New interatomic potentials of W, Re and W-Re alloy for radiation defects
文献类型：期刊论文
| 作者 | Chen, Yangchun1,2; Li, Yu-Hao3; Gao, Ning4; Zhou, Hong-Bo3; Hu, Wangyu2; Lu, Guang-Hong3; Gao, Fei2,5; Deng, Huiqiu1,2 |
| 刊名 | JOURNAL OF NUCLEAR MATERIALS
 |
| 出版日期 | 2018-04-15 |
| 卷号 | 502页码:141-153 |
| 关键词 | W-Re alloy Empirical potentials Radiation defects Molecular dynamics simulation |
| ISSN号 | 0022-3115 |
| DOI | 10.1016/j.jnucmat.2018.01.059 |
| 英文摘要 | Tungsten (W) and W-based alloys have been considered as promising candidates for plasma-facing materials (PFMs) in future fusion reactors. The formation of rhenium (Re)-rich clusters and intermetallic phases due to high energy neutron irradiation and transmutations significantly induces the hardening and embrittlement of W. In order to better understand these phenomena, in the present work, new interatomic potentials of W-W, Re-Re and W-Re, suitable for description of radiation defects in such alloys, have been developed. The fitted potentials not only reproduce the results of the formation energy, binding energy and migration energy of various radiation defects and the physical properties from the extended database obtained from DFT calculations, but also predict well the relative stability of different interstitial dislocation loops in W, as reported in experiments. These potentials are applicable for describing the evolution of defects in W and W-Re alloys, thus providing a possibility for the detailed understanding of the precipitation mechanism of Re in W under irradiation. (c) 2018 Elsevier B.V. All rights reserved. |
| WOS关键词 | NEUTRON-IRRADIATED TUNGSTEN ; EMBEDDED-ATOM POTENTIALS ; AB-INITIO ; MICROSTRUCTURAL DEVELOPMENT ; TRANSITION-METALS ; PROBE TOMOGRAPHY ; FUSION-REACTORS ; RHENIUM ALLOYS ; HCP METALS ; 1ST-PRINCIPLES |
| 资助项目 | National Natural Science Foundation of China[51771073] ; National Natural Science Foundation of China[11675230] ; National Natural Science Foundation of China[11675011] ; National Natural Science Foundation of China[11375242] |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| 语种 | 英语 |
| WOS记录号 | WOS:000427676700016 |
| 出版者 | ELSEVIER SCIENCE BV |
| 资助机构 | National Natural Science Foundation of China |
| 源URL | [http://119.78.100.186/handle/113462/47396]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Gao, Ning; Deng, Huiqiu |
| 作者单位 | 1.Hunan Univ, Dept Appl Phys, Sch Phys & Elect, Changsha 410082, Hunan, Peoples R China 2.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China 3.Beihang Univ, Dept Phys, Beijing 100191, Peoples R China 4.Chinese Acad Sci, Inst Modern Phys, Lab Adv Nucl Mat, Lanzhou 730000, Gansu, Peoples R China 5.Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA |
| 推荐引用方式 GB/T 7714 | Chen, Yangchun,Li, Yu-Hao,Gao, Ning,et al. New interatomic potentials of W, Re and W-Re alloy for radiation defects[J]. JOURNAL OF NUCLEAR MATERIALS,2018,502:141-153. |
| APA | Chen, Yangchun.,Li, Yu-Hao.,Gao, Ning.,Zhou, Hong-Bo.,Hu, Wangyu.,...&Deng, Huiqiu.(2018).New interatomic potentials of W, Re and W-Re alloy for radiation defects.JOURNAL OF NUCLEAR MATERIALS,502,141-153. |
| MLA | Chen, Yangchun,et al."New interatomic potentials of W, Re and W-Re alloy for radiation defects".JOURNAL OF NUCLEAR MATERIALS 502(2018):141-153. |
入库方式： OAI收割
来源：近代物理研究所
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