Implementing peridynamics within a molecular dynamics code |
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Authors: | Michael L Parks Richard B Lehoucq Steven J Plimpton Stewart A Silling |
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Affiliation: | a Applied Mathematics and Applications, Sandia National Laboratories, P.O. Box 5800, MS 1320, Albuquerque, NM 87185, USA b Scalable Algorithms, Sandia National Laboratories, P.O. Box 5800, MS 1316, Albuquerque, NM 87185, USA c Multiscale Dynamic Materials Modeling, Sandia National Laboratories, P.O. Box 5800, MS 1322, Albuquerque, NM 87185, USA |
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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. |
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Keywords: | 02 70 Ns 02 70 Rr 05 10 -a 31 15 Qg 62 20 Dc 63 20 -e |
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