Towards the dependence of radiation damage on the grain boundary character and grain size in tungsten: A combined study of molecular statics and rate theory
文献类型：期刊论文
| 作者 | Li, Xiaolin1,2; Wang, Yuxuan1,2; Zhang, Yange1; Xu, Yichun1 ; Li, Xiang-Yan1; Wang, Xianping1; Fang, Q. F.1; Wu, Xuebang1; Liu, C. S.1
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| 刊名 | JOURNAL OF NUCLEAR MATERIALS
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| 出版日期 | 2022-05-01 |
| 卷号 | 563 |
| ISSN号 | 0022-3115 |
| 关键词 | Radiation damage Nanocrystal Grain size refinement Grain boundary character Rate theory |
| DOI | 10.1016/j.jnucmat.2022.153637 |
| 通讯作者 | Li, Xiang-Yan(xiangyanli@issp.ac.cn) ; Wu, Xuebang(xbwu@issp.ac.cn) |
| 英文摘要 | Grain boundary (GB) character and radiation conditions restrict the in-depth understanding of the effectiveness of tailoring grain size in controlling the radiation damage and promoting the radiation resistance of materials. Here, we constructed 46 [0 0 1] W symmetric tilt GBs with tilt angle varying from 6.73 degrees to 82.37 degrees Then, molecular statics (MS) was used to investigate the impact of GB character (tilt angle, GB energy, E) on the defect energetics. The present results suggested that it is energetically favorable for Vs/SIAs to segregate into the GB and GBs have the biased absorption of SIAs over Vs. Some high-angle and high-energy GBs could provide larger energetic driving force for the V/SIA to segregate. Multiple Vs/SIAs tended to be bound together inside the GB, with a varying binding strength. Using steady-state rate theory (RT) calculations, we explored the Vs accumulation in the W systems with different grain sizes (50-1000 nm) under the typical radiation conditions of temperature (300-1800 K) and dose rate (10(-8)-10(2) dpa/s). In particular, based on the results of MS calculations, the effect of GB character on the Vs accumulation was examined by varying V segregation energies (0.99-2.04 eV). In the process, two extreme values (2.04 and 0.99 eV) of V segregation energy were extracted to investigate its impact, with other values being in this range. The results suggested that nanocrystalline (NC) W would exhibit better radiation tolerance than coarse-grained (CG) W under the conditions of a relatively high temperature and low dose rate. A high V segregation energy led to a low damage accumulation in the grain interior. Some high-angle and high-energy GBs with a large V segregation energy and a small V-V binding energy were expected to improve the radiation resistance of NC. (C)& nbsp;2022 Elsevier B.V. All rights reserved. |
| WOS关键词 | IN-SITU TEM ; NANOCRYSTALLINE TUNGSTEN ; IRRADIATION RESISTANCE ; TEMPERATURE ; SEGREGATION ; EVOLUTION ; ULTRAFINE ; DYNAMICS ; DEFECTS ; NEUTRON |
| 资助项目 | National Key Research and Development Program of China[2017YFE0302400] ; National Key Research and Development Program of China[2017YFA0402800] ; National Natural Science Foundation of China[12192282] ; National Natural Science Foundation of China[11735015] ; National Natural Science Foundation of China[51871207] ; National Natural Science Foundation of China[52071314] ; National Natural Science Foundation of China[51771181] ; National Natural Science Foundation of China[U1832206] ; National Natural Science Foundation of China[U1967211] ; National Natural Science Foundation of China[51971212] ; Center for Computation Science, Hefei Institutes of Physical Sciences |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000791202300006 |
| 资助机构 | National Key Research and Development Program of China ; National Natural Science Foundation of China ; Center for Computation Science, Hefei Institutes of Physical Sciences |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/131529]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Li, Xiang-Yan; Wu, Xuebang |
| 作者单位 | 1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Peoples R China |
| 推荐引用方式 GB/T 7714 |
Li, Xiaolin,Wang, Yuxuan,Zhang, Yange,et al. Towards the dependence of radiation damage on the grain boundary character and grain size in tungsten: A combined study of molecular statics and rate theory [J]. JOURNAL OF NUCLEAR MATERIALS,2022,563. |
| APA |
Li, Xiaolin.,Wang, Yuxuan.,Zhang, Yange.,Xu, Yichun.,Li, Xiang-Yan.,...&Liu, C. S..(2022). Towards the dependence of radiation damage on the grain boundary character and grain size in tungsten: A combined study of molecular statics and rate theory .JOURNAL OF NUCLEAR MATERIALS,563. |
| MLA |
Li, Xiaolin,et al." Towards the dependence of radiation damage on the grain boundary character and grain size in tungsten: A combined study of molecular statics and rate theory ".JOURNAL OF NUCLEAR MATERIALS 563(2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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