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

    34 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

    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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