Effect of the accumulated vacancies and interstitials on the tungsten surface on the surface's role as defect sinks

doi:10.1016/j.nimb.2018.09.010

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

	Effect of the accumulated vacancies and interstitials on the tungsten surface on the surface's role as defect sinks
	Hao, Congyu 1,2; Li, Xiangyan 2; Zhang, Yange 2; Xu, Yichun 2; Jiang, Yan 2; Liu, C. S.2; Fang, Q. F.2; Wang, Xianping 2; Zhang, Tao 2
刊名	NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
	2018-12-01
卷号	436 页码:51-62
关键词	Radiation damage Surface Segregation Annihilation Tungsten
ISSN号	0168-583X
DOI	10.1016/j.nimb.2018.09.010
通讯作者	Xu, Yichun(xuyichun@issp.ac.cn) ; Liu, C. S.(csliu@issp.ac.cn)
英文摘要	Neutrons induce displacement damage to the tungsten-based plasma facing material by creating radiation-defects, e.g., vacancies (Vs) and self-interstitial atoms (SIAs). These defects will accumulate on the surface and further affect surfaces role as defect sinks. In this work, by combining molecular statics (MS) and object kinetic Monte Carlo (OKMC) methods, we study the clustering of the V/SIA(n) on the two typical low-index W surfaces (1 0 0) and (1 1 0) to uncover the effect of the agglomerated surface V/SIA on the segregation and annihilation of the V and SIA nearby. Results show that the V-n/SIA(n) could form on the two surfaces via the agglomeration of the V/SIA on the surfaces with the energy release and the reduced energy barrier for the V/SIA diffusion near the V-n/SIA(n) as respective energetic and kinetic driving force. Yet, the V-n/SIA(n) is more easily formed on surface (1 1 0) compared to surface (10 0) due to the much larger binding energy of a V with a V. (or a SIA with a SIA(n)) and lower diffusion energy barrier of the V/SIA on surface (1 10) than that on surface (1 0 0). Long-term OKMC simulations of the V/SIA behavior near the surfaces at 1000 K show that surface (1 0 0) could develop to locally convex structures due to the SIA agglomeration, while surface (1 1 0) will evolve to locally concave-convex structures due to the V/SIA clustering. Meanwhile, the interaction mechanism of the V/SIA with the surface is changed from the fundamental segregation, annihilation and clustering of the V/SIA near a pure surface to the trapping for the V/SIA by the locally concave-convex structure and the junction.
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[11505215] ; National Natural Science Foundation of China[11475214] ; National Natural Science Foundation of China[11505214] ; National Natural Science Foundation of China[51871207] ; National Natural Science Foundation of China[51671185] ; National Natural Science Foundation of China[11735015] ; National Natural Science Foundation of China[11575229] ; National Natural Science Foundation of China[51771181] ; National Natural Science Foundation of China[51771184] ; National Natural Science Foundation of China[51601189] ; Center for Computation Science, Hefei Institutes of Physical Sciences
WOS关键词	CRYSTAL ORIENTATION ; ION-IRRADIATION ; RADIATION-DAMAGE ; FLUX HELIUM ; LOW-ENERGY ; CLUSTERS ; ANNIHILATION ; SEGREGATION ; DEPENDENCE
WOS研究方向	Instruments & Instrumentation ; Nuclear Science & Technology ; Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000452585400009
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 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 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 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 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 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 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 ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/40620]
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.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, POB 1129, Hefei 230031, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Hao, Congyu,Li, Xiangyan,Zhang, Yange,et al. Effect of the accumulated vacancies and interstitials on the tungsten surface on the surface's role as defect sinks[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2018,436:51-62.
APA	Hao, Congyu.,Li, Xiangyan.,Zhang, Yange.,Xu, Yichun.,Jiang, Yan.,...&Zhang, Tao.(2018).Effect of the accumulated vacancies and interstitials on the tungsten surface on the surface's role as defect sinks.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,436,51-62.
MLA	Hao, Congyu,et al."Effect of the accumulated vacancies and interstitials on the tungsten surface on the surface's role as defect sinks".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 436(2018):51-62.