Axel Voigt

Rainer Backofen, Steven M. Wise, Marco Salvalaglio et al.

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.

Ingo Nitschke, Sebastian Reuther, Axel Voigt

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.

Michael Nestler, Ingo Nitschke, Axel Voigt

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.

Thomas Witkowski, Axel Voigt

We consider within a finite element approach the usage of different adaptively refined meshes for different variables in systems of nonlinear, time-depended PDEs. To resolve different solution behaviours of these variables, the meshes can be independently adapted. The resulting linear systems are usually much smaller, when compared to the usage of a single mesh, and the overall computational runtime can be more than halved in such cases. Our multi-mesh method works for Lagrange finite elements of arbitrary degree and is independent of the spatial dimension. The approach is well defined, and can be implemented in existing adaptive finite element codes with minimal effort. We show computational examples in 2D and 3D ranging from dendritic growth to solid-solid phase-transitions. A further application comes from fluid dynamics where we demonstrate the applicability of the approach for solving the incompressible Navier-Stokes equations with Lagrange finite elements of the same order for velocity and pressure. The approach thus provides an easy to implement alternative to stabilized finite element schemes, if Lagrange finite elements of the same order are required.

Simon Praetorius, Axel Voigt

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.

Simon Praetorius, Marco Salvalaglio, Axel Voigt

The study of polycrystalline materials requires theoretical and computational techniques enabling multiscale investigations. The amplitude expansion of the phase field crystal model (APFC) allows for describing crystal lattice properties on diffusive timescales by focusing on continuous fields varying on length scales larger than the atomic spacing. Thus, it allows for the simulation of large systems still retaining details of the crystal lattice. Fostered by the applications of this approach, we present here an efficient numerical framework to solve its equations. In particular, we consider a real space approach exploiting the finite element method. An optimized preconditioner is developed in order to improve the convergence of the linear solver. Moreover, a mesh adaptivity criterion based on the local rotation of the polycrystal is used. This results in an unprecedented capability of simulating large, three-dimensional systems including the dynamical description of the microstructures in polycrystalline materials together with their dislocation networks.

Sebastian Reuther, Axel Voigt

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.

Michael Nestler, Ingo Nitschke, Simon Praetorius et al.

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.