Implementing peridynamics within a molecular dynamics code

被引:254
作者
Parks, Michael L. [1 ]
Lehoucq, Richard B. [1 ]
Plimpton, Steven J. [1 ]
Silling, Stewart A. [1 ]
机构
[1] Sandia Natl Labs, Albuquerque, NM 87185 USA
关键词
Multiscale; Molecular dynamics; Peridynamics; Continuum mechanics; Parallel computing;
D O I
10.1016/j.cpc.2008.06.011
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties.]it 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.
引用
收藏
页码:777 / 783
页数:7
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