Clustering and segregation of small vacancy clusters near tungsten (001) surface

doi:10.1016/j.nimb.2017.10.007

CORC > 近代物理研究所 > 中国科学院近代物理研究所 > 先进核能材料研究室（ADS）

	Clustering and segregation of small vacancy clusters near tungsten (001) surface
	Wang, Zhiguang1 ; Duan, Guohua 2,3; Li, Xiangyan 2; Xu, Yichun 2; Zhang, Yange 2; Jiang, Yan 2; Hao, Congyu 2,3; Liu, C. S.2; Fang, Q. F.2; Chen, Jun-Ling 4
刊名	NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
	2018
卷号	414 页码:29-37
关键词	Vacancy cluster Nanoporous tungsten Radiation-resistance Segregation
ISSN号	0168-583X
DOI	10.1016/j.nimb.2017.10.007
英文摘要	Nanoporous metals have been shown to exhibit radiation-tolerance due to the trapping of the defects by the surface. However, the behavior of vacancy clusters near the surface is not clear which involves the competition between the self-trapping and segregation of small vacancy clusters (Vn) nearby the surface. In this study, we investigated the energetic and kinetic properties of small vacancy clusters near tungsten (0 0 1) surface by combining molecular statics (MS) calculations and object Kinetic Monte Carlo (OKMC) simulations. Results show that vacancies could be clustered with the reduced formation energy and migration energy of the single vacancy around a cluster as the respective energetic and kinetic driving forces. The small cluster has a migration energy barrier comparable to that for the single vacancy; the migration energy barriers for V1-5 and V7 are 1.80, 1.94, 2.17, 2.78, 3.12 and 3.11 eV, respectively. Clusters and become unstable near surface (0 01) and tend to dissociate into the surface. At the operation temperature of 1000 K, the single vacancy, V2, 2 V 3 V3 and V4 were observed to segregate to the surface within a time of one hour. Meanwhile, larger clusters survived near the surface, which could serve as nucleating center for voids near the surface. Our results suggest that under a low radiation dose, surface (0 01) could act as a sink for small vacancy clusters, alleviating defect accumulation in the material under a low radiation dose. We also obtained several empirical expressions for the vacancy cluster formation energy, binding energy, and trapping radius as a function of the number of vacancies in the cluster.
资助项目	National Magnetic Confinement Fusion Program[2015GB112001] ; National Natural Science Foundation of China[11505215] ; National Natural Science Foundation of China[11475214] ; National Natural Science Foundation of China[51601189] ; National Natural Science Foundation of China[11505214] ; National Natural Science Foundation of China[11575229] ; National Natural Science Foundation of China[51671185] ; Center for Computation Science, Hefei Institutes of Physical Sciences ; International Atomic Energy Agency (IAEA)
WOS关键词	GRAIN-BOUNDARIES ; RADIATION-RESISTANCE ; IRRADIATED METALS ; THERMAL-STABILITY ; BCC-FE ; ENERGY ; VOIDS ; IRON
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:000423008300005
资助机构	National Magnetic Confinement Fusion Program ; National Natural Science Foundation of China ; Center for Computation Science, Hefei Institutes of Physical Sciences ; International Atomic Energy Agency (IAEA)
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/46202]
专题	近代物理研究所_先进核能材料研究室（ADS）
作者单位	1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, POB 1129, Hefei 230031, Anhui, Peoples R China 3.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China 4.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Wang, Zhiguang,Duan, Guohua,Li, Xiangyan,et al. Clustering and segregation of small vacancy clusters near tungsten (001) surface[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2018,414:29-37.
APA	Wang, Zhiguang.,Duan, Guohua.,Li, Xiangyan.,Xu, Yichun.,Zhang, Yange.,...&Luo, G. -N..(2018).Clustering and segregation of small vacancy clusters near tungsten (001) surface.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,414,29-37.
MLA	Wang, Zhiguang,et al."Clustering and segregation of small vacancy clusters near tungsten (001) surface".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 414(2018):29-37.