ISSN: 1543-1649 Print

ISSN: 1940-4352 Online

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Year 2003, Volume 1 / Issue 1

DOI: 10.1615/IntJMultCompEng.v1.i1

Pages: 134

DOI: 10.1615/IntJMultCompEng.v1.i1.60

Article price - $35.00

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.

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