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Copper Nanobelt Reorientation by Molecular Dynamics Simulation
作者姓名:沈敏  魏合林  王键  刘祖黎
作者单位:[1]Department of Physics, Huazhong University of Science and Technology, Wuhan 430074 [2]Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180, USA
基金项目:Supported by the National Natural Science Foundation of China under Grant Nos 10574047 and 20490210.
摘    要:Atomic simulations using embedded atom method (EAM) are performed for Cu (100) nanobelts to study the structural and mechanical behaviour. Cu (100) nanobelts are along001] taken as the z-axis and have a rectangular cross section in the x - y plane, with 100] and 010] taken as x and y axes. The periodic boundary is used along the z-axis to simulate an infinitely long nanobelt, and other surfaces are free. The simulations are carried out under the mechanical loading with an elongation strain rate of 8.0×10^8 s^-1 along the z-axis. The results show that the nanobelt undergoes a transition from the initial structure with a (100) axis and {100} lateral surfaces to a new structure with the (112) as the z-axis and the lateral surfaces are {111} and {110} respectively, instead of the original {100} surfaces. The mechanism of the structural transition is ascribed to the dislocation propagation through the nanobelt under the external stresses.

关 键 词:原子物理  植入原子法  纳米带  周期边界
收稿时间:2006-06-13
修稿时间:2006-06-13

Copper Nanobelt Reorientation by Molecular Dynamics Simulation
SHEN Min, WEI He-Lin, WANG Jian, LIU Zu-Li.Copper Nanobelt Reorientation by Molecular Dynamics Simulation[J].Chinese Physics Letters,2006,23(10):2721-2724.
Authors:SHEN Min  WEI He-Lin  WANG Jian  LIU Zu-Li
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