Atomistic Simulations of the Effect of Helium on the Dissociation of Screw Dislocations in Nickel

doi:10.1088/0256-307X/33/2/026102

Chin. Phys. Lett.

2016, Vol. 33

Issue (02): 026102 DOI: 10.1088/0256-307X/33/2/026102

CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES

Atomistic Simulations of the Effect of Helium on the Dissociation of Screw Dislocations in Nickel

Jian Xu^1,2, Cheng-Bin Wang^1,3, Wei Zhang^1,3, Cui-Lan Ren^1,3, Heng-Feng Gong¹, Ping Huai^1**

¹Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800
²University of Chinese Academy of Sciences, Beijing 100049
³Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800

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Jian Xu, Cheng-Bin Wang, Wei Zhang et al 2016 Chin. Phys. Lett. 33 026102

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Abstract The interactions of He with dissociated screw dislocations in face-centered-cubic (fcc) Ni are investigated by using molecular dynamics simulations based on an embedded-atom method model. The binding and formation energies of interstitial He in and near Shockley partial cores are calculated. The results show that interstitial He atoms at tetrahedral sites in the perfect fcc lattice and atoms occupying sites one plane above or below one of the two Shockley partial cores exhibit the strongest binding energy. The attractive or repulsive nature of the interaction between interstitial He and the screw dislocation depends on the relative position of He to these strong binding sites. In addition, the effect of He on the dissociation of screw dislocations are investigated. It is found that He atoms homogeneously distributed in the glide plane can reduce the stacking fault width.

Received: 30 September 2015 Published: 26 February 2016

PACS:	61.72.Yx	(Interaction between different crystal defects; gettering effect)
	61.72.Bb	(Theories and models of crystal defects)
	61.72.Lk	(Linear defects: dislocations, disclinations)
	61.72.Nn	(Stacking faults and other planar or extended defects)
	02.70.-c	(Computational techniques; simulations)

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	Jian Xu
	Cheng-Bin Wang
	Wei Zhang
	Cui-Lan Ren
	Heng-Feng Gong
	Ping Huai

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