Atomistic Simulations of the Effect of Helium on the Dissociation of Screw Dislocations in Nickel

The interactions of He with dissociated screw dislocations in face-centered-cubic （fcc） Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation energies of interstitial He in and near Shockley partial cores are calculated. The res...

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Published inChinese physics letters Vol. 33; no. 2; pp. 62 - 66
Main Author 许健 王呈斌 张伟 任翠兰 龚恒风 怀平
Format Journal Article
LanguageEnglish
Published 01.02.2016
Subjects
原子模拟
相互作用
相对位置
离解作用
螺位错
镍
间隙原子
面心立方
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Summary:The interactions of He with dissociated screw dislocations in face-centered-cubic （fcc） Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation energies of interstitial He in and near Shockley partial cores are calculated. The results show that interstitial He atoms at tetrahedral sites in the perfect fee lattice and atoms occupying sites one plane above or below one of the two Shockley partial cores exhibit the strongest binding energy. The attractive or repulsive nature of the interaction between interstitial He and the screw dislocation depends on the relative position of He to these strong binding sites. In addition, the effect of He on the dissociation of screw dislocations are investigated. It is found that Fie atoms homogeneously distributed in the glide plane can reduce the stacking fault width.
Bibliography:11-1959/O4
The interactions of He with dissociated screw dislocations in face-centered-cubic （fcc） Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation energies of interstitial He in and near Shockley partial cores are calculated. The results show that interstitial He atoms at tetrahedral sites in the perfect fee lattice and atoms occupying sites one plane above or below one of the two Shockley partial cores exhibit the strongest binding energy. The attractive or repulsive nature of the interaction between interstitial He and the screw dislocation depends on the relative position of He to these strong binding sites. In addition, the effect of He on the dissociation of screw dislocations are investigated. It is found that Fie atoms homogeneously distributed in the glide plane can reduce the stacking fault width.
Jian Xu, Cheng-Bin Wang, Wei Zhang, Cui-Lan Ren, Heng-Feng Gong, Ping Huai（ 1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 2 University of Chinese Academy of Sciences, Beijing 100049 3 Key Laboratory of Interracial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800）
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/33/2/026102