| Ab initio study of dynamical properties of U-Nb alloy melt* | |
| Shi, Yong-Peng1,2; Liu, Ming-Feng1,2; Chen, Yun1; Mo, Wen-Lin3; Li, Dian-Zhong1; Fa, Tao3; Bai, Bin3; Wang, Xiao-Lin3; Chen, Xing-Qiu1 | |
| 通讯作者 | Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn) |
| 2021-12-01 | |
| 发表期刊 | CHINESE PHYSICS B
 |
| ISSN | 1674-1056 |
| 卷号 | 30期号:12页码:8 |
| 摘要 | The U-Nb alloy, as a kind of nuclear material with good corrosion resistance and mechanical properties, plays an important role in the nuclear industry. However, the experimental measurements and theoretical calculations of many parameters which are essential in describing the dynamical properties of this alloy melt, including density, diffusivity, and viscosity, have not been carried out yet. The lack of data on the dynamical properties of nuclear materials seriously hinders the high-performance nuclear materials from being developed and applied. In this work, the dynamical properties of the U-Nb alloy melt are systematically studied by means of ab initio molecular dynamics simulations and their corresponding mathematical models are established, thereby being able to rapidly calculate the densities, diffusion coefficients, viscosities, and their activation energies in the whole U-Nb liquid region. This work provides a new idea for investigating the dynamical properties of binary alloy melts, thereby promoting the development of melt research. |
| 关键词 | U-Nb alloy melt dynamical properties ab initio study |
| 资助者 | Science Challenging Project, China ; National Natural Science Foundation of China |
| DOI | 10.1088/1674-1056/ac0bac |
| 收录类别 | SCI |
| 语种 | 英语 |
| 资助项目 | Science Challenging Project, China[TZ2016004] ; National Natural Science Foundation of China[51701193] |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| WOS记录号 | WOS:000738248600001 |
| 出版者 | IOP Publishing Ltd |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.imr.ac.cn/handle/321006/173788 |
| 专题 | 中国科学院金属研究所 |
| 通讯作者 | Chen, Xing-Qiu |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.China Acad Engn Phys, Inst Mat, Jiangyou 621907, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shi, Yong-Peng,Liu, Ming-Feng,Chen, Yun,et al. Ab initio study of dynamical properties of U-Nb alloy melt*[J]. CHINESE PHYSICS B,2021,30(12):8. |
| APA | Shi, Yong-Peng.,Liu, Ming-Feng.,Chen, Yun.,Mo, Wen-Lin.,Li, Dian-Zhong.,...&Chen, Xing-Qiu.(2021).Ab initio study of dynamical properties of U-Nb alloy melt*.CHINESE PHYSICS B,30(12),8. |
| MLA | Shi, Yong-Peng,et al."Ab initio study of dynamical properties of U-Nb alloy melt*".CHINESE PHYSICS B 30.12(2021):8. |
| 条目包含的文件 | 条目无相关文件。 | |||||
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