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

doi:10.1088/1741-4326/aaf297

CORC > 合肥物质科学研究院 > 中国科学院合肥物质科学研究院 > 中科院固体物理研究所

	Interplay of solute-mixed self-interstitial atoms and substitutional solutes with interstitial and substitutional helium atoms in tungsten-transition metal alloys
	You, Yu-Wei 1; Sun, Jingjing 1,2; Wu, Xuebang1 ; Xu, Yichun 1; Zhang, Tao 1; Hao, Ting 1; Fang, Q. F.1; Liu, C. S.1
刊名	NUCLEAR FUSION
	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
DOI	10.1088/1741-4326/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.
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关键词	NEUTRON-IRRADIATION ; POINT-DEFECTS ; 1ST-PRINCIPLES ; RHENIUM ; MICROSTRUCTURE ; EVOLUTION ; HE
WOS研究方向	Physics
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000454075500002
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
内容类型	期刊论文
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.