Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method

doi:10.1016/j.carbon.2022.01.059

IMR OpenIR

	Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method
	Long, X. H.1,2; Setyawan, W.3; Tai, K. P.4; Liu, Y.1,2; Yu, M. S.1,2; Wang, Z. Q.1,2,5; Gao, N.1,2,6; Wang, X. L.1,2
通讯作者	Gao, N.(ning.gao@sdu.edu.cn) ; Wang, X. L.(xuelinwang@sdu.edu.cn)
	2022-05-01
发表期刊	CARBON
ISSN	0008-6223
卷号	191 页码:350-361
摘要	The formation and evolution of radiation defects and their effects on bending property of a single graphite under low energy helium atom implantation have been studied at atomic scale through mo-lecular dynamics simulations. Various simple interstitial and vacancy defects are observed during the implantation process, which is a function of incident energy and cross section of helium-carbon inter-action. Large defects are observed after continuous helium atom implantations. The effects of incident energy on the density, size and distribution of defects are analyzed in detail. Furthermore, the kinetic evolution process of radiation defects at different annealing temperatures have also been simulated, including the migration, aggregation, transformation, coalescence, and self-healing. The large defect clusters, crossing several carbon layers, have been confirmed to be the primary reasons that affect the bending property of graphite. All these results provide a new understanding for further applications of graphite in nuclear reactors. (c) 2022 Elsevier Ltd. All rights reserved.
关键词	Molecular dynamics Graphite Atomic implantation Radiation defects Bending properties
资助者	National Natural Science Foundation of China ; Ministry of Science and Technology of China ; U.S. Department of Energy through the Office of Fusion Energy Sciences
DOI	10.1016/j.carbon.2022.01.059
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[12075141] ; National Natural Science Foundation of China[51927803] ; National Natural Science Foundation of China[52073290] ; National Natural Science Foundation of China[11675230] ; Ministry of Science and Technology of China[2017YFA0700702] ; U.S. Department of Energy through the Office of Fusion Energy Sciences[DE-AC05-76RLO-1830]
WOS研究方向	Chemistry ; Materials Science
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary
WOS记录号	WOS:000760412400011
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/173193
专题	中国科学院金属研究所
通讯作者	Gao, N.; Wang, X. L.
作者单位	1.ShanDong Univ, Inst Frontier & Interdisciplinary Sci, Qingdao 266237, Peoples R China 2.ShanDong Univ, Key Lab Particle Phys & Particle Irradiat MOE, Qingdao 266237, Peoples R China 3.Pacific Northwest Natl Lab, Richland, WA 99352 USA 4.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang, Peoples R China 5.Jilin Univ, Key Lab Bion Engn, Minist Educ, Changchun, Peoples R China 6.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
推荐引用方式 GB/T 7714	Long, X. H.,Setyawan, W.,Tai, K. P.,et al. Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method[J]. CARBON,2022,191:350-361.
APA	Long, X. H..,Setyawan, W..,Tai, K. P..,Liu, Y..,Yu, M. S..,...&Wang, X. L..(2022).Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method.CARBON,191,350-361.
MLA	Long, X. H.,et al."Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method".CARBON 191(2022):350-361.