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International Journal for Multiscale Computational Engineering
IF: 1.016 5-Year IF: 1.194 SJR: 0.554 SNIP: 0.82 CiteScore™: 2

ISSN Print: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v1.i1.100
12 pages

Coupling Methods for Continuum Model with Molecular Model

Ted Belytschko
Department of Mechanical Engineering, Northwestern University, Evanston, Illinois, USA
S. P. Xiao
Department of Mechanical Engineering, 2145 N, Sheridan Rd., Northwestern University, Evanston, IL 60208

ABSTRACT

This article develops coupling methods for continuum models with molecular models. Two methods are studied here: an overlapping domain decomposition method, which has overlapping domain; and an edge-to-edge decomposition method, which has an interface between the two models. These two methods enforce compatibility on the overlapping domain or interface nodes/atoms by the Lagrange multiplier method or the augmented Lagrangian method.


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