中国物理B ›› 2017, Vol. 26 ›› Issue (7): 76104-076104.doi: 10.1088/1674-1056/26/7/076104

• SPECIAL TOPIC—Magnetism, magnetic materials, and interdisciplinary research • 上一篇    下一篇

Electronic structure & yield strength prediction for dislocation–Mo complex in the γ phase of nickel-based superalloys

Feng-Hua Liu(刘凤华), Chong-Yu Wang(王崇愚)   

  1. 1 Central Iron and Steel Research Institute, Beijing 100081, China;
    2 Department of Physics, Tsinghua University, Beijing 100084, China
  • 收稿日期:2017-05-08 修回日期:2017-06-08 出版日期:2017-07-05 发布日期:2017-07-05
  • 通讯作者: Chong-Yu Wang E-mail:cywang@mail.tsinghua.edu.cn
  • 基金资助:

    Project supported by Beijing Municipality Science&Technology Commission,China (Grant No.D161100002416001).

Electronic structure & yield strength prediction for dislocation–Mo complex in the γ phase of nickel-based superalloys

Feng-Hua Liu(刘凤华)1, Chong-Yu Wang(王崇愚)1,2   

  1. 1 Central Iron and Steel Research Institute, Beijing 100081, China;
    2 Department of Physics, Tsinghua University, Beijing 100084, China
  • Received:2017-05-08 Revised:2017-06-08 Online:2017-07-05 Published:2017-07-05
  • Contact: Chong-Yu Wang E-mail:cywang@mail.tsinghua.edu.cn
  • Supported by:

    Project supported by Beijing Municipality Science&Technology Commission,China (Grant No.D161100002416001).

摘要:

Molybenum's effects when added in the γ phase of nickel-based superalloys were studied using the lattice Green's function multiscale method. The electronic structure of the dislocation–Mo complex was analyzed and hybridization was found to contribute to the strengthening. Moreover, by combining the interaction energies calculated from two scales, the yield stress was theoretically predicted at 0 K and finite temperature.

关键词: electronic structure, dislocation–, Mo complex, critical resolved shear stress

Abstract:

Molybenum's effects when added in the γ phase of nickel-based superalloys were studied using the lattice Green's function multiscale method. The electronic structure of the dislocation–Mo complex was analyzed and hybridization was found to contribute to the strengthening. Moreover, by combining the interaction energies calculated from two scales, the yield stress was theoretically predicted at 0 K and finite temperature.

Key words: electronic structure, dislocation–, Mo complex, critical resolved shear stress

中图分类号:  (Interaction between different crystal defects; gettering effect)

  • 61.72.Yx
61.82.Bg (Metals and alloys) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)