Individual cascade annealing in BCC tungsten: effects of size and spatial distributions of defects

doi:10.1039/d2ra04138c

	Individual cascade annealing in BCC tungsten: effects of size and spatial distributions of defects
	Wei, Liuming 1,2; Zhang, Chuanguo 1,2; Zheng, Qirong 1,2; Zeng, Zhi 1,2; Li, Yonggang 1,2
刊名	RSC ADVANCES
	2022-08-16
卷号	12
DOI	10.1039/d2ra04138c
通讯作者	Zhang, Chuanguo(cgzhang@theory.issp.ac.cn) ; Zeng, Zhi(zzeng@theory.issp.ac.cn) ; Li, Yonggang(ygli@theory.issp.ac.cn)
英文摘要	To investigate effects of size and spatial distributions of defects from primary damage to annealing of an individual cascade, molecular dynamics (MD) and object kinetic Monte Carlo (OKMC) are applied for simulating cascade generation and annealing. MD cascade simulations of tungsten are carried out with two typical embedded atom method potentials for cascade energies in the range from 0.1 to 100 keV at 300 K. The simulation results show that even though the number of survival defects varies slightly, these two potentials produce very different interstitial cluster (IC) size distribution and defect spatial distribution with cascade energies larger than 30 keV. Furthermore, OKMC is used to model individual cascade annealing. It demonstrates that larger-sized ICs and closely distributed SIAs in the cascade region will induce a much higher recombination fraction for individual cascade annealing. Therefore, special attention should be paid to the size and spatial distributions of defects for primary damage in the multi-scale simulation framework.
资助项目	National Natural Science Foundation of China[11975018] ; National MCF Energy RD Program[2018YEF0308100] ; Youth Innovation Promotion Association CAS[Y202087] ; GHfund A[20220201] ; GHfund A[2711] ; Director Grants of CASHIPS ; Beijing Computational Science Research Center (CSRC)
WOS关键词	INTERATOMIC POTENTIALS ; RADIATION-DAMAGE ; IRRADIATION ; EVOLUTION ; SIMULATION ; CLUSTERS
WOS研究方向	Chemistry
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000840919300001
资助机构	National Natural Science Foundation of China ; National MCF Energy RD Program ; Youth Innovation Promotion Association CAS ; GHfund A ; Director Grants of CASHIPS ; Beijing Computational Science Research Center (CSRC)
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/132069]
专题	中国科学院合肥物质科学研究院
通讯作者	Zhang, Chuanguo; Zeng, Zhi; Li, Yonggang
作者单位	1.Univ Sci & Technol China, Sci Isl Branch Grad Sch, Hefei 230026, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China
推荐引用方式 GB/T 7714	Wei, Liuming,Zhang, Chuanguo,Zheng, Qirong,et al. Individual cascade annealing in BCC tungsten: effects of size and spatial distributions of defects[J]. RSC ADVANCES,2022,12.
APA	Wei, Liuming,Zhang, Chuanguo,Zheng, Qirong,Zeng, Zhi,&Li, Yonggang.(2022).Individual cascade annealing in BCC tungsten: effects of size and spatial distributions of defects.RSC ADVANCES,12.
MLA	Wei, Liuming,et al."Individual cascade annealing in BCC tungsten: effects of size and spatial distributions of defects".RSC ADVANCES 12(2022).