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

doi:10.1088/1674-1056/21/2/026104

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.

Keywords: molecular dynamic H impurity misfit dislocation Ni-based superalloy

Received: 27 October 2011
Revised: 17 November 2011
Accepted manuscript online:

PACS:	61.72.Lk	(Linear defects: dislocations, disclinations)
	02.70.Ns	(Molecular dynamics and particle methods)
	8540.Ry

Fund: Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

Corresponding Authors: Yu Tao,ytao012345@163.com
E-mail: ytao012345@163.com

Cite this article:

Yu Tao(于涛), Xie Hong-Xian(谢红献), and Wang Chong-Yu(王崇愚) Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations 2012 Chin. Phys. B 21 026104

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