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The Kohn-Sham equation is a powerful, widely used approach for computation of ground state electronic energies and densities in chemistry, materials science, biology, and nanosciences. In this paper, we study the adaptive finite element…

Numerical Analysis · Mathematics 2013-11-22 Huajie Chen , Xiaoying Dai , Xingao Gong , Lianhua He , Aihui Zhou

In this paper, the numerical approximation of isometric deformations of thin elastic shells is discussed. To this end, for a thin shell represented by a parametrized surface, it is shown how to transform the stored elastic energy for an…

Numerical Analysis · Mathematics 2022-07-01 Martin Rumpf , Stefan Simon , Christoph Smoch

Parametric finite elements lead to very efficient numerical methods for surface evolution equations. We introduce several computational techniques for curvature driven evolution equations based on a weak formulation for the mean curvature.…

Numerical Analysis · Mathematics 2020-01-17 John W. Barrett , Harald Garcke , Robert Nürnberg

We consider the evolution of curve networks in two dimensions (2d) and surface clusters in three dimensions (3d). The motion of the interfaces is described by surface diffusion, with boundary conditions at the triple junction points/lines,…

Numerical Analysis · Mathematics 2022-11-07 Weizhu Bao , Harald Garcke , Robert Nürnberg , Quan Zhao

A systematic expression quantifying the wave energy skewing phenomenon as a function of the mechanical characteristics of a non-isotropic structure is derived in this study. A structure of arbitrary anisotropy, layering and geometric…

Applied Physics · Physics 2017-06-30 D. Chronopoulos

We consider the numerical approximation of a continuum model of antiferromagnetic and ferrimagnetic materials. The state of the material is described in terms of two unit-length vector fields, which can be interpreted as the magnetizations…

Numerical Analysis · Mathematics 2023-12-11 Hywel Normington , Michele Ruggeri

We introduce discontinuous spectral-element methods of arbitrary order that are well balanced, conservative of mass, and conservative or dissipative of total energy (i.e., a mathematical entropy function) for a covariant flux formulation of…

Numerical Analysis · Mathematics 2026-02-10 Tristan Montoya , Andrés M. Rueda-Ramírez , Gregor J. Gassner

We develop a cut finite element method for the Darcy problem on surfaces. The cut finite element method is based on embedding the surface in a three dimensional finite element mesh and using finite element spaces defined on the three…

Numerical Analysis · Mathematics 2017-10-11 Peter Hansbo , Mats G. Larson , Andre Massing

This paper develops a comprehensive mathematical framework for energy-based modeling of physical systems, with particular emphasis on preserving fundamental structural properties throughout the modeling and discretization process. The…

Numerical Analysis · Mathematics 2025-12-11 M. H. M Rashid

We consider a sharp interface formulation for an anisotropic multi-phase Mullins-Sekerka problem with kinetic undercooling. The flow is characterized by a cluster of surfaces evolving such that the total surface energy plus a weighted sum…

Numerical Analysis · Mathematics 2026-02-23 Tokuhiro Eto , Harald Garcke , Robert Nürnberg

To model ferromagnetic material in finite element analysis a correct description of the constitutive relationship (BH-law) must be found from measured data. This article proposes to use the energy density function as a centrepiece. Using…

Mathematical Physics · Physics 2012-12-21 Jens Krause

We propose a sharp interface model for simulating solid-state dewetting where the surface energy is (weakly) anisotropic. The morphology evolution of thin films is governed by surface diffusion and contact line migration. The mathematical…

Materials Science · Physics 2015-06-22 Yan Wang , Wei Jiang , Weizhu Bao , Dave J. Srolovitz

Based on a recent novel formulation of parametric anisotropic curve shortening flow, we analyse a fully discrete numerical method of this geometric evolution equation. The method uses piecewise linear finite elements in space and a backward…

Numerical Analysis · Mathematics 2023-03-01 Klaus Deckelnick , Robert Nürnberg

The problem of simulating solid-state dewetting of thin films in three dimensions (3D) by using a sharp-interface approach is considered in this paper. Based on the thermodynamic variation, a speed method is used for calculating the first…

Soft Condensed Matter · Physics 2020-03-03 Wei Jiang , Quan Zhao , Weizhu Bao

The effective-surface approximation is extended taking into account derivatives of the symmetry-energy density per particle with respect to the mean particle density. The isoscalar and isovector particle densities in this extended…

Nuclear Theory · Physics 2016-01-20 J. P. Blocki , A. G. Magner , P. Ring

The presence of corners in the computational domain, in general, reduces the regularity of solutions of parabolic problems and diminishes the convergence properties of the finite element approximation introducing a so-called "pollution…

Numerical Analysis · Mathematics 2019-03-19 Piotr Swierczynski , Barbara Wohlmuth

We develop a theoretical framework for the analysis of stabilized cut finite element methods for the Laplace-Beltrami operator on a manifold embedded in $\mathbb{R}^d$ of arbitrary codimension. The method is based on using continuous…

Numerical Analysis · Mathematics 2016-10-07 Erik Burman , Peter Hansbo , Mats G. Larson , Andre Massing

In this work, we bridge standard adaptive mesh refinement and coarsening on scalable octree background meshes and robust unfitted finite element formulations for the automatic and efficient solution of large-scale nonlinear solid mechanics…

Numerical Analysis · Mathematics 2021-09-01 Santiago Badia , Manuel Caicedo , Alberto F. Martín , Javier Principe

We combine the parameterization method for invariant manifolds with the finite element method for elliptic PDEs,to obtain a new computational framework for high order approximation of invariant manifolds attached to unstable equilibrium…

Dynamical Systems · Mathematics 2022-03-08 Jorge Gonzalez , J. D Mireles-James , Necibe Tuncer

We study a nonlocal diffusion equation of porous medium type featuring a generalised fractional pressure with spatial anisotropy. We construct a finite element method for the numerical solution of the equation on a bounded open Lipschitz…

Numerical Analysis · Mathematics 2026-04-15 Stefano Fronzoni