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We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…

Materials Science · Physics 2009-11-07 Weinan E , Zhongyi Huang

Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the…

Numerical Analysis · Mathematics 2013-09-25 Derek Olson , Pavel Bochev , Mitchell Luskin , Alexander V. Shapeev

A novel boundary element method (BEM) removes the classical dependence on explicit fundamental solutions and extends quasi-optimal BEM discretisations to strongly elliptic operators with variable coefficients. The approach constructs a…

Numerical Analysis · Mathematics 2026-05-22 Benedikt Gräßle , Stefan A. Sauter

This work focuses on model preparation for electrostatic simulations of CAD designs to realize a rapid virtual prototyping concept. We present a boundary element method (BEM) allowing discontinuous fields between surfaces. The corresponding…

Computational Engineering, Finance, and Science · Computer Science 2024-12-13 Benjamin Marussig , Thomas Rüberg , Jürgen Zechner , Lars Kielhorn , Thomas-Peter Fries

Concurrent multiscale methods play an important role in modeling and simulating materials with defects, aiming to achieve the balance between accuracy and efficiency. Atomistic-to-continuum (a/c) coupling methods, a typical class of…

Numerical Analysis · Mathematics 2025-02-27 Junfeng Lu , Hao Wang , Yangshuai Wang

We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Near the defect core the method employs a potential-based atomistic model, which enables accurate simulation of the…

Numerical Analysis · Mathematics 2014-11-17 Derek Olson , Alexander V. Shapeev , Pavel Bochev , Mitchell Luskin

We formulate a patch test consistent atomistic-to-continuum coupling (a/c) scheme that employs a second-order (potentially higher-order) finite element method in the material bulk. We prove a sharp error estimate in the energy-norm, which…

Numerical Analysis · Mathematics 2016-07-21 A. S. Dedner , C. Ortner , H. Wu

We present a comprehensive error analysis of two prototypical atomistic-to-continuum coupling methods of blending type: the energy-based and the force-based quasicontinuum methods. Our results are valid in two and three dimensions, for…

Numerical Analysis · Mathematics 2014-04-22 Xingjie Helen Li , Christoph Ortner , Alexander V. Shapeev , Brian Van Koten

Time-domain Boundary Element Methods (BEM) have been successfully used in acoustics, optics and elastodynamics to solve transient problems numerically. However, the storage requirements are immense, since the fully populated system matrices…

Numerical Analysis · Mathematics 2020-06-11 Daniel Seibel

The boundary element method (BEM) enables solving three-dimensional electromagnetic problems using a two-dimensional surface mesh, making it appealing for applications ranging from electrical interconnect analysis to the design of…

Numerical Analysis · Mathematics 2021-12-14 Shashwat Sharma , Piero Triverio

A novel multi-scale finite element formulation for contact mechanics between nominally smooth but microscopically rough surfaces is herein proposed. The approach integrates the interface finite element method (FEM) for modelling interface…

Computational Engineering, Finance, and Science · Computer Science 2025-04-03 Jacopo Bonari , Maria R. Marulli , Nora Hagmeyer , Matthias Mayr , Alexander Popp , Marco Paggi

We present a coupling of the Finite Element and the Boundary Element Method in an isogeometric framework to approximate either two-dimensional Laplace interface problems or boundary value problems consisting in two disjoint domains. We…

Numerical Analysis · Mathematics 2020-07-24 Mehdi Elasmi , Christoph Erath , Stefan Kurz

For the solution of 2D exterior Dirichlet Poisson problems we propose the coupling of a Curved Virtual Element Method (CVEM) with a Boundary Element Method (BEM), by using decoupled approximation orders. We provide optimal convergence error…

Numerical Analysis · Mathematics 2022-03-28 Luca Desiderio , Silvia Falletta , Matteo Ferrari , Letizia Scuderi

Boundary element methods (BEM) reduce a partial differential equation in a domain to an integral equation on the domain's boundary. They are particularly attractive for solving problems on unbounded domains, but handling the dense matrices…

Numerical Analysis · Mathematics 2020-06-30 Steffen Börm

We present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the coupling of the atomistic and continuum models as a constrained optimization problem with virtual Dirichlet controls on the…

Numerical Analysis · Mathematics 2013-04-19 Derek Olson , Pavel Bochev , Mitchell Luskin , Alexander V. Shapeev

The boundary element method (BEM) is an efficient numerical method for simulating harmonic wave propagation. It uses boundary integral formulations of the Helmholtz equation at the interfaces of piecewise homogeneous domains. The…

Numerical Analysis · Mathematics 2022-11-01 Elwin van 't Wout , Seyyed R. Haqshenas , Pierre Gélat , Timo Betcke , Nader Saffari

This work presents a Boundary Element Method (BEM) formulation for contactless electromagnetic field assessments. The new scheme is based on a regularized BEM approach that requires the use of electric measurements only. The regularization…

Medical Physics · Physics 2017-03-08 Rajendra Mitharwal , Francesco P. Andriulli

The accurate electromagnetic modeling of both low- and high-frequency physics is crucial in the signal and power integrity analysis of electrical interconnects. The boundary element method (BEM) is appealing for lossy conductor modeling…

Computational Engineering, Finance, and Science · Computer Science 2022-08-31 Shashwat Sharma , Piero Triverio

Electrical machines commonly consist of moving and stationary parts. The field simulation of such devices can be very demanding if the underlying numerical scheme is solely based on a domain discretization, such as in case of the Finite…

Computational Engineering, Finance, and Science · Computer Science 2017-09-18 Lars Kielhorn , Thomas Rüberg , Jürgen Zechner

Slender beam-like structures frequently occur in engineering applications and often interact at discrete locations through joints or connectors. Accurate modeling of such interactions is particularly challenging when different numerical…

Computational Engineering, Finance, and Science · Computer Science 2026-04-13 Ivo Steinbrecher , Nora Hagmeyer , Christoph Meier , Alexander Popp
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