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Peridynamic State-Based Models and the Embedded-Atom Model

Published online by Cambridge University Press:  03 June 2015

Pablo Seleson ,
Michael L. Parks  and
Max Gunzburger
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
Email:mlparks@sandia.gov
Email:gunzburg@fsu.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.

Keywords

45K0570F1074H1546.15.-x02.30.Rz46.40.Cd34.20.CfPeridynamicsmultibody potentialsembedded-atommolecular dynamics
Type
Research Article
Information
Communications in Computational Physics , Volume 15 , Issue 1 , January 2014 , pp. 179 - 205
Copyright
Copyright © Global Science Press Limited 2014

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