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Peridynamic State-Based Models and the Embedded-Atom Model

Published online by Cambridge University Press:  03 June 2015

Pablo Seleson*
Affiliation:
Institute for Computational Engineering and Sciences, 201 East 24th St, Stop C0200, Austin, Texas 78712-1229, USA
Michael L. Parks*
Affiliation:
Sandia National Laboratories, Computing Research Center, P.O. Box 5800, MS 1320, Albuquerque, NM 87185-1320, USA
Max Gunzburger*
Affiliation:
Department of Scientific Computing, 400 Dirac Science Library, Florida State University, Tallahassee, FL 32306-4120, USA
*
Corresponding author.Email:seleson@ices.utexas.edu
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Abstract

We investigate connections between nonlocal continuum models and molecular 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 material models, 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.

Type
Research Article
Copyright
Copyright © Global Science Press Limited 2014

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