Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy

doi:10.1016/j.jnucmat.2017.04.057

	Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy
	Yin, W; Wang BT(王宝田); Zhao ZF(赵宗方); Wang, BT; Zhao, ZF; Jia, XJ; Yu, QZ; Ren, F; Yin W(殷雯); Ren F(任飞)
刊名	JOURNAL OF NUCLEAR MATERIALS
	2017
卷号	491 页码:206-212
关键词	Hydrogen isotopes Tungsten-rhenium alloy Solution and diffusion First-principle calculations
ISSN号	0022-3115
DOI	10.1016/j.jnucmat.2017.04.057
文献子类	Article
英文摘要	Rhenium is one of the main transmutation elements forming in tungsten under neutron irradiation. Therefore, it is essential to understand the influence of rhenium impurity on hydrogen isotopes retention in tungsten. First-principle calculations were used to study the properties of hydrogen solution and diffusion in perfect tungsten-rhenium lattice. The interstitial hydrogen still prefers the tetrahedral site in presence of rhenium, and rhenium atom cannot act directly as a trapping site of hydrogen. The presence of rhenium in tungsten raises the solution energy and the real normal modes of vibration on the ground state and the transition state, compared to hydrogen in pure tungsten. Without zero point energy corrections, the presence of rhenium decreases slightly the migration barrier. It is found that although the solution energy would tend to increase slightly with the rising of the concentration of rhenium, but which does not influence noticeably the solution energy of hydrogen in tungsten-rhenium alloy. The solubility and diffusion coefficient of hydrogen in perfect tungsten and tungsten-rhenium alloy have been estimated, according to Sievert's law and harmonic transition state theory. The results show the solubility of hydrogen in tungsten agrees well the experimental data, and the presence of Re would decrease the solubility and increase the diffusivity for the perfect crystals. (C) 2017 Elsevier B.V. All rights reserved.
电子版国际标准刊号	1873-4820
WOS关键词	MINIMUM ENERGY PATHS ; HIGH-STRENGTH STEELS ; ELASTIC BAND METHOD ; FUSION-REACTORS ; SADDLE-POINTS ; PHASE ; TRANSITION ; PARAMETERS ; TRANSPORT ; VACANCY
WOS研究方向	Materials Science ; Nuclear Science & Technology
语种	英语
WOS记录号	WOS:000404306700023
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/284824]
专题	高能物理研究所_东莞分部
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Yin, W,Wang BT,Zhao ZF,et al. Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy[J]. JOURNAL OF NUCLEAR MATERIALS,2017,491:206-212.
APA	Yin, W.,王宝田.,赵宗方.,Wang, BT.,Zhao, ZF.,...&任飞.(2017).Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy.JOURNAL OF NUCLEAR MATERIALS,491,206-212.
MLA	Yin, W,et al."Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy".JOURNAL OF NUCLEAR MATERIALS 491(2017):206-212.