Papers

Coupling methods for continuum model with molecular model

Ted Belytschko and Shaoping Xiao


International Journal for Multiscale Computational Engineering, 1(1), 115-126

Abstract

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

This paper is available in acrobat form (15 pages, ~0.6 MB) .