中国物理B ›› 2016, Vol. 25 ›› Issue (5): 56102-056102.doi: 10.1088/1674-1056/25/5/056102

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

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

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)   

  1. 1. Key Laboratory of Advanced Technology of Materials, Superconductivity and New Energy R&D Center, Southwest JiaoTong University, Chengdu 610031, China;
    2. Fusion Science of Southwestern Institute of Physics, Chengdu 610041, China;
    3. Western Superconducting Technologies Company Limited, Xi'an 710018, China
  • 收稿日期:2015-09-23 修回日期:2016-01-15 出版日期:2016-05-05 发布日期:2016-05-05
  • 通讯作者: Min Pan, Zheng Huang E-mail:mpan@home.swjtu.edu.cn;Zhhuang@home.swjtu.edu.cn
  • 基金资助:
    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).

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

Hong Zhang(张红)1, Shu-Long Wen(温述龙)1, Min Pan(潘敏)1,3, Zheng Huang(黄整)1, Yong Zhao(赵勇)1, Xiang Liu(刘翔)2, Ji-Ming Chen(谌继明)2   

  1. 1. Key Laboratory of Advanced Technology of Materials, Superconductivity and New Energy R&D Center, Southwest JiaoTong University, Chengdu 610031, China;
    2. Fusion Science of Southwestern Institute of Physics, Chengdu 610041, China;
    3. Western Superconducting Technologies Company Limited, Xi'an 710018, China
  • Received:2015-09-23 Revised:2016-01-15 Online:2016-05-05 Published:2016-05-05
  • Contact: Min Pan, Zheng Huang E-mail:mpan@home.swjtu.edu.cn;Zhhuang@home.swjtu.edu.cn
  • Supported by:
    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).

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摘要： 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.

关键词: irradiation, self-interstitial atoms, fusion material, tungsten

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.

Key words: irradiation, self-interstitial atoms, fusion material, tungsten

中图分类号:  (Physical radiation effects, radiation damage)

  • 61.80.-x
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)