An Analysis of the Quasi-Nonlocal Quasicontinuum Approximation of the Embedded Atom Model

Details An Analysis of the Quasi-Nonlocal Quasicontinuum Approximation of the Embedded Atom Model An Analysis of the Quasi-Nonlocal Quasicontinuum Approximation of the Embedded Atom Model

2010-08-21

arxiv.org/abs/1008.3628v4

Mathematics

Numerical Analysis

20 pages, 0 figures, notation improved, accepted for publication in International Journal for Multiscale Computational Enginee

Scientific paper

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 we 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 the EAM-QNL models are asymptotically equal.

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