Molecular dynamics simulation of deformation twin in rocksalt vanadium nitride

Tao Fu, Xianghe Peng, Yinbo Zhao, Tengfei Li, Qibin Li, Zhongchang Wang

Research output: Contribution to journalArticlepeer-review

39 Citations (Scopus)

Abstract

We perform molecular dynamics simulation of nano-indentation with a cylindrical indenter to investigate the formation mechanism of deformation twin in vanadium nitride (VN) with a rocksalt structure. We find that the deformation twins occur during the loading stage, and subsequently conduct a systematic analysis of nucleation, propagation and thickening of a deformation twin. We find that the nucleation of a partial dislocation and its propagation to form a stacking fault are premise of deformation twin formation. The sequential nucleation and propagation of partial dislocation on adjacent parallel {111} planes are found to cause the thickening of the deformation twin. Moreover, the deformation twins can exist in VN at room temperature.

Original languageEnglish
Pages (from-to)128-133
Number of pages6
JournalJournal of Alloys and Compounds
Volume675
DOIs
Publication statusPublished - 2016 Aug 5
Externally publishedYes

Keywords

  • Deformation twin
  • Indentation
  • Molecular dynamics simulation
  • VN

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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