Copyright © 2008 Elsevier B.V. All rights reserved.
Implementing peridynamics within a molecular dynamics code
Received 23 January 2008;
Abstract
Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties. In this context, nonlocal means that continuum points separated by a finite distance may exert force upon each other. A meshless method results when PD is discretized with material behavior approximated as a collection of interacting particles. This paper describes how PD can be implemented within a molecular dynamics (MD) framework, and provides details of an efficient implementation. This adds a computational mechanics capability to an MD code, enabling simulations at mesoscopic or even macroscopic length and time scales.
Keywords: Multiscale; Molecular dynamics; Peridynamics; Continuum mechanics; Parallel computing
PACS classification codes: 02.70.Ns; 02.70.Rr; 05.10.-a; 31.15.Qg; 62.20.Dc; 63.20.-e
Article Outline
Corresponding author.1 Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000.






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