We demonstrate the good performance of the image registration and fiber definition on ten differently shaped human atria. Additionally, we show that characteristics of the electrophysiological activation pattern which appear in the atlas atria also appear in the patients' atria. We arrive at analogous conclusions for coupled electro-mechano-hemodynamical computations.

physics.med-ph↗

arXiv2018

Modern discontinuous Galerkin methods for the simulation of transitional and turbulent flows in biomedical engineering: A comprehensive LES study of the FDA benchmark nozzle model

This work uses high-order discontinuous Galerkin discretization techniques as a generic, parameter-free, and reliable tool to accurately predict transitional and turbulent flows through medical devices. Flows through medical devices are characterized by moderate Reynolds numbers and typically involve different flow regimes such as laminar, transitional, and turbulent flows. Previous studies for the FDA benchmark nozzle model revealed limitations of Reynolds-averaged Navier-Stokes turbulence models when applied to more complex flow scenarios. Recent works based on large-eddy simulation approaches indicate that these limitations can be overcome but also highlight potential limitations due to a high sensitivity with respect to numerical parameters. The novel methodology presented in this work is based on two key ingredients. Firstly, we use high-order discontinuous Galerkin methods for discretization in space yielding a discretization approach that is robust, accurate, and generic. The inherent dissipation properties of high-order discontinuous Galerkin discretizations render this approach well-suited for transitional and turbulent flow simulations. Secondly, a precursor simulation approach is applied in order to correctly predict the inflow boundary condition for the whole range of laminar, transitional, and turbulent flow regimes. This approach eliminates the need to fit parameters of the numerical solution approach. We investigate the whole range of Reynolds numbers as suggested by the FDA benchmark nozzle problem in order to critically assess the predictive capabilities of the solver. The results presented in this study are compared to experimental data obtained by particle image velocimetry demonstrating that the approach is capable of correctly predicting the flow for different flow regimes.

physics.flu-dyn↗

arXiv2018

Parametric model order reduction and its application to inverse analysis of large nonlinear coupled cardiac problems

Predictive high-fidelity finite element simulations of human cardiac mechanics co\-mmon\-ly require a large number of structural degrees of freedom. Additionally, these models are often coupled with lumped-parameter models of hemodynamics. High computational demands, however, slow down model calibration and therefore limit the use of cardiac simulations in clinical practice. As cardiac models rely on several patient-specific parameters, just one solution corresponding to one specific parameter set does not at all meet clinical demands. Moreover, while solving the nonlinear problem, 90\% of the computation time is spent solving linear systems of equations. We propose a novel approach to reduce only the structural dimension of the monolithically coupled structure-windkessel system by projection onto a lower-dimensional subspace. We obtain a good approximation of the displacement field as well as of key scalar cardiac outputs even with very few reduced degrees of freedom while achieving considerable speedups. For subspace generation, we use proper orthogonal decomposition of displacement snapshots. To incorporate changes in the parameter set into our reduced order model, we provide a comparison of subspace interpolation methods. We further show how projection-based model order reduction can be easily integrated into a gradient-based optimization and demonstrate its performance in a real-world multivariate inverse analysis scenario. Using the presented projection-based model order reduction approach can significantly speed up model personalization and could be used for many-query tasks in a clinical setting.

cs.CE↗

arXiv2018

Extended Comment on the Article "Consistent Development of a Beam-To-Beam Contact Algorithm via the Curve to Solid Beam Contact - Analysis for the Non-Frictional Case"

In the authors' previous works, novel finite element formulations for the contact interaction of slender beams have been proposed. In their recent article "Consistent Development of a Beam-To-Beam Contact Algorithm via the Curve to Solid Beam Contact - Analysis for the Non-Frictional Case", Konyukhov et al. refer extensively to the aforementioned works by the authors. However, many of these statements turn out to be scientifically incorrect and not only question the quality and correctness of the authors' previous works in a way that is neither objective nor justified but also might cause quite some confusion to researchers in this field. Hence, the authors find it necessary to comment on these statements, disprove them if incorrect, and demonstrate the correctness of the derivations made in their previous works.

cs.CE↗