Molecular dynamics simulation of the slip systems in VN

被引：31

作者：

Fu, Tao ^{[1
]}

Peng, Xianghe ^{[1
,2
]}

Zhao, Yinbo ^{[1
]}

Sun, Rong ^{[3
]}

Yin, Deqiang ^{[4
]}

Hu, Ning ^{[1
]}

Wang, Zhongchang ^{[3
]}

机构：

[1] Chongqing Univ, Coll Aerosp Engn, Chongqing 400044, Peoples R China

[2] Chongqing Univ, State Key Lab Coal Mine Disaster Dynam & Control, Chongqing 400044, Peoples R China

[3] Tohoku Univ, Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan

[4] Sichuan Univ, Sch Mfg Sci & Engn, Chengdu 610065, Peoples R China

来源：

RSC ADVANCES | 2015年 / 5卷 / 95期

基金：

中国国家自然科学基金;

关键词：

STACKING-FAULT; DISLOCATION CORE; TIN/VN INTERFACE; SINGLE-CRYSTAL; FCC METALS; POTENTIALS; ENERGIES; GROWTH;

D O I：

10.1039/c5ra15878h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We calculate the generalized stacking fault (GSF) energies along different slip directions in various slip planes of VN, aimed to probe the mechanical properties of different slip systems of VN. We find that the < 110 > directions on various slip planes exhibit the lowest maximum GSF energies among the possible slip directions, and the sequence of the maximum GSF energies along the < 110 > directions on the possible slip planes is W{110} < W{111} < W{001}, implying that the sequence of the slip planes in VN is {110}, {111} and {001}. We also find that on the {111} planes, the slip can form two Shockley partial dislocations oriented by < 112 >, resulting in a perfect dislocation on the < 110 > directions. The predicted sequence of the slip planes during indentation agrees with that assessed by the maximum GSF energies.

引用

页码：77831 / 77838

页数：8

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