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International Journal for Multiscale Computational Engineering

Published 6 issues per year

ISSN Print: 1543-1649

ISSN Online: 1940-4352

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ANALYSIS OF THE QUASI-NONLOCAL QUASICONTINUUM APPROXIMATION OF THE EMBEDDED ATOM MODEL

Volume 10, Issue 1, 2012, pp. 33-49
DOI: 10.1615/IntJMultCompEng.2011002514
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ABSTRACT

The quasi-nonlocal quasicontinuum method (QNL) is a consistent hybrid coupling method for atomistic and continuum models. Embedded atom models are empirical many-body potentials that are widely used for fcc metals such as copper and aluminum. In this paper, we consider the QNL method for EAM potentials and give a stability and error analysis for a chain with next-nearest-neighbor interactions. We identify conditions for the pair potential, electron density function, and embedding function so that the lattice stability of the atomistic and EAM-QNL models are asymptotically equal.

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CITED BY
  1. Wu Z.-B., Zeng X. C., Multiscale simulation of thin-film lubrication: Free-energy-corrected coarse graining, Physical Review E, 90, 3, 2014. Crossref

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