The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study

doi:10.3390/ma16124296

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	The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study
	Yuan, Xiaoting ; Huang, Hai ; Zhong, Yinghui ; Cai, Bin ; Liu, Zhongxia ; Peng Q(彭庆)
刊名	MATERIALS ; 12
	2023-06
卷号	16 页码:4296
关键词	nickel-based alloys hydrogen embrittlement displacement cascades hydrogen clusters molecular dynamics
DOI	10.3390/ma16124296
英文摘要	Nickel-based alloys have demonstrated significant promise as structural materials for Gen-IV nuclear reactors. However, the understanding of the interaction mechanism between the defects resulting from displacement cascades and solute hydrogen during irradiation remains limited. This study aims to investigate the interaction between irradiation-induced point defects and solute hydrogen on nickel under diverse conditions using molecular dynamics simulations. In particular, the effects of solute hydrogen concentrations, cascade energies, and temperatures are explored. The results show a pronounced correlation between these defects and hydrogen atoms, which form clusters with varying hydrogen concentrations. With increasing the energy of a primary knock-on atom (PKA), the number of surviving self-interstitial atoms (SIAs) also increases. Notably, at low PKA energies, solute hydrogen atoms impede the clustering and formation of SIAs, while at high energies, they promote such clustering. The impact of low simulation temperatures on defects and hydrogen clustering is relatively minor. High temperature has a more obvious effect on the formation of clusters. This atomistic investigation offers valuable insights into the interaction between hydrogen and defects in irradiated environments, thereby informing material design considerations for next-generation nuclear reactors.
分类号	二类
WOS研究方向	Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Physics, Applied ; Physics, Condensed Matter
语种	英语
WOS记录号	WOS:001017290800001
资助机构	National Natural Science Foundation of China [12105249, 12272378] ; Key Project for Science and Technology Development of Henan Province [212102210195] ; Henan Province Postdoctoral Science Foundation [202102012] ; Open Project of State Key Laboratory of Nuclear Physics and Technology, Peking University ; Top doctoral Talents Program of Zhengzhou University [21350621] ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences [E1Z1011001]
其他责任者	Huang, H (corresponding author), Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China. ; Peng, Q (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. ; Peng, Q (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China. ; Peng, Q (corresponding author), Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China.
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/92381]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.{Peng Qing} Harbin Inst Technol Sch Sci Shenzhen 518055 Peoples R China 2.{Peng Qing} Univ Chinese Acad Sci Sch Engn Sci Beijing 100049 Peoples R China 3.{Peng Qing} Chinese Acad Sci Inst Mech State Key Lab Nonlinear Mech Beijing 100190 Peoples R China 4.{Yuan Xiaoting, Huang Hai, Zhong Yinghui, Cai Bin, Liu Zhongxia} Zhengzhou Univ Sch Phys & Microelect Key Lab Mat Phys Minist Educ Zhengzhou 450052 Peoples R China
推荐引用方式 GB/T 7714	Yuan, Xiaoting,Huang, Hai,Zhong, Yinghui,et al. The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study[J]. MATERIALS, 12,2023,16:4296.
APA	Yuan, Xiaoting,Huang, Hai,Zhong, Yinghui,Cai, Bin,Liu, Zhongxia,&彭庆.(2023).The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study.MATERIALS,16,4296.
MLA	Yuan, Xiaoting,et al."The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study".MATERIALS 16(2023):4296.