Molecular dynamics simulation of the slip systems in VN

Tao Fu, Xianghe Peng, Yinbo Zhao, Rong Sun, Deqiang Yin, Ning Hu, Zhongchang Wang

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)77831-77838
Number of pages8
JournalRSC Advances
Volume5
Issue number95
DOIs
Publication statusPublished - 2015 Sep 9

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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    Fu, T., Peng, X., Zhao, Y., Sun, R., Yin, D., Hu, N., & Wang, Z. (2015). Molecular dynamics simulation of the slip systems in VN. RSC Advances, 5(95), 77831-77838. https://doi.org/10.1039/c5ra15878h