Effect of tungsten on the vacancy behaviors in Ta–W alloys from first-principles calculations
钨对Ta-W合金空位行为的第一性原理计算
作者: Yini LvKaige HuZheng HuangZelin CaoShulong WenYong ZhaoMin PanHuiqiu Deng
作者单位: 1School of Physical Science and Technology, Superconductivity and New Energy R&D Center, Southwest Jiaotong University, Chengdu, Sichuan, 610031, China
2School of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou, Guangdong, 510006, China
3Superconductivity and New Energy R&D Center, Key Laboratory of Advanced Technology of Materials (Ministry of Education), Southwest Jiaotong University, Chengdu, Sichuan, 610031, China
4School of Physics and Electronics, Hunan University, Changsha, Hunan, 410082, China
刊名: Solid State Communications, 2020, Vol.306
来源数据库: Elsevier Journal
DOI: 10.1016/j.ssc.2019.113767
关键词: TungstenVacancyTa–W alloysFirst-principles calculation
英文摘要: Abstract(#br)Alloying elements play an important role in the design of plasma facing materials with good comprehensive properties. Based on first-principles calculations, the stability of alloying element W and its interaction with vacancy defects in Ta–W alloys have been studied. The results show that W tends to distribute dispersedly in Ta lattice, and is not likely to form precipitation even with the coexistence of vacancy. The aggregation behaviors of W and vacancy can be affected by their concentration competition. The increase of W atoms has a negative effect on the vacancy clustering, as well as delays the vacancy nucleation process, which is favorable to the recovery of point defects. Our calculations are in consistent with the defect evolution observed in irradiation experiments...
全文获取路径: Elsevier  (合作)
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影响因子:1.534 (2012)

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关键词翻译
关键词翻译
  • tungsten 
  • vacancy 空位
  • alloys 多组分胶
  • first 第一