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Interplay of solute-mixed self-interstitial atoms and substitutional solutes with interstitial and substitutional helium atoms in tungsten-transition metal alloys

文献类型：期刊论文

作者You, Yu-Wei1; Sun, Jingjing1,2; Wu, Xuebang1; Xu, Yichun1; Zhang, Tao1; Hao, Ting1; Fang, Q. F.1; Liu, C. S.1
刊名NUCLEAR FUSION
出版日期2019-02-01
卷号59期号:2页码:10
关键词tungsten-transition metal alloys alloying solutes mixed self-interstitial atoms helium clustering nuclear fusion plasma-facing material
ISSN号0029-5515
DOI10.1088/1741-4326/aaf297
通讯作者Xu, Yichun(xuyichun@issp.ac.cn) ; Liu, C. S.(csliu@issp.ac.cn)
英文摘要In a fusion reactor environment, the irradiation of neutrons and helium (He) plasma produces a great number of self-interstitial atoms and vacancies in tungsten (W), which inevitably interact with alloying solutes to form mixed self-interstitial atoms and substitutional solutes. The interactions of solutes with He atoms affect the behaviors of both, and ultimately cause the formation of solute precipitates and He bubbles; however, the micro-mechanisms of this are still mysterious. In this work, we perform systematic ab initio calculations to study the mutual influence of solutes and I u atoms on their behaviors. It is found that most of the considered solutes bind tightly with the most stable < 1 1 1 > dumbbells forming mixed < 1 1 0 > or < 1 1 1 > dumbbells. Solute-mixed dumbbells can act as trapping centers for He atoms. Mixed dumbbells bind very tightly with interstitial He atoms and all the binding energies are larger than 1.0 eV. Compared with the energy for the formation of a W Frenkel pair with the presence of He, the energies needed for the formation of most solute-mixed Frenkel pairs are decreased while titanium, zirconium, niobitum, hafnium, and tantalum-mixed Frenkel pairs are exceptions. Similarly, substitutional solutes can also trap interstitial and substitutional He atoms, and 3d solutes bind stronger with interstitial He followed by 4d and 5d solutes while it is the opposite for interactions of substitutional solutes with substitutional He atoms. The underlying reasons controlling the interactions of mixed dumbbells and substitutional solutes with interstitial and substitutional He atoms are analyzed.
WOS关键词NEUTRON-IRRADIATION ; POINT-DEFECTS ; 1ST-PRINCIPLES ; RHENIUM ; MICROSTRUCTURE ; EVOLUTION ; HE
资助项目National Magnetic Confinement Fusion Program[2015GB112001] ; National Key Research and Development Program of China[2017YFA0402800] ; National Natural Science Foundation of China[11735015] ; National Natural Science Foundation of China[51771184] ; National Natural Science Foundation of China[11575231] ; National Natural Science Foundation of China[11575229] ; National Natural Science Foundation of China[51671185]
WOS研究方向Physics
语种英语
WOS记录号WOS:000454075500002
出版者IOP PUBLISHING LTD
资助机构National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Magnetic Confinement Fusion Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/40555]  
专题合肥物质科学研究院_中科院固体物理研究所
通讯作者Xu, Yichun; Liu, C. S.
作者单位1.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, POB 1129, Hefei 230031, Anhui, Peoples R China
2.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 You, Yu-Wei,Sun, Jingjing,Wu, Xuebang,et al. Interplay of solute-mixed self-interstitial atoms and substitutional solutes with interstitial and substitutional helium atoms in tungsten-transition metal alloys[J]. NUCLEAR FUSION,2019,59(2):10.
APA You, Yu-Wei.,Sun, Jingjing.,Wu, Xuebang.,Xu, Yichun.,Zhang, Tao.,...&Liu, C. S..(2019).Interplay of solute-mixed self-interstitial atoms and substitutional solutes with interstitial and substitutional helium atoms in tungsten-transition metal alloys.NUCLEAR FUSION,59(2),10.
MLA You, Yu-Wei,et al."Interplay of solute-mixed self-interstitial atoms and substitutional solutes with interstitial and substitutional helium atoms in tungsten-transition metal alloys".NUCLEAR FUSION 59.2(2019):10.

入库方式： OAI收割

来源：合肥物质科学研究院

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