Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation

doi:10.1016/j.nimb.2020.04.022

	Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation
	Rui, Heng 1; Zhu, Huiping 1; Chang, Baochen 1; Zhou, Ting 2; Wang, Dong 3; Gao, Ning 4,5; Niu, Fenglei 1; Ma, Yan 1
刊名	NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
	2020-07-15
卷号	475 页码:33-38
关键词	Molecular dynamics Displacement cascade Lead atom penetration Iron
ISSN号	0168-583X
DOI	10.1016/j.nimb.2020.04.022
通讯作者	Zhu, Huiping(zhuhuiping@ncepu.edu.cn)
英文摘要	Displacement cascades in bcc Fe-Pb solid solution are studied by molecular dynamics (MD) simulations. The Fe-Pb alloy model with different Pb concentrations was set as the Pb penetration structure of iron-based materials in actual working conditions. The results show that Pb atom penetration enhances the radiation damage of displacement cascades in Fe. The number of stable point defects in Fe-Pb alloy increases significantly, varies with Pb concentration and PKA energy. The differences of defect recombination rate are obvious under different Pb concentrations. Point defect analysis results indicate that there are rules in the relation between the interstitial and vacancy of two elements. Besides, unconnected cascade collision is found in Fe-Pb model under 10 keV, and the size of the subcascade affects the formation of cluster. The cluster results show that the interstitial form clusters easier and larger than vacancy, the PKA energy and Pb concentration can influence the size of clusters.
资助项目	National Natural Science Foundation of China[11705059] ; National Natural Science Foundation of China[U1967212] ; National Natural Science Foundation of China[11705058] ; National Natural Science Foundation of China[11635005] ; Science and Technology on Reactor System Design Technology Laboratory ; Fundamental Research Funds for the Central Universities[2019MS034] ; Beijing Natural Science Foundation[1192016] ; Beijing Natural Science Foundation[2162040] ; National Science and Technology Major Project[2019ZX06004009]
WOS关键词	COMPUTER-SIMULATION ; CORROSION BEHAVIOR ; ENERGY ; FE ; BISMUTH ; STEELS ; ALLOY ; LBE
WOS研究方向	Instruments & Instrumentation ; Nuclear Science & Technology ; Physics
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000536908800006
资助机构	National Natural Science Foundation of China ; Science and Technology on Reactor System Design Technology Laboratory ; Fundamental Research Funds for the Central Universities ; Beijing Natural Science Foundation ; National Science and Technology Major Project
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/140758]
专题	中国科学院近代物理研究所
通讯作者	Zhu, Huiping
作者单位	1.North China Elect Power Univ, Beijing 102206, Peoples R China 2.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 3.Nucl Power Inst China, Sci & Technol Reactor Fuel & Mat Lab, Chengdu 610213, Peoples R China 4.ShanDong Univ, Inst Frontier & Interdisciplinary Sci, Qingdao 266237, Peoples R China 5.ShanDong Univ, Key Lab Particle Phys & Particle Irradiat MOE, Qingdao 266237, Peoples R China
推荐引用方式 GB/T 7714	Rui, Heng,Zhu, Huiping,Chang, Baochen,et al. Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2020,475:33-38.
APA	Rui, Heng.,Zhu, Huiping.,Chang, Baochen.,Zhou, Ting.,Wang, Dong.,...&Ma, Yan.(2020).Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,475,33-38.
MLA	Rui, Heng,et al."Effect of lead atom penetration on displacement cascade in bcc iron studied by molecular dynamics simulation".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 475(2020):33-38.