Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface
文献类型：期刊论文
| 作者 | Zhou, Ting1,2; Gao, Xing1,2; Ma, Zhiwei1,2 ; Chang, Hailong1,2; Shen, Tielong1,2; Wang, Zhiguang1,2
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| 刊名 | JOURNAL OF NUCLEAR MATERIALS
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| 出版日期 | 2021-11-01 |
| 卷号 | 555页码:8 |
| 关键词 | Classical molecular dynamics bcc Fe(100)-liquid lead-bismuth eutectic(LBE) solid-liquid interface bismuth eutectic (LBE) solid Corrosion Diffusion |
| ISSN号 | 0022-3115 |
| DOI | 10.1016/j.jnucmat.2021.153107 |
| 通讯作者 | Wang, Zhiguang() |
| 英文摘要 | Behaviors of body centered cubic (bcc) Fe(100)-liquid lead-bismuth eutectic (LBE) solid-liquid interface have been studied by classical molecular dynamics simulation (MD) with embedded-atom model potential under anaerobic conditions. Both static and dynamic simulation results indicate that Fe atoms prefer to bind with Bi atoms rather than Pb atoms. Trajectories of Bi and Pb perpendicular to the interface show obvious thermal vibrations of both liquid components at the time scale of about 0.9 ns for atoms Bi, and about 0.3 ns for atoms Pb, respectively. Temperature effect on penetration of liquid atoms into bulk Fe and dissolution of Fe into liquid in the solid-liquid interface system show that interactions between the bcc Fe(100) and liquid LBE mount perceptibly in the temperature range of 823 to 873 K. This result indicates that the critical temperature of the interaction between the bcc Fe(100) and liquid LBE is between 823 K and 873 K, which is consistent with the designed operating temperature for LBE coolant. (c) 2021 Elsevier B.V. All rights reserved. |
| WOS关键词 | MOLECULAR-DYNAMICS SIMULATION ; MARTENSITIC STEEL ; LEAD ; CORROSION ; TEMPERATURE ; IMPURITIES ; T91 |
| 资助项目 | [U1832206] |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| 语种 | 英语 |
| WOS记录号 | WOS:000686064900010 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.186/handle/113462/136608]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Wang, Zhiguang |
| 作者单位 | 1.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, Ting,Gao, Xing,Ma, Zhiwei,et al. Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface[J]. JOURNAL OF NUCLEAR MATERIALS,2021,555:8. |
| APA | Zhou, Ting,Gao, Xing,Ma, Zhiwei,Chang, Hailong,Shen, Tielong,&Wang, Zhiguang.(2021).Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface.JOURNAL OF NUCLEAR MATERIALS,555,8. |
| MLA | Zhou, Ting,et al."Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface".JOURNAL OF NUCLEAR MATERIALS 555(2021):8. |
入库方式： OAI收割
来源：近代物理研究所
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