Effect of Strain Field on Threshold Displacement Energy of Tungsten Studied by Molecular Dynamics Simulation
Effect of Strain Field on Threshold Displacement Energy of Tungsten Studied by Molecular Dynamics Simulation
复制标题
分子动力学模拟研究应变场对钨阈值位移能的影响
DOI：
10.1088/0256-307x/33/9/096102
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发表时间：
2016-09
期刊：
影响因子：
--
通讯作者：
Pang Li-Long
中科院分区：
文献类型：
--
作者：
Wang Dong;Gao Ning;Setyawan W.;Kurtz R. J.;Wang Zhi-Guang;Gao Xing;He Wen-Hao;Pang Li-Long
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 self-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 self-interstitial changes more significantly than a vacancy such that Ed decreases with the applied hydrostatic strain from compression to tension.
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影响因子：
3.1
作者：
Beeler, Benjamin;Asta, Mark;Gronbech-Jensen, Niels
通讯作者：
Gronbech-Jensen, Niels
影响因子：
3.7
作者：
Derlet, P. M.;Nguyen-Manh, D.;Dudarev, S. L.
通讯作者：
Dudarev, S. L.
影响因子：
3.7
作者：
Chen, Zhengzheng;Kioussis, Nicholas;Seif, Dariush
通讯作者：
Seif, Dariush
影响因子：
--
作者：
C. Erginsoy;G. Vineyard;A. Englert
通讯作者：
C. Erginsoy;G. Vineyard;A. Englert
DOI：
10.1016/j.nimb.2013.01.048
发表时间：
2013-05
影响因子：
1.3
作者：
S. Di;Z. Yao;M. Daymond;F. Gao
通讯作者：
S. Di;Z. Yao;M. Daymond;F. Gao