4.6 Article

Molecular dynamics simulation of the slip systems in VN

Journal

RSC ADVANCES
Volume 5, Issue 95, Pages 77831-77838

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c5ra15878h

Keywords

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Funding

  1. National Natural Science Foundation of China [11332013, 11272364]
  2. Chongqing Graduate Student Research Innovation Project [CYB15029]
  3. Scientific Research (B) [15H04114]
  4. Challenging Exploratory Research [15K14117]
  5. JSPS under Japan-China Scientific Cooperation Program
  6. CAS under Japan-China Scientific Cooperation Program
  7. Shorai Foundation for Science and Technology
  8. National Natural Science Foundation of Chongqing [cstc2015jcyjA50008]

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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.

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