| Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE | |
| Xie, Lu; DaWu, Guang; Peng Q(彭庆); Wang, WenRui | |
| Source Publication | ANNALS OF NUCLEAR ENERGY
 |
| 2023-11-01 | |
| Volume | 192Pages:109983 |
| ISSN | 0306-4549 |
| Abstract | Lead-bismuth eutectic (LBE) corrosion-resistant materials are crucial for the development of future fourthgeneration nuclear reactors, and the dissolution and diffusion of material components are important processes in LBE corrosion-resistant materials. FeCrAl alloy is an important structural material for fourth-generation reactors, and it is essential to study its dissolution and diffusion processes in liquid LBE. Molecular dynamics simulations (MD) were used to investigate the mutual diffusion process between the FeCrAl alloy and liquid LBE. The dissolution and diffusion abilities of Fe, Cr, and Al atoms in liquid LBE were evaluated using mean-square displacement (MSD) and diffusion activation energy (DAE). Fe atoms exhibited the highest degree of diffusion, while Al atoms showed the lowest degree of diffusion, resulting in a distinct difference in the elemental distribution at the solid-liquid interface (SLI). There was a significant difference in the depth of penetration of Pb and Bi atoms into the FeCrAl alloy matrix, with Bi atoms penetrating deeper. Furthermore, there is a thermal vibration process during the invasion of Pb and Bi atoms into the FeCrAl alloy matrix, which promotes the invasion process of Pb and Bi atoms. In addition, an increase in temperature exacerbates the diffusion of Fe, Cr, and Al atoms in liquid LBE and the process of Pb and Bi atom invasion into the FeCrAl alloy matrix. Our research may contribute to the design of future nuclear-grade FeCrAl alloy and the development of next-generation reactors. |
| Keyword | FeCrAl alloy Lead-bismuth eutectic Dissolution and diffusion Solid-liquid interface Molecular dynamics |
| DOI | 10.1016/j.anucene.2023.109983 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001040169600001 |
| WOS Research Area | Nuclear Science & Technology |
| WOS Subject | Nuclear Science & Technology |
| Funding Organization | National Key R amp ; D Program of China [2020YFA0405700] ; National Natural Science Foundation of China [12272378] ; LiYing Program of the Institute of Mechanics, Chinese Academy of Sciences [E1Z1011001] |
| Classification | 二类 |
| Ranking | 3+ |
| Contributor | Xie, L ; Wang, WR (corresponding author), Univ Sci & Technol Beijing, Sch Mech Engn, Beijing 100083, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/92571 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.{Xie, Lu, Da Wu, Guang, Wang, Wen Rui} Univ Sci & Technol Beijing, Sch Mech Engn, Beijing 100083, Peoples R China 2.{Peng, Qing} Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China 3.{Peng, Qing} Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China |
| Recommended Citation GB/T 7714 | Xie, Lu,DaWu, Guang,Peng Q,et al. Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE[J]. ANNALS OF NUCLEAR ENERGY,2023,192:109983.Rp_Au:Xie, L, Wang, WR (corresponding author), Univ Sci & Technol Beijing, Sch Mech Engn, Beijing 100083, Peoples R China. |
| APA | Xie, Lu,DaWu, Guang,彭庆,&Wang, WenRui.(2023).Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE.ANNALS OF NUCLEAR ENERGY,192,109983. |
| MLA | Xie, Lu,et al."Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE".ANNALS OF NUCLEAR ENERGY 192(2023):109983. |
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| Jp2023Fa031.pdf（23653KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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