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International Journal for Multiscale Computational Engineering

Erscheint 6 Ausgaben pro Jahr

ISSN Druckformat: 1543-1649

ISSN Online: 1940-4352

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Indexed in

Coupling Methods for Continuum Model with Molecular Model

Volumen 1, Ausgabe 1, 2003, 12 pages
DOI: 10.1615/IntJMultCompEng.v1.i1.100
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ABSTRAKT

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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