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In electronic structure calculations, various material properties can be obtained by means of computing the total energy of a system as well as derivatives of the total energy w.r.t. atomic positions. The derivatives, also known as…

Computational Physics · Physics 2021-01-07 Robert Cimrman , Matyáš Novák , Radek Kolman , Miroslav Tůma , Jiří Vackář

This paper recalls the principles of the finite-element methods (FEM) theory and declines its application in the EN-MME group, for the numerical modelling and study of particle accelerator equipment. Implicit and explicit methods are…

We consider the approximation of the 2D frictionless contact problem in elasticity using the Virtual Element Methods (VEMs). To overcome the volumetric locking phenomenon in the nearly incompressible case, we adopt a mixed…

Numerical Analysis · Mathematics 2026-01-07 C. Lovadina , L. Molinari

This work studies the approximation of plane problems concerning transversely isotropic elasticity, using a low-order Virtual Element Method (VEM), with a focus on near-incompressibility and near-inextensibility. Additionally, both…

Numerical Analysis · Mathematics 2019-03-06 D. van Huyssteen , B. D. Reddy

We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…

Computational Engineering, Finance, and Science · Computer Science 2018-05-23 Mihkel Veske , Andreas Kyritsakis , Kristjan Eimre , Vahur Zadin , Alvo Aabloo , Flyura Djurabekova

In this paper, an enhanced Virtual Element Method (VEM) formulation is proposed for plane elasticity. It is based on the improvement of the strain representation within the element, without altering the degree of the displacement…

Numerical Analysis · Mathematics 2021-02-24 A. M. D'Altri , S. de Miranda , L. Patruno , E. Sacco

The computational cost of concurrent multiscale finite element methods is dominated by the repeated solution of microscopic representative volume element (RVE) problems at macroscopic quadrature points. In this work, we introduce a…

Numerical Analysis · Mathematics 2026-04-08 Yiren Wang , Michael Ortiz , Fehmi Cirak

In this work a novel method for the analysis with trimmed CAD surfaces is presented. The method involves an additional mapping step and the attraction stems from its sim- plicity and ease of implementation into existing Finite Element (FEM)…

Numerical Analysis · Computer Science 2015-01-28 Gernot Beer , Benjamin Marussig , Jürgen Zechner

The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…

Computational Physics · Physics 2012-02-20 J. E. Sprittles , Y. D. Shikhmurzaev

We introduce a novel virtual element method (VEM) for the two dimensional Helmholtz problem endowed with impedance boundary conditions. Local approximation spaces consist of Trefftz functions, i.e., functions belonging to the kernel of the…

Numerical Analysis · Mathematics 2018-10-26 L. Mascotto , I. Perugia , A. Pichler

We report on the investigation of an approach for modelling light transmission through systems consisting of several jointed optical fibres, in which the analytical modelling of the waveguides was replaced by Finite Element Modelling (FEM)…

Applied Physics · Physics 2018-07-31 Natascia Castagna , Jacques Morel , Luc Testa , Sven Burger

In this work we present a novel bulk-surface virtual element method (BSVEM) for the numerical approximation of elliptic bulk-surface partial differential equations (BSPDEs) in three space dimensions. The BSVEM is based on the discretisation…

Numerical Analysis · Mathematics 2023-05-24 Massimo Frittelli , Anotida Madzvamuse , Ivonne Sgura

The present paper is the second part of a twofold work, whose first part is reported in [3], concerning a newly developed Virtual Element Method (VEM) for 2D continuum problems. The first part of the work proposed a study for linear elastic…

Numerical Analysis · Mathematics 2018-10-24 Edoardo Artioli , Lourenco Beirão da Veiga , Carlo Lovadina , Elio Sacco

The particle-in-cell (PIC) method has been widely used for plasma simulation, because of its noise-reduction capability and moderate computational cost. The immersed finite element (IFE) method is efficient for solving interface problems on…

Numerical Analysis · Mathematics 2019-10-18 Jinwei Bai , Yong Cao , Yuchuan Chu , Xu Zhang

We present a finite element method (FEM) solver for computation of optical resonance modes in VCSELs. We perform a convergence study and demonstrate that high accuracies for 3D setups can be attained on standard computers. We also…

Optics · Physics 2012-03-02 M. Rozova , J. Pomplun , L. Zschiedrich , F. Schmidt , S. Burger

A refined a priori error analysis of the lowest order (linear) Virtual Element Method (VEM) is developed for approximating a model two dimensional Poisson problem. A set of new geometric assumptions is proposed on shape regularity of…

Numerical Analysis · Mathematics 2018-10-25 Shuhao Cao , Long Chen

We present numerical tests of the Virtual Element Method (VEM) tailored for the discretization of a three dimensional Poisson problem with high-order "polynomial" degree (up to $p=10$). Besides, we discuss possible reasons for which the…

Numerical Analysis · Mathematics 2017-09-14 Lorenzo Mascotto , Franco Dassi

A new field of numerical astrophysics is introduced which addresses the solution of large, multidimensional structural or slowly-evolving problems (rotating stars, interacting binaries, thick advective accretion disks, four dimensional…

Astrophysics · Physics 2009-10-30 David L. Meier

We compare convergence of isogeometric analysis (IGA), a spline modification of finite element method (FEM), with FEM in the context of our real space code for ab-initio electronic structure calculations of non-periodic systems. The…

Computational Physics · Physics 2021-01-07 Robert Cimrman , Matyáš Novák , Radek Kolman , Miroslav Tůma , Jiří Vackář

An approximation of a system coupling the cross-diffusion of chemical species within a solvent, subjected to an electric field, is obtained through a control volume finite element (CVFE) scheme on general simplicial meshes in two or three…

Numerical Analysis · Mathematics 2026-03-17 Arne Berrens , Robert Eymard
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