arXiv subjects

Axel Voigt

Publications and source records attributed to Axel Voigt.

At least 91 records · Page 5Linked to original sources

arXiv2019

A finite element approach for vector- and tensor-valued surface PDEs

We derive a Cartesian componentwise description of the covariant derivative of tangential tensor fields of any degree on general manifolds. This allows to reformulate any vector- and tensor-valued surface PDE in a form suitable to be solved by established tools for scalar-valued surface PDEs. We consider piecewise linear Lagrange surface finite elements on triangulated surfaces and validate the approach by a vector- and a tensor-valued surface Helmholtz problem on an ellipsoid. We experimentally show optimal (linear) order of convergence for these problems. The full functionality is demonstrated by solving a surface Landau-de Gennes problem on the Stanford bunny. All tools required to apply this approach to other vector- and tensor-valued surface PDEs are provided.

math.NA↗

arXiv2019

Hydrodynamic interactions in polar liquid crystals on evolving surfaces

We consider the derivation and numerical solution of the flow of passive and active polar liquid crystals, whose molecular orientation is subjected to a tangential anchoring on an evolving curved surface. The underlying passive model is a simplified surface Ericksen-Leslie model, which is derived as a thin-film limit of the corresponding three-dimensional equations with appropriate boundary conditions. A finite element discretization is considered and the effect of hydrodynamics on the interplay of topology, geometric properties and defect dynamics is studied for this model on various stationary and evolving surfaces. Additionally, we consider an active model. We propose a surface formulation for an active polar viscous gel and exemplarily demonstrate the effect of the underlying curvature on the location of topological defects on a torus.

physics.comp-ph↗

arXiv2018

Defects at grain boundaries: A coarse-grained, three-dimensional description by the amplitude expansion of the phase-field crystal model

We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element method calculations. This approach allows for the description of microscopic features, such as dislocations, while simultaneously being able to describe length scales that are orders of magnitude larger than the lattice spacing. Moreover, it allows for the direct description of extended defects by means of a scalar order parameter. The versatility of this framework is shown by considering both fcc and bcc lattice symmetries and different rotation axes. First, the specific case of planar, twist grain boundaries is illustrated. The details of the method are reported and the consistency of the results with literature is discussed. Then, the dislocation networks forming at the interface between a spherical, rotated crystal embedded in an unrotated crystalline structure, are shown. Although explicitly accounting for dislocations which lead to an anisotropic shrinkage of the rotated grain, the extension of the spherical grain boundary is found to decrease linearly over time in agreement with the classical theory of grain growth and recent atomistic investigations. It is shown that the results obtained for a system with bcc symmetry agree very well with existing results, validating the methodology. Furthermore, fully original results are shown for fcc lattice symmetry, revealing the generality of the reported observations.

cond-mat.mtrl-sci↗

arXiv2018

A microscopic field theoretical approach for binary mixtures of active and passive particles

We consider a phase field crystal modeling approach for binary mixtures of interacting active and passive particles. The approach allows to describe generic properties for such systems within a continuum model. We validate the approach by reproducing experimental results, as well as results obtained with agent-based simulations, for the whole spectrum from highly dilute suspensions of passive particles to interacting active particles in a dense background of passive particles.

cond-mat.soft↗

arXiv2018

Active crystals on a sphere

Two-dimensional crystals on curved manifolds exhibit nontrivial defect structures. Here, we consider "active crystals" on a sphere, which are composed of self-propelled colloidal particles. Our work is based on a new phase-field-crystal-type model that involves a density and a polarization field on the sphere. Depending on the strength of the self-propulsion, three different types of crystals are found: a static crystal, a self-spinning "vortex-vortex" crystal containing two vortical poles of the local velocity, and a self-translating "source-sink" crystal with a source pole where crystallization occurs and a sink pole where the active crystal melts. These different crystalline states as well as their defects are studied theoretically here and can in principle be confirmed in experiments.

cond-mat.soft↗

arXiv2017

Convexity splitting in a phase field model for surface diffusion

Convexity splitting like schemes with improved accuracy are proposed for a phase field model for surface diffusion. The schemes are developed to enable large scale simulations in three spatial dimensions describing experimentally observed solid state dewetting phenomena. We introduce a first and a second order unconditionally energy stable scheme and carefully elaborate the loss in accuracy associated with large time steps in such schemes. We then present a family of Rosenbrock convex splitting schemes. We show the existence of a maximal numerical timestep and demonstrate the increase of this maximal numerical time step by at least one order of magnitude using a Rosenbrock method. This scheme is used to study the effect of contact angle on solid state dewetting phenomena.

