Force-Based Atomistic/Continuum Blending for Multilattices
Numerical Analysis
2017-11-30 v2
Abstract
We formulate the blended force-based quasicontinuum (BQCF) method for multilattices and develop rigorous error estimates in terms of the approximation parameters: atomistic region, blending region and continuum finite element mesh. Balancing the approximation parameters yields a convergent atomistic/continuum multiscale method for multilattices with point defects, including a rigorous convergence rate in terms of the computational cost. The analysis is illustrated with numerical results for a Stone--Wales defect in graphene.
Keywords
Cite
@article{arxiv.1611.05935,
title = {Force-Based Atomistic/Continuum Blending for Multilattices},
author = {Derek Olson and Xingjie Li and Christoph Ortner and Brian Van Koten},
journal= {arXiv preprint arXiv:1611.05935},
year = {2017}
}
Comments
Fixed typos and added additional details in section 3.3 and explanations in sections 4.5 and 4.6