2007 NSTI Nanotechnology Conference and Trade Show - Nanotech 2007 - 10th Annual

Bridging Domain Multiscale Method

S.P. Xiao and W.Y. Hou
The University of Iowa, US

Keywords:
multiscale, bridging domain, composite

Abstract:
A bridging domain method for coupling continuum models with molecular models is described. In this method, the continuum and molecular domains are overlapped in a bridging subdomain, where the Hamiltonian is taken to be a linear combination of the continuum and molecular Hamiltonians. We enforce the compatibility in the bridging domain by Lagrange multipliers or by the augmented Lagrangian method. An explicit algorithm for dynamic solutions is developed. In this paper, the bridging domain multiscale method is employed to study the mechanics of nanotube-based composites.

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