Continuum Mechanics as a Computable Coarse-Grained Picture of Molecular Dynamics

被引:0
作者
Antonio DiCarlo
机构
[1] CECAM–IT–SIMUL Node,
来源
Journal of Elasticity | 2019年 / 135卷
关键词
Molecular dynamics; Continuum mechanics; Space-time averaging; Streaming velocity; Thermal velocity; Stress; Hierarchical multiscale modelling; 82C22; 82C21; 74A25; 74A10; 82C80;
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学科分类号
摘要
In this paper, I determine the minimum amount of information that continuum mechanics needs to obtain from Newtonian molecular dynamics, in order to avail itself of stress-strain responses uniformly valid for a vast range of macroscopic regimes, being quantitatively determined by microscopic physical properties. Described from the opposite, bottom-up point of view, the procedure I put forward uses the basic kinematic and dynamical machinery of continuum mechanics to upscale molecular dynamics to the macroscopic level in a practicable and efficient way.
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页码:183 / 235
页数:52
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