First-principles investigation of the orientation influenced He dissolution and diffusion behaviors on W surfaces

doi:10.1039/c7ra03281a

HFCAS OpenIR > 中科院固体物理研究所

	First-principles investigation of the orientation influenced He dissolution and diffusion behaviors on W surfaces
	Pan, G. Y.1,2; Li, Y. G.1,2 ; Zhang, Y. S.1,2; Zhang, C. G.1; Zhao, Z.1,3 ; Zeng, Z.1,2
	2017
发表期刊	RSC ADVANCES
摘要	The dissolution and diffusion behaviors of helium (He) for four low-Miller-index tungsten (W) surfaces [(110), (100), (112), and (111)] are systematically studied using the density functional theory to understand the surface-orientation-dependent He bubble formation. The results show that He accumulation on the surfaces is mainly affected by self-trapping and the formation of He-induced vacancies. He-induced vacancies tend to form on the surfaces of W(111), W(100), and W(112) than in the bulk. Specifically, for the W(111) surface, He accumulation is facilitated by the high activation barrier arising from He-induced vacancy trapping, whereas the W(110) surface is resistant to the formation of He bubbles because of the higher vacancy and He formation energies. Our results are helpful for understanding the orientation dependence of surface damage on the W surface under low-energy high flux He ion irradiation and designing irradiation-resistant plasma-facing materials.
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1039/c7ra03281a
关键词[WOS]	HELIUM PLASMA IRRADIATION ; MINIMUM ENERGY PATHS ; ELASTIC BAND METHOD ; TUNGSTEN SURFACES ; MOLECULAR-DYNAMICS ; SADDLE-POINTS ; CLUSTERS ; METALS ; BCC ; TEMPERATURE
收录类别	SCI
语种	英语
项目资助者	National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; National Science Foundation of China(11474283 ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Youth Innovation Promotion Association of CAS(2016386) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; Chinese Academy of Sciences(Y54N251241) ; CASHIPS ; CASHIPS ; CASHIPS ; CASHIPS ; CASHIPS ; CASHIPS ; CASHIPS ; CASHIPS ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; 11605231) ; 11605231) ; 11605231) ; 11605231) ; 11605231) ; 11605231) ; 11605231) ; 11605231)
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000401535100075
引用统计	被引频次：12[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/33433
专题	中科院固体物理研究所
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Anhui, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China 3.Anhui Univ, Sch Phys & Mat Sci, Hefei 230601, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Pan, G. Y.,Li, Y. G.,Zhang, Y. S.,et al. First-principles investigation of the orientation influenced He dissolution and diffusion behaviors on W surfaces[J]. RSC ADVANCES,2017,7(41):25789-25795.
APA	Pan, G. Y.,Li, Y. G.,Zhang, Y. S.,Zhang, C. G.,Zhao, Z.,&Zeng, Z..(2017).First-principles investigation of the orientation influenced He dissolution and diffusion behaviors on W surfaces.RSC ADVANCES,7(41),25789-25795.
MLA	Pan, G. Y.,et al."First-principles investigation of the orientation influenced He dissolution and diffusion behaviors on W surfaces".RSC ADVANCES 7.41(2017):25789-25795.