Theory-based Benchmarking of the Blended Force-Based Quasicontinuum Method
Numerical Analysis
2015-06-15 v2 Materials Science
Abstract
We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.
Keywords
Cite
@article{arxiv.1304.1368,
title = {Theory-based Benchmarking of the Blended Force-Based Quasicontinuum Method},
author = {Xingjie Helen Li and Mitchell Luskin and Christoph Ortner and Alexander V. Shapeev},
journal= {arXiv preprint arXiv:1304.1368},
year = {2015}
}
Comments
25 pages, color figures; some numerical experiments re-done