Effects of twin boundaries in vanadium nitride films subjected to tensile/compressive deformations

Tao Fu, Xianghe Peng, Cheng Huang, Yinbo Zhao, Shayuan Weng, Xiang Chen, Ning Hu

研究成果: Article査読

18 被引用数 (Scopus)

抄録

Two kinds of atoms can serve as the twin boundary (TB) atoms in a transition metal nitride (TMN). In this work, we performed molecular dynamics (MD) simulations for the responses of vanadium nitride (VN) films with different kinds of TB atoms (V or N) subjected to uniaxial tensile/compressive deformations, to investigate their effects and the tensile-compressive asymmetry. In compressive deformation, the migration of TBs with V atoms to that with N atoms contributes to softening, while the pile-up of dislocations at TBs contributes to strengthening. During tension, fractures occur at the TBs without distinct nucleation of dislocations, the nature of the brittle fracture, which does not result in any improvement of fracture toughness and critical stress. Different frictional effects, cutoff radii, asymmetrical tensile and compressive nature of the interatomic potential and different deformation mechanisms are responsible for the tension-compression asymmetry in VN.

本文言語English
ページ(範囲)262-270
ページ数9
ジャーナルApplied Surface Science
426
DOI
出版ステータスPublished - 2017 12月 31
外部発表はい

ASJC Scopus subject areas

  • 化学 (全般)
  • 凝縮系物理学
  • 物理学および天文学(全般)
  • 表面および界面
  • 表面、皮膜および薄膜

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