Peridynamic state-based models and the embedded-atom model

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28 Scopus citations

Abstract

We investigate connections between nonlocal continuummodels andmolecular dynamics. A continuous upscaling of molecular dynamics models of the form of the embedded-atom model is presented, providing means for simulating molecular dynamics systems at greatly reduced cost. Results are presented for structured and structureless materialmodels, supported by computational experiments. The nonlocal continuum models are shown to be instances of the state-based peridynamics theory. Connections relating multibody peridynamic models and upscaled nonlocal continuum models are derived.

Original languageEnglish
Pages (from-to)179-205
Number of pages27
JournalCommunications in Computational Physics
Volume15
Issue number1
DOIs
StatePublished - Jan 2014
Externally publishedYes

Keywords

  • Embedded-atom
  • Molecular dynamics
  • Multibody potentials
  • Peridynamics

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