Implementing peridynamics within a molecular dynamics code

ML Parks and RB Lehoucq and SJ Plimpton and SA Silling, COMPUTER PHYSICS COMMUNICATIONS, 179, 777-783 (2008).

DOI: 10.1016/j.cpc.2008.06.011

Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material 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 in MD code, enabling simulations at mesoscopic or even macroscopic length and time scales. (C) 2008 Elsevier B.V. All rights reserved.

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