Interaction of irradiation-induced point defects with transmutants (H, He, Li, Be, B, Mg, Al and P) in 3C-SiC ceramics
文献类型：期刊论文
| 作者 | Sun, Jingjing1; You, Yu-Wei2; Xu, Yichun3 ; Wu, Xuebang3; Li, B. S.4; Liu, C. S.3
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| 刊名 | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
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| 出版日期 | 2020-12-01 |
| 卷号 | 40 |
| 关键词 | Cubic silicon carbide Point defect Structural materials Transmutants Ab initio calculations |
| ISSN号 | 0955-2219 |
| DOI | 10.1016/j.jeurceramsoc.2020.05.041 |
| 通讯作者 | Sun, Jingjing(sj1993@mail.ustc.edu.cn) |
| 英文摘要 | Cubic silicon carbide (3C-SiC) ceramics are one of the most promising candidates for structural materials in future fusion reactors. In a fusion environment, irradiation of high-energy neutrons induces a large number of point defects and many transmutants (H, He, Li, Be, B, Mg, Al and P). The interaction of irradiation-induced point defects with the transmutants affects the evolution of micro structure in 3C-SiC, however, the micro processes are still mysterious. In this work, we carry out systematical ab initio calculations concerning the interaction of irradiation-induced point defects with the transmutants in 3C-SiC. It is found that Li and Be atoms prefer to occupy the tetrahedral interstitial site surrounding by four carbon atoms. B atom is favorable to occupy the substitutional site of carbon, while Mg, Al, and P atoms prefer to occupy the substitutional site of silicon. Moreover, only B, Mg and Al pairs have positive binding energies, which suggests that B, Mg, and Al pairs tend to segregate and form clusters at substitutional sites. Vacancy and self-interstitial atom can act as trapping centers for transmutants, especially for Mg. The electron density and the volume difference are analyzed to understand the underlying reasons controlling the interaction of point defects with transmutants. |
| WOS关键词 | HELIUM-BUBBLE FORMATION ; SICF/SIC COMPOSITES ; DOSE DEPENDENCE ; HYDROGEN ; IMPLANTATION ; EVOLUTION ; BEHAVIOR ; ION ; TEMPERATURE ; STABILITY |
| 资助项目 | National Key Research and Development Program of China[2017YFE0302400] ; National Natural Science Foundation of China[U1832133] ; National Natural Science Foundation of China[51671185] ; Science and Technology on Surface Physics and Chemistry Laboratory[02020517] |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000564244200005 |
| 出版者 | ELSEVIER SCI LTD |
| 资助机构 | National Key Research and Development Program of China ; National Natural Science Foundation of China ; Science and Technology on Surface Physics and Chemistry Laboratory |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/70436]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Sun, Jingjing |
| 作者单位 | 1.Zhongyuan Univ Technol, Coll Sci, Zhengzhou 450007, Peoples R China 2.Anhui Jianzhu Univ, Sch Math & Phys, Hefei 230601, Peoples R China 3.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, POB 1129, Hefei 230031, Peoples R China 4.Southwest Univ Sci & Technol, State Key Lab Environm Friendly Energy Mat, Mianyang 621010, Sichuan, Peoples R China |
| 推荐引用方式 GB/T 7714 | Sun, Jingjing,You, Yu-Wei,Xu, Yichun,et al. Interaction of irradiation-induced point defects with transmutants (H, He, Li, Be, B, Mg, Al and P) in 3C-SiC ceramics[J]. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,2020,40. |
| APA | Sun, Jingjing,You, Yu-Wei,Xu, Yichun,Wu, Xuebang,Li, B. S.,&Liu, C. S..(2020).Interaction of irradiation-induced point defects with transmutants (H, He, Li, Be, B, Mg, Al and P) in 3C-SiC ceramics.JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,40. |
| MLA | Sun, Jingjing,et al."Interaction of irradiation-induced point defects with transmutants (H, He, Li, Be, B, Mg, Al and P) in 3C-SiC ceramics".JOURNAL OF THE EUROPEAN CERAMIC SOCIETY 40(2020). |
入库方式： OAI收割
来源：合肥物质科学研究院
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