Statistical coarse-graining of molecular dynamics into peridynamics.

Silling, Stewart Andrew ; Lehoucq, Richard B.

Sandia National Laboratories

关键词: 99 General And Miscellaneous//Mathematics, Computing, And Information Science;    Peridynamics;    Continuum Mechanics;    Dynamics Peridynamics;    Mass;   

DOI  :  10.2172/922771
RP-ID  :  SAND2007-6410
RP-ID  :  AC04-94AL85000
RP-ID  :  922771

美国|英语

来源: UNT Digital Library

【 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.