The bonding variation of γ-TiAl during deformation

Jinkai Wang, Xin Cui, Jianxin Huang, Hao Wang, Zhanpeng Lu, Yanlin He, Ying Chen

研究成果: Article査読

抄録

To improve the ductility of γ-TiAl, the complicated interaction of Ti-Al chemical bonds, Al-Al covalent bonds, and Ti metallic bonds in the process of deformation should be evaluated. The electronic structure variation of γ-TiAl during deformation is investigated using first-principles calculation with the local energy schemes. The relative influence of these bonds on atomic stability is for the first time qualitatively evaluated by the combination of local energy schemes and Electron Localization Function (ELF) analysis. The discrepant influence pattern of some alloy elements on ductility is discussed based on the bonding analysis.

本文言語English
ページ(範囲)3905-3914
ページ数10
ジャーナルPhysical Chemistry Chemical Physics
23
6
DOI
出版ステータスPublished - 2021 2 14

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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