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International Journal for Multiscale Computational Engineering
Fator do impacto: 1.016 FI de cinco anos: 1.194 SJR: 0.554 SNIP: 0.68 CiteScore™: 1.18

ISSN Imprimir: 1543-1649
ISSN On-line: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v1.i1.60
16 pages

Direct Coupling of Atomistic and Continuum Mechanics in Computational Materials Science

Ronald E. Miller
Department of Mechanical and Aerospace Engineering, Carleton University, Ottawa, ON, Canada, K1S 5B6


There has been a substantial e. ort in the development of multiscale computer simulation techniques for computational materials science. One class of such models involves the direct coupling between an atomistic region and a continuum region modeled by finite elements. This review discusses the developments in this direction and examines four of these methods in some detail and using a common language. The goal of the review is twofold. First, it is an attempt at a common description of the features of the four methods, to provide practitioners in the field with a better understanding of the similarities and differences between the models. It is the hope that this may direct future developments that unite the strengths of the different approaches. Second, the review provides researchers outside the field with an introduction to the challenges associated with atomistic– continuum coupling.