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

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...

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Published inJournal of nuclear materials Vol. 563; p. 153634
Main Authors Ding, Wenyi, Zhang, Min, Jiang, Zhizhong, Zheng, Mingjie, Huang, Wangli
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 01.05.2022
Elsevier BV
Subjects
Alloying elements
Aluminum
Breeder reactors
Chromium
Corrosion
Corrosion tests
Dissolution
Dissolution corrosion
Ferritic stainless steels
First principles
FPMD simulation
Functional materials
Fusion reactors
Liquid lead
Liquid metal corrosion
Liquid PbLi
Lithium
Manganese
Martensitic stainless steels
Molecular dynamics
Radioactive wastes
RAFM Steel
Silicon
Steel
Steel alloys
Titanium
Tritium
Tungsten
Zirconium
FPMD
Dissolution corrosion
Liquid metal corrosion
PCF
FPMD simulation
EN
RAFM Steel
CN
Liquid PbLi
MSD
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Summary: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°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.
ISSN:0022-3115
1873-4820
DOI:10.1016/j.jnucmat.2022.153634