Molecular dynamics simulation of irradiation damage of sic/gra/sic composites
文献类型：期刊论文
| 作者 | Zhang, Chao1; Song, Huai-Zhi1; Mao, Fei2; Wang, Cheng-Jun1; Wang, Dong-Qi3; Zhang, Feng-Shou4,5 |
| 刊名 | Nuclear instruments & methods in physics research section b-beam interactions with materials and atoms
 |
| 出版日期 | 2017-09-01 |
| 卷号 | 406页码:470-474 |
| ISSN号 | 0168-583X |
| 关键词 | Irradiation damage Sic composites Interphase Electronic excitation effect Two-temperature model |
| DOI | 10.1016/j.nimb.2017.04.068 |
| 通讯作者 | Zhang, chao(chaozhang@mail.bnu.edu.cn) ; Wang, dong-qi(dwang@ihep.ac.cn) |
| 英文摘要 | Silicon carbide fiber-reinforced silicon carbide matrix composites have been investigated for their use as structural materials for advanced nuclear reactor. although quite a number of researches have been devoted to probe the effects of irradiation on various properties of the composites, there is little known about the atomistic mechanism for irradiation resistance. in this study, a two-temperature model has been used to investigate the irradiation damage of sic/gra/sic composites, which includes three parts and two sic/c interfaces, two single crystal cubic silicon carbide on two sides and a few graphene sheets in the middle part. by simulating 100 kev displacement cascades, we find that the number of defects in the reinforcement is larger than that in the matrix, which indicates the damage in the reinforcