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Home Journals International Journal for Multiscale Computational Engineering
Volume 1, 2003 Issue 1 Coupling Methods for Continuum Model with Molecular Model
International Journal for Multiscale Computational Engineering
Chief-in-Editor: Jacob Fish (open in a new tab)
Associate Editors: Somnath Ghosh (open in a new tab) Arif Masud (open in a new
tab) Klaus Hackl (open in a new tab) Karel Matous (open in a new tab) Thomas
J.R. Hughes (open in a new tab) Caglar Oskay (open in a new tab) Tamar Schlick
(open in a new tab)
Published 6 issues per year
ISSN Print: 1543-1649
ISSN Online: 1940-4352
IF: 1.4 5-Year IF: 1.1 Immediacy Index: 0.6 Eigenfactor: 0.00035 JCI: 0.63 SJR:
0.383 SNIP: 0.619 CiteScore™:: 3.4 H-Index: 33
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COUPLING METHODS FOR CONTINUUM MODEL WITH MOLECULAR MODEL
Volume 1, Issue 1, 2003, 12 pages
DOI: 10.1615/IntJMultCompEng.v1.i1.100
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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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