Effect of Strain Field on Threshold Displacement Energy of Tungsten Studied by Molecular Dynamics Simulation  

作　　者：王栋 高宁 W.Setyawan R.J.Kurtz 王志光 高星 何文豪 庞立龙 

机构地区：[1]Institute of Modern Physics,Chinese Academy of Sciences [2]University of Chinese Academy of Sciences [3]Pacific Northwest National Laboratory

出　　处：《Chinese Physics Letters》2016年第9期86-90,共5页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grant Nos 11375242,91026002,91426301 and 11405231;the Strategic Priority Research Program of the Chinese Academy of Sciences under Grant No XDA03010301;the support of the Office of Fusion Energy Sciences,U.S.Department of Energy under Contract DE-AC05-76RL01830

摘　　要：The influence of strain field on defect formation energy and threshold displacement energy （Ed） in body-centered cubic tungsten （W） is studied with molecular dynamics simulation. Two different W potentials （Fikar and Juslin） are compared and the results indicate that the connection distance and selected function linking the short-range and long-range portions of the potentials affect the threshold displacement energy and its direction-specific values. The minimum Ed direction calculated with the Fikar potential is （100） and with the Juslin potential is （111）. Nevertheless, the most stable seff-interstitial configuration is found to be a （111）-crowdion for both the potentials. This stable configuration does not change with the applied strain. Varying the strain from compression to tension increases the vacancy formation energy while decreases the self-interstitial formation energy. The formation energy of a seff-interstitial changes more significantly than a vacancy such that Ed decreases with the applied hydrostatic strain from compression to tension.The influence of strain field on defect formation energy and threshold displacement energy （Ed） in body-centered cubic tungsten （W） is studied with molecular dynamics simulation. Two different W potentials （Fikar and Juslin） are compared and the results indicate that the connection distance and selected function linking the short-range and long-range portions of the potentials affect the threshold displacement energy and its direction-specific values. The minimum Ed direction calculated with the Fikar potential is （100） and with the Juslin potential is （111）. Nevertheless, the most stable seff-interstitial configuration is found to be a （111）-crowdion for both the potentials. This stable configuration does not change with the applied strain. Varying the strain from compression to tension increases the vacancy formation energy while decreases the self-interstitial formation energy. The formation energy of a seff-interstitial changes more significantly than a vacancy such that Ed decreases with the applied hydrostatic strain from compression to tension.

关 键 词：of by in for is that 

分 类 号：TL627[核科学技术—核技术及应用]