Simulation of the Elastic and Ultimate Tensile Properties of Diamond, Graphene, Carbon Nanotubes, and Amorphous Carbon Using a Revised ReaxFF Parametrization

标题
Simulation of the Elastic and Ultimate Tensile Properties of Diamond, Graphene, Carbon Nanotubes, and Amorphous Carbon Using a Revised ReaxFF Parametrization
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 119, Issue 37, Pages 9710-9721
出版商
American Chemical Society (ACS)
发表日期
2015-08-28
DOI
10.1021/acs.jpca.5b05889

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