Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …

A partitioned-domain multiscale method is a computational framework in which certain key
regions are modeled atomistically while most of the domain is treated with an approximate …

In this paper, the molecular dynamics (MD) simulation technique is described in the context
of structural mechanics applications, providing a fundamental understanding of the atomistic …

Composite materials display different properties resulting from the interplay at various time
and length scales. The presence of materials in form of fillers other than matrix demand a …

Abstract Local-to-nonlocal (LtN) coupling refers to a class of methods aimed at combining
nonlocal and local modeling descriptions of a given system into a unified coupled …

Atomistic-to-continuum (a/c) coupling methods are a class of computational multiscale
schemes that combine the accuracy of atomistic models with the efficiency of continuum …

In this paper, we present a framework for the simulation of electronic devices based on a
multiscale and multiphysics approach. A formal description is provided that includes both …

This contribution presents a novel quasicontinuum (QC) approach aiming at a seamless
transition from the atomistic to the continuum description of crystalline solids at zero …

Numerical simulations of crystal defects are necessarily restricted to finite computational
domains, supplying artificial boundary conditions that emulate the effect of embedding the …

This paper addresses the problem of consistent energy-based coupling of atomistic and
continuum models of materials, limited to zero-temperature statics of simple crystals. It has …