Analysis of the quasi-nonlocal quasicontinuum approximation of the embedded atom model

Xingjie Helen Li, Mitchell Luskin

Research output: Contribution to journalArticle

5 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)33-49
Number of pages17
JournalInternational Journal for Multiscale Computational Engineering
Volume10
Issue number1
StatePublished - May 18 2012

Keywords

  • Atomistic to continuum
  • Embedded atom model
  • Error analysis
  • Quasi-Nonlocal
  • Quasicontinuum

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