期刊
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
卷 49, 期 12, 页码 1337-1349出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijengsci.2011.03.018
关键词
Atomistic model; Coarse-graining; Statistical mechanics; Lattice dynamics
资金
- National Science Foundation [CMMI-0758265, CMMI-0824688, CMMI-0855795]
- DARPA [N66001-10-1-4018]
- United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [758265, 0855795] Funding Source: National Science Foundation
This paper reviews classical theories of coarse-graining and gives a short introduction to representative coarse-grained atomistic models that were developed based on structure reduction, an assumption of homogenous deformation, and field representation. The applicability and limitations of these coarse-grained models are analyzed on the basis of their theoretical frameworks as well as the coarse-graining methods they employ. (C) 2011 Elsevier Ltd. All rights reserved.
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