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arXiv · 1611.05935

Force-Based Atomistic/Continuum Blending for Multilattices

Derek Olson·Xingjie Li·Christoph Ortner·Brian Van Koten
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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.

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Derek Olson, Xingjie Li, Christoph Ortner, Brian Van Koten. 2016-11-18. Force-Based Atomistic/Continuum Blending for Multilattices. https://arxiv.org/abs/1611.05935

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