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First Principles Study on the Dissolution Corrosion Behavior of RAFM Steel in the Liquid PbLi

文献类型：期刊论文

作者Ding, Wenyi2; Zhang, Min2; Jiang, Zhizhong1,2; Zheng, Mingjie1,2; Huang, Wangli2
刊名JOURNAL OF NUCLEAR MATERIALS
出版日期2022-05-01
卷号563
ISSN号0022-3115
关键词RAFM Steel Liquid PbLi Dissolution corrosion FPMD simulation Liquid metal corrosion
DOI10.1016/j.jnucmat.2022.153634
通讯作者Zheng, Mingjie(mingjie.zheng@inest.cas.cn) ; Huang, Wangli(wangli.huang@inest.cas.cn)
英文摘要Liquid Lead-Lithium (PbLi) alloys are promising functional material which can act as both neutron multiplier and tritium breeder in liquid blanket of fusion reactors, however, their corrosion behavior on RAFM steel is still a challenge. In this work, the dissolution, diffusion, bonding and charging behavior of steel alloy elements in liquid PbLi were investigated by using the first principles molecular dynamics simulations. The dissolution order of the main alloy elements of RAFM steel dissolved into the liquid PbLi was Cr > Fe > V > Mn > Ta > W > C. O atom tend to bond with Li atom in liquid PbLi and the O dissolution energy had negative value of-3.84 eV. The binding energies of Y-O, Ti-O, Al-O, Si-O, Zr-O, Ta-C, V-C, Ta-N and V N pairs within liquid PbLi at temperature 500 & DEG;C show that related oxides/carbides/nitrides in RAFM steel do not likely to decompose and may not affect their dissolution corrosion behavior. These data can provide indispensable information for understanding the dissolution corrosion behavior of advanced RAFM steel in liquid PbLi. (C)& nbsp;2022 Elsevier B.V. All rights reserved.
WOS关键词INITIO MOLECULAR-DYNAMICS ; MECHANICAL-PROPERTIES ; EUROFER STEEL ; MICROSTRUCTURE ; LEAD ; COMPATIBILITY ; SUSCEPTIBILITY ; LITHIUM ; IRON ; LI
资助项目National Magnetic Confine-ment Fusion Science Program[2018YFE0307104] ; National Natural Science Foundation of China[11604336]
WOS研究方向Materials Science ; Nuclear Science & Technology
语种英语
出版者ELSEVIER
WOS记录号WOS:000793200400002
资助机构National Magnetic Confine-ment Fusion Science Program ; National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/130795]  
专题中国科学院合肥物质科学研究院
通讯作者Zheng, Mingjie; Huang, Wangli
作者单位1.Univ Sci & Technol China, Hefei 230026, Peoples R China
2.Chinese Acad Sci, Inst Nucl Energy Safety Technol, Hefei Inst Phys Sci, Hefei 230031, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 Ding, Wenyi,Zhang, Min,Jiang, Zhizhong,et al. First Principles Study on the Dissolution Corrosion Behavior of RAFM Steel in the Liquid PbLi[J]. JOURNAL OF NUCLEAR MATERIALS,2022,563.
APA Ding, Wenyi,Zhang, Min,Jiang, Zhizhong,Zheng, Mingjie,&Huang, Wangli.(2022).First Principles Study on the Dissolution Corrosion Behavior of RAFM Steel in the Liquid PbLi.JOURNAL OF NUCLEAR MATERIALS,563.
MLA Ding, Wenyi,et al."First Principles Study on the Dissolution Corrosion Behavior of RAFM Steel in the Liquid PbLi".JOURNAL OF NUCLEAR MATERIALS 563(2022).

入库方式： OAI收割

来源：合肥物质科学研究院

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