Molecular Dynamics Simulation of Microstructure of Nanocrystalline Copper
WEN Yu-Hua, ZHOU Fu-Xin, LIU Yue-Wu
State Key LNM, Institute of Mechanics, Chinese Academy of
Sciences, Beijing 100080
Molecular Dynamics Simulation of Microstructure of Nanocrystalline Copper
WEN Yu-Hua; ZHOU Fu-Xin; LIU Yue-Wu
State Key LNM, Institute of Mechanics, Chinese Academy of
Sciences, Beijing 100080
关键词 ：
61.46.+w ,
61.82.Rx ,
31.15.Qg
Abstract ： The microstructure of computer generated nanocrystalline coppers is simulated by using molecular dynamics with Finnis-Sinclair potential, analysed by means of radial distribution functions, coordination number, atomic energy and local crystalline order. The influence of the grain size on the nanocrystalline structure is studied. The results reveal that as the grain size is reduced, the grain boundary shows no significant structural difference, but the grain interior becomes more disordered, and their structural difference diminishes gradually; however, the density and the atomic average energy of the grain boundary present different tendencies from those of the grain interior.
Key words ：
61.46.+w
61.82.Rx
31.15.Qg
出版日期: 2001-03-01
引用本文:
WEN Yu-Hua; ZHOU Fu-Xin; LIU Yue-Wu. Molecular Dynamics Simulation of Microstructure of Nanocrystalline Copper[J]. 中国物理快报, 2001, 18(3): 411-413.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2001/V18/I3/411
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