math.NA↗

arXiv2017

Nematic liquid crystals on curved surfaces - a thin film limit

We consider a thin film limit of a Landau-de Gennes Q-tensor model. In the limiting process we observe a continuous transition where the normal and tangential parts of the Q-tensor decouple and various intrinsic and extrinsic contributions emerge. Main properties of the thin film model, like uniaxiality and parameter phase space, are preserved in the limiting process. For the derived surface Landau-de Gennes model, we consider an L2-gradient flow. The resulting tensor-valued surface partial differential equation is numerically solved to demonstrate realizations of the tight coupling of elastic and bulk free energy with geometric properties.

cond-mat.soft↗

arXiv2017

Solving the incompressible surface Navier-Stokes equation by surface finite elements

We consider a numerical approach for the incompressible surface Navier-Stokes equation on surfaces with arbitrary genus $g(\mathcal{S})$. The approach is based on a reformulation of the equation in Cartesian coordinates of the embedding $\mathbb{R}^3$, penalization of the normal component, a Chorin projection method and discretization in space by surface finite elements for each component. The approach thus requires only standard ingredients which most finite element implementations can offer. We compare computational results with discrete exterior calculus (DEC) simulations on a torus and demonstrate the interplay of the flow field with the topology by showing realizations of the Poincaré-Hopf theorem on $n$-tori.

math.NA↗

arXiv2017

Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model

One of the major difficulties in employing phase field crystal (PFC) modeling and the associated amplitude (APFC) formulation is the ability to tune model parameters to match experimental quantities. In this work we address the problem of tuning the defect core and interface energies in the APFC formulation. We show that the addition of a single term to the free energy functional can be used to increase the solid-liquid interface and defect energies in a well-controlled fashion, without any major change to other features. The influence of the newly added term is explored in two-dimensional triangular and honeycomb structures as well as bcc and fcc lattices in three dimensions. In addition, a finite element method (FEM) is developed for the model that incorporates a mesh refinement scheme. The combination of the FEM and mesh refinement to simulate amplitude expansion with a new energy term provides a method of controlling microscopic features such as defect and interface energies while simultaneously delivering a coarse-grained examination of the system.

cond-mat.mtrl-sci↗

arXiv2017

Orientational order on surfaces - the coupling of topology, geometry, and dynamics

We consider the numerical investigation of surface bound orientational order using unit tangential vector fields by means of a gradient-flow equation of a weak surface Frank-Oseen energy. The energy is composed of intrinsic and extrinsic contributions, as well as a penalization term to enforce the unity of the vector field. Four different numerical discretizations, namely a discrete exterior calculus approach, a method based on vector spherical harmonics, a surface finite-element method, and an approach utilizing an implicit surface description, the diffuse interface method, are described and compared with each other for surfaces with Euler characteristic 2. We demonstrate the influence of geometric properties on realizations of the Poincare-Hopf theorem and show examples where the energy is decreased by introducing additional orientational defects.

math.NA↗

arXiv2017

Curvature controlled defect dynamics in topological active nematics

We study the spatiotemporal patterns that emerge when an active nematic film is topologically constraint. These topological constraints allow to control the non-equilibrium dynamics of the active system. We consider ellipsoidal shapes for which the resulting defects are 1/2 disclinations and analyze the relation between their location and dynamics and local geometric properties of the ellipsoid. We highlight two dynamic modes: a tunable periodic state that oscillates between two defect configurations on a spherical shape and a tunable rotating state for oblate spheroids. We further demonstrate the relation between defects and high Gaussian curvature and umbilical points and point out limits for a coarse-grained description of defects as self-propelled particles.

cond-mat.soft↗

arXiv2017

Discrete exterior calculus (DEC) for the surface Navier-Stokes equation

We consider a numerical approach for the incompressible surface Navier-Stokes equation. The approach is based on the covariant form and uses discrete exterior calculus (DEC) in space and a semi-implicit discretization in time. The discretization is described in detail and related to finite difference schemes on staggered grids in flat space for which we demonstrate second order convergence. We compare computational results with a vorticity-stream function approach for surfaces with genus 0 and demonstrate the interplay between topology, geometry and flow properties. Our discretization also allows to handle harmonic vector fields, which we demonstrate on a torus.

