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International Journal for Multiscale Computational Engineering

ISSN for PRINT: 1543-1649

Institutional price:	$747.00
Issues per year:	6

Best Paper Award Selection - Editorial Board Site

2003, Volume1

134 pages

DOI: 10.1615/IntJMultCompEng.v1.i1

Issue price - $178.00

Coupling Methods for Continuum Model with Molecular Model

Ted Belytschko, Professor
Dept. of Mechanical Engineering 2145 Sheridan Rd, Technological Institute Northwestern University, Evanston IL 60208, 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.