| 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 | |
| Corresponding Author | Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn) |
| 2021-12-01 | |
| Source Publication | CHINESE PHYSICS B
 |
| ISSN | 1674-1056 |
| Volume | 30Issue:12Pages:8 |
| Abstract | 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. |
| Keyword | U-Nb alloy melt dynamical properties ab initio study |
| Funding Organization | Science Challenging Project, China ; National Natural Science Foundation of China |
| DOI | 10.1088/1674-1056/ac0bac |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Science Challenging Project, China[TZ2016004] ; National Natural Science Foundation of China[51701193] |
| WOS Research Area | Physics |
| WOS Subject | Physics, Multidisciplinary |
| WOS ID | WOS:000738248600001 |
| Publisher | IOP Publishing Ltd |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/173788 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Chen, Xing-Qiu |
| Affiliation | 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 |
| Recommended Citation 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. |
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