Title

Quadrature-Rule Type Approximations to the Quasicontinuum Method for Long-Range Interatomic Interactions

Abstract

A quadrature-rule type method is presented to approximate the quasicontinuum method for atomistic mechanics. For both the short-range and long-range interaction cases, the complexity of this method depends on the number of representative particles but not on the total number of particles. Simple analysis and numerical experiments are provided to illustrate the accuracy and performance of the method. It is shown that, for the same accuracy, the quadrature-rule type method is much less costly than the quasicontinuum method.

Department(s)

Mathematics and Statistics

Keywords and Phrases

Atomistic models; Quasicontinuum method; Quadrature-rule type approximation; Long-range interactions; Coulomb potential

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2010 Elsevier, All rights reserved.


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