The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations
文献类型：期刊论文
| 作者 | Chen, Yangchun7; Fang, Jingzhong7; Liu, Lixia4; Hu, Wangyu4; Jiang, Chao5; Gao, Ning1,6; Zhou, Hong-Bo2; Lu, Guang-Hong2; Gao, Fei3,4; Deng, Huiqiu7 |
| 刊名 | JOURNAL OF NUCLEAR MATERIALS
 |
| 出版日期 | 2019-08-15 |
| 卷号 | 522页码:200-211 |
| 关键词 | Tungsten Rhenium Defects Molecular dynamics simulation |
| ISSN号 | 0022-3115 |
| DOI | 10.1016/j.jnucmat.2019.05.003 |
| 通讯作者 | Gao, Ning(ning.gao@impcas.ac.cn) ; Deng, Huiqiu(hqdeng@hnu.edu.cn) |
| 英文摘要 | Tungsten (W) and W-based alloys are the leading candidates for plasma-facing materials (PFMs) in future fusion reactors. However, the high energy neutrons generated in fusion reactions not only result in cascade damages but also cause W transmutation. Both the irradiation defects and transmutation products, mainly rhenium (Re), have serious effects on the service behaviors of W PFMs. In this work, we have systematically investigated the interaction between Re and the self-interstitial atoms, self-interstitial clusters and 112<111> interstitial dislocation loops in bulk W using molecular dynamics and statics simulations. It is found that there is a strong attractive interaction between an interstitial W atom and a substitutional Re atom, forming a Re-W dumbbell that migrates 3-dimentionally due to the low migration and rotation energies. The small SIA clusters strongly bind with both the substitutional Re atoms and an interstitial Re atom (Re-W mixed dumbbell), thus decreasing the mobility of these clusters. The strong attractive interaction between a Re atom and a 112<111> interstitial dislocation loop occurs when the Re atom is located at the core of the loop, and also, their interaction distance along <111> direction is large. The mobility of the 112<111> interstitial dislocation loop decreases progressively with increasing Re concentration. (C) 2019 Elsevier B.V. All rights reserved. |
| WOS关键词 | ATOM-PROBE TOMOGRAPHY ; W-RE ; DISLOCATION LOOPS ; MICROSTRUCTURAL DEVELOPMENT ; TEMPERATURE-DEPENDENCE ; INTERATOMIC POTENTIALS ; NEUTRON-IRRADIATION ; CLUSTERS ; ALLOYS ; 1ST-PRINCIPLES |
| 资助项目 | National MCF Energy RD Program[2018YFE0308100] ; National Key R&D Program of China[2018YFB0704002] ; National Natural Science Foundation of China[51771073] ; National Natural Science Foundation of China[11675011] ; National Natural Science Foundation of China[11675230] ; National Natural Science Foundation of China[11375242] ; Youth Innovation Promotion Association CAS |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| 语种 | 英语 |
| WOS记录号 | WOS:000471261500021 |
| 出版者 | ELSEVIER SCIENCE BV |
| 资助机构 | National MCF Energy RD Program ; National Key R&D Program of China ; National Natural Science Foundation of China ; Youth Innovation Promotion Association CAS |
| 源URL | [http://119.78.100.186/handle/113462/133172]  |
| 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.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China 2.Beihang Univ, Dept Phys, Beijing 100191, Peoples R China 3.Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA 4.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China 5.Hunan Univ, Coll Mech & Vehicle Engn, Changsha 410082, Hunan, Peoples R China 6.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China 7.Hunan Univ, Sch Phys & Elect, Changsha 410082, Hunan, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Yangchun,Fang, Jingzhong,Liu, Lixia,et al. The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations[J]. JOURNAL OF NUCLEAR MATERIALS,2019,522:200-211. |
| APA | Chen, Yangchun.,Fang, Jingzhong.,Liu, Lixia.,Hu, Wangyu.,Jiang, Chao.,...&Deng, Huiqiu.(2019).The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations.JOURNAL OF NUCLEAR MATERIALS,522,200-211. |
| MLA | Chen, Yangchun,et al."The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations".JOURNAL OF NUCLEAR MATERIALS 522(2019):200-211. |
入库方式： OAI收割
来源：近代物理研究所
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