math.NA↗

arXiv2016

Collective migration under hydrodynamic interactions -- a computational approach

Substrate-based cell motility is essential for fundamental biological processes, such as tissue growth, wound healing and immune response. Even if a comprehensive understanding of this motility mode remains elusive, progress has been achieved in its modeling using a whole cell physical model. The model takes into account the main mechanisms of cell motility - actin polymerization, substrate mediated adhesion and actin-myosin dynamics and combines it with steric cell-cell and hydrodynamic interactions. The model predicts the onset of collective cell migration, which emerges spontaneously as a result of inelastic collisions of neighboring cells. Each cell here modeled as an active polar gel, is accomplished with two vortices if it moves. Open collision of two cells the two vortices which come close to each other annihilate. This leads to a rotation of the cells and together with the deformation and the reorientation of the actin filaments in each cell induces alignment of these cells and leads to persistent translational collective migration. The effect for low Reynolds numbers is as strong as in the non-hydrodynamic model, but it decreases with increasing Reynolds number.

q-bio.CB↗

arXiv2016

A mesoscopic field theoretical approach for active systems

We introduce a mesocopic modeling approach for active systems. The continuum model allows to consider microscopic details as well as emerging macroscopic behavior and can be considered as a minimal continuum model to describe generic properties of active systems with isotropic agents. The model combines aspects from phase field crystal (PFC) models and Toner-Tu models. The results are validated by reproducing results obtained with corresponding agent-based microscopic models. We consider binary collisions, collective motion and vortex formation. For larger numbers of particles we analyze the coarsening process in active crystals and identify giant number fluctuation in the cluster formation process.

cond-mat.soft↗

arXiv2015

Margination of white blood cells - a computational approach by a hydrodynamic phase field model

We numerically investigate margination of white blood cells and demonstrate the dependency on a number of conditions including hematocrit, the deformability of the cells and the Reynolds number. A detailed mesoscopic hydrodynamic Helfrich-type model is derived, validated and used for the simulations to provides a quantitative description of the margination of white blood cells. Previous simulation results, obtained with less detailed models, could be confirmed, e.g. the largest probability of margination of white blood cells at an intermediate range of hematocrit values and a decreasing tendency with increasing deformability. The consideration of inertia effects, which become of relevance in small vessels, also shows a dependency and leads to less pronounced margination of white blood cells with increasing Reynolds number.

physics.bio-ph↗

arXiv2015

A mechanism for cell motility by active polar gels

We analyse a generic motility model, with the motility mechanism arising by contractile stress due to the interaction of myosin and actin. A hydrodynamic active polar gel theory is used to model the cytoplasm of a cell and is combined with a Helfrich-type model to account for membrane properties. The overall model allows to consider motility without the necessity for local adhesion. Besides a detailed numerical approach together with convergence studies for the highly nonlinear free boundary problem, we also compare the induced flow field of the motile cell with that of classical squirmer models and identify the motile cell as a puller or pusher, depending on the strength of the myosin-actin interactions.

q-bio.CB↗

arXiv2015

Development and Analysis of a Block-Preconditioner for the Phase-Field Crystal Equation

We develop a preconditioner for the linear system arising from a finite element discretization of the Phase Field Crystal (PFC) equation. The PFC model serves as an atomic description of crystalline materials on diffusive time scales and thus offers the opportunity to study long time behaviour of materials with atomic details. This requires adaptive time stepping and efficient time discretization schemes, for which we use an embedded Rosenbrock scheme. To resolve spatial scales of practical relevance, parallel algorithms are also required, which scale to large numbers of processors. The developed preconditioner provides such a tool. It is based on an approximate factorization of the system matrix and can be implemented efficiently. The preconditioner is analyzed in detail and shown to speed up the computation drastically.

physics.comp-ph↗

arXiv2015

A Navier Stokes Phase Field Crystal Model for Colloidal Suspensions

We develop a fully continuous model for colloidal suspensions with hydrodynamic interactions. The Navier Stokes Phase Field Crystal (NS-PFC) model combines ideas of dynamic density functional theory with particulate flow approaches and is derived in detail and related to other dynamic density functional theory approaches with hydrodynamic interactions. The derived system is numerically solved using adaptive finite elements and used to analyse colloidal crystallization in flowing environments demonstrating a strong coupling in both directions between the crystal shape and the flow field. We further validate the model against other computational approaches for particulate flow systems for various colloidal sedimentation problems.

cond-mat.soft↗