Atomistic simulations of defect clustering evolution in heavily irradiated Ti35 alloy

doi:10.1016/j.vacuum.2023.111952

IMECH-IR > 非线性力学国家重点实验室

	Atomistic simulations of defect clustering evolution in heavily irradiated Ti35 alloy
	Huang, Hai 1; Ma, Longjingrui ; Liu, Tianci ; Cai, Bin 1; Li, Huan 2; Peng Q(彭庆)
发表期刊	VACUUM
	2023-05
卷号	211 页码:111952
ISSN	0042-207X
摘要	Ti35 alloy (Ti 6wt.%Ta) has greatly promising applications in nuclear industries due to its excellent overall performance. Nevertheless, atomistic mechanisms of its defect clustering evolution due to long term exposure to irradiation remain scarcely understood by far. Here we investigate the heavy irradiation damage in Ti35 alloy with a dose of up to 4.0 canonical displacement per atom (cDPA) using atomistic simulations of Frenkel pair accumulation. Results show that defect clustering becomes remarkable before 0.04 cDPA and thereafter tends to be relatively stable, and the fraction is not directly dependent on the irradiation dose. Interstitials exhibit a stronger ability than vacancies to form clusters and especially the Nint>5 clusters may cause the formation of 1/ 3<1?210> dislocation loops. Compared to the matrix, Nint <= 5 interstitial type defects show a depletion of Ta atoms, while Nint>5 clusters are Ta rich. This study provides an important insight into the understanding of the irradiation damage behaviors for Ti35 alloy.
关键词	Ti35 alloy Heavy irradiation damage Frenkel pair accumulation Defect clustering Tantalum enrichment Molecular dynamics
DOI	10.1016/j.vacuum.2023.111952
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000952491400001
WOS研究方向	Materials Science, Multidisciplinary ; Physics, Applied
WOS类目	Materials Science ; Physics
项目资助者	National Natural Science Foundation of China [12105249] ; Key Project for Science and Technology Development of Henan Province [212102210195] ; Innovation Team Support Program for Cooperation of Young Talents & Enterprises in Zhengzhou University [32320368] ; Henan Province Postdoctoral Science Foundation [202102012] ; Research and Practice Project of Education and Teaching Reform in Zhengzhou University [2022ZZUJG173] ; Undergraduate Training Program for Innovation and Entrepreneurship in Zhengzhou University [2022cxcy362] ; Large Power Material Irradiation Experimental System (LP MIES) in Dalian University of Technology ; National Supercomputing Center in Zhengzhou
论文分区	二类
力学所作者排名	3+
RpAuthor	Huang, H (corresponding author), Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China.
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/91818
专题	非线性力学国家重点实验室
作者单位	1.Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China 2.Zhengzhou Univ, Inst Intelligent Sensing, Zhengzhou 450001, Peoples R China 3.Xian Rare Met Mat Inst Co Ltd, Xian 710016, Peoples R China 4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Huang, Hai,Ma, Longjingrui,Liu, Tianci,et al. Atomistic simulations of defect clustering evolution in heavily irradiated Ti35 alloy[J]. VACUUM,2023,211:111952.Rp_Au:Huang, H (corresponding author), Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China.
APA	Huang, Hai,Ma, Longjingrui,Liu, Tianci,Cai, Bin,Li, Huan,&彭庆.(2023).Atomistic simulations of defect clustering evolution in heavily irradiated Ti35 alloy.VACUUM,211,111952.
MLA	Huang, Hai,et al."Atomistic simulations of defect clustering evolution in heavily irradiated Ti35 alloy".VACUUM 211(2023):111952.

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