中国物理B ›› 2012, Vol. 21 ›› Issue (2): 26104-026104.doi: 10.1088/1674-1056/21/2/026104

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于涛1,谢红献1 3,王崇愚1 2   

  • 收稿日期:2011-10-27 修回日期:2011-11-17 出版日期:2012-01-30 发布日期:2012-01-30
  • 通讯作者: 于涛,ytao012345@163.com E-mail:ytao012345@163.com

Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations

Yu Tao(于涛)a)†, Xie Hong-Xian(谢红献)a)c), and Wang Chong-Yu(王崇愚)a)b)   

  1. a. Central Iron and Steel Research Institute, Beijing 100081, China;
    b. Department of Physics, Tsinghua University, Beijing 100084, China;
    c. School of Mechanical Engineering, Hebei University of Technology, Tianjin 300132, China
  • Received:2011-10-27 Revised:2011-11-17 Online:2012-01-30 Published:2012-01-30
  • Contact: Yu Tao,ytao012345@163.com E-mail:ytao012345@163.com
  • Supported by:
    Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

Abstract: The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni3Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the $\gamma/\gamma'$ interface and Ni3Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.

Key words: molecular dynamic, H impurity, misfit dislocation, Ni-based superalloy

中图分类号:  (Linear defects: dislocations, disclinations)

  • 61.72.Lk
02.70.Ns (Molecular dynamics and particle methods)