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Atomistic Simulation of He Clustering and Defects Produced in Ni
作者姓名:刘提将  王月霞  潘正瑛  姜晓梅  周亮  朱靖
作者单位:[1]Institute of Modern Physics, Fudan University, Shanghai 200433 [2]State Key Laboratory for Advanced Photonic Materials and Devices, Fudan University, Shanghai 200433
基金项目:Supported by the National Natural Science Foundation of China under Grant No 10376008.
摘    要:Using the molecular dynamics method, the stability of small He-vacancy clusters is studied under the condition of the high He and low vacancy densities. The result shows that there is a competition between He atoms detrapped and self-interstitial atoms (SIAs) emitted during the clustering of He atoms. When the He number is above a critical value of 9, the SIA emission is predominant. The SIA emission can result in deep capture of He atoms since the binding energy of He to a He-vacancy cluster is increased with the number of SIAs created. The cluster thus grows up. In addition, more SIAs are created when the temperature is elevated. The average volume of a He atom is increased. The cluster expansion takes place at high temperature.

关 键 词:原子模拟  氦聚类  缺陷    分子动力学
收稿时间:2006-01-23
修稿时间:2006-01-23

Atomistic Simulation of He Clustering and Defects Produced in Ni
LIU Ti-Jiang, WANG Yue-Xia, PAN Zheng-Ying, JIANG Xiao-Mei, ZHOU-Liang, ZHU Jing.Atomistic Simulation of He Clustering and Defects Produced in Ni[J].Chinese Physics Letters,2006,23(5):1261-1264.
Authors:LIU Ti-Jiang  WANG Yue-Xia  PAN Zheng-Ying  JIANG Xiao-Mei  ZHOU-Liang  ZHU Jing
Institution:1Institute of Modern Physics, Fudan University, Shanghai 200433 ;2. State Key Laboratory for Advanced Photonic Materials and Devices, Fudan University, Shanghai 200433
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