Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead-bismuth eutectic alloy
文献类型：期刊论文
| 作者 | Pan, B. C.2,4; Li, Dongdong2,4; Xu, Yichun3; Song, Chi3; Wang, Zhiguang1 ; Liu, C. S.3
|
| 刊名 | PHYSICA B-CONDENSED MATTER
 |
| 出版日期 | 2013-11-15 |
| 卷号 | 429页码:6-11 |
| 关键词 | Lead-bismuth Eutectic Structural Transformation Ab Initio Molecular Dynamics |
| ISSN号 | 0921-4526 |
| DOI | 10.1016/j.physb.2013.08.004 |
| 文献子类 | Article |
| 英文摘要 | Considerable attention has been devoted to liquid lead-bismuth eutectic (LBE) alloy due to its potential application as spallation target and coolant in future sub-critical reactors. Whether there exists an abnormal structural change at high temperatures in this liquid alloy is still under debate. In this paper, we perform ab initio molecular dynamics simulation on the structure and dynamics of liquid CBE at different temperatures from 573 to 1173 K. Through the analysis of the pair correlation function, static structure factor, coordination number, atomic bonded pair, excess entropy, and diffusion constant with increasing temperature, we find that these structure-sensitive quantities change gradually with temperature and exhibit linear temperature dependence. No abnormal structural transformations with temperature variation are observed. (C) 2013 Elsevier B.V. All rights reserved. |
| WOS关键词 | PB-BI ALLOYS ; SIMULATION |
| 资助项目 | National Magnetic Confinement Fusion Program[2011GB108004] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000324249300002 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.186/handle/113462/48325]  |
| 专题 | 近代物理研究所_先进核能材料研究室（ADS） |
| 通讯作者 | Liu, C. S. |
| 作者单位 | 1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 2.Univ Sci & Technol China, Dept Phys, Anhua 230026, Peoples R China 3.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, Hefei 230031, Peoples R China 4.Univ Sci & Technol China, Natl Lab Phys Sci Microscale, Anhua 230026, Peoples R China |
| 推荐引用方式 GB/T 7714 | Pan, B. C.,Li, Dongdong,Xu, Yichun,et al. Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead-bismuth eutectic alloy[J]. PHYSICA B-CONDENSED MATTER,2013,429:6-11. |
| APA | Pan, B. C.,Li, Dongdong,Xu, Yichun,Song, Chi,Wang, Zhiguang,&Liu, C. S..(2013).Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead-bismuth eutectic alloy.PHYSICA B-CONDENSED MATTER,429,6-11. |
| MLA | Pan, B. C.,et al."Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead-bismuth eutectic alloy".PHYSICA B-CONDENSED MATTER 429(2013):6-11. |
入库方式： OAI收割
来源：近代物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。