An atomistic/continuum coupling method using enriched bases
Numerical Analysis
2015-05-11 v2
Abstract
A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In this paper, a new method is proposed to suppress the error at the interface, and as a consequence, the overall accuracy is improved. The method is motivated by formulating the molecular mechanics model as a two-stage minimization problem. In particular, it is demonstrated that the error at the interface can be considerably reduced when new basis functions are introduced in a Galerkin projection formalism. The improvement of the accuracy is illustrated by two examples. Further, the comparison to some quasicontinuum-type methods is provided.
Cite
@article{arxiv.1410.2866,
title = {An atomistic/continuum coupling method using enriched bases},
author = {Jingrun Chen and Carlos J. García-Cervera and Xiantao Li},
journal= {arXiv preprint arXiv:1410.2866},
year = {2015}
}