Statistical coarse-graining of molecular dynamics into peridynamics.

Silling, Stewart Andrew ; Lehoucq, Richard B.

关键词: MOLECULAR DYNAMICS METHOD;    DISPERSION RELATIONS;    SPRINGS;    MASS;    DYNAMICS Peridynamics;    Continuum mechanics;    Molecular dynamics-Computer simulation.;   

DOI  :  10.2172/922771
RP-ID  :  SAND2007-6410
PID  :  OSTI ID: 922771
Others  :  TRN: US200806%%254

学科分类：社会科学、人文和艺术（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

This paper describes an elegant statistical coarse-graining of molecular dynamics at finite temperature into peridynamics, a continuum theory. Peridynamics is an efficient alternative to molecular dynamics enabling dynamics at larger length and time scales. In direct analogy with molecular dynamics, peridynamics uses a nonlocal model of force and does not employ stress/strain relationships germane to classical continuum mechanics. In contrast with classical continuum mechanics, the peridynamic representation of a system of linear springs and masses is shown to have the same dispersion relation as the original spring-mass system.