期刊
JOURNAL OF CHEMICAL PHYSICS
卷 134, 期 1, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3513365
关键词
-
资金
- US Department of Energy, Office of Advanced Scientific Computing [DE-FG02-02ER25535]
Coarse-grained models decrease the number of force sites and thus reduce computational requirements for molecular simulation. While these models are successful in describing structural properties, dynamic evolution is faster than the corresponding atomistic simulations or experiments. We consider coarse-grained models for four polymers and one polymer mixture, where accurate dynamics are obtained by scaling to match the mean-squared displacements of the corresponding atomistic descriptions. We show that the required scaling is dictated by local friction and that this scaling is only valid after the onset of continuous motion. (C) 2011 American Institute of Physics. [doi:10.1063/1.3513365]
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据