Abstract
We present a function space-oriented coupling approach for the multiscale simulation of non-linear processes in mechanics using finite elements and molecular dynamics concurrently. The key idea is to construct a transfer operator between the different scales on the basis of weighted local averaging instead of using point wise taken values. The local weight functions are constructed by assigning a partition of unity to the molecular degrees of freedom (Shepard's approach). This allows for decomposing the micro scale displacements into a low-frequency and a high-frequency part by means of a weighted L2-projection. Numerical experiments illustrating the stabilizing effect of our coupling approach are given.
Original language | English (US) |
---|---|
Pages (from-to) | 1517-1535 |
Number of pages | 19 |
Journal | International Journal for Numerical Methods in Engineering |
Volume | 79 |
Issue number | 12 |
DOIs | |
State | Published - Sep 17 2009 |
Keywords
- Molecular dynamics
- Mortar
- Multiscale
- Partition of unity method
- Weak coupling
ASJC Scopus subject areas
- Numerical Analysis
- General Engineering
- Applied Mathematics