Stability of concentration-related self-interstitial atoms in fusion material tungsten

doi:10.1088/1674-1056/25/5/056102

Abstract Based on the density functional theory, we calculated the structures of the two main possible self-interstitial atoms (SIAs) as well as the migration energy of tungsten (W) atoms. It was found that the difference of the (110) and (111) formation energies is 0.05-0.3 eV. Further analysis indicated that the stability of SIAs is closely related to the concentration of the defect. When the concentration of the point defect is high, (110) SIAs are more likely to exist, (111) SIAs are the opposite. In addition, the vacancy migration probability and self-recovery zones for these SIAs were researched by making a detailed comparison. The calculation provided a new viewpoint about the stability of point defects for self-interstitial configurations and would benefit the understanding of the control mechanism of defect behavior for this novel fusion material.

Keywords: irradiation self-interstitial atoms fusion material tungsten

Received: 23 September 2015
Revised: 15 January 2016
Accepted manuscript online:

PACS:	61.80.-x	(Physical radiation effects, radiation damage)
	61.80.Az	(Theory and models of radiation effects)
	61.50.-f	(Structure of bulk crystals)
	61.50.Ah	(Theory of crystal structure, crystal symmetry; calculations and modeling)

Fund: Project supported by the Fundamental Research Funds for the Central Universities of Ministry of Education of China (Grant Nos. A0920502051411-5 and 2682014ZT30), the Program of International Science and Technology Cooperation, China (Grant No. 2013DFA51050), the National Magnetic Confinement Fusion Science Program, China (Grant Nos. 2011GB112001 and 2013GB110001), the National High Technology Research and Development Program of China (Grant No. 2014AA032701), the National Natural Science Foundation of China (Grant No. 11405138), the Southwestern Institute of Physics Funds, China, the Western Superconducting Technologies Company Limited, China, the Qingmiao Plan of Southwest Jiaotong University, China (Grant No. A0920502051517-6), and the China Postdoctoral Science Foundation (Grant No. 2014M560813).

Corresponding Authors: Min Pan, Zheng Huang
E-mail: mpan@home.swjtu.edu.cn;Zhhuang@home.swjtu.edu.cn

Cite this article:

Hong Zhang(张红), Shu-Long Wen(温述龙), Min Pan(潘敏), Zheng Huang(黄整), Yong Zhao(赵勇), Xiang Liu(刘翔), Ji-Ming Chen(谌继明) Stability of concentration-related self-interstitial atoms in fusion material tungsten 2016 Chin. Phys. B 25 056102

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Stability of concentration-related self-interstitial atoms in fusion material tungsten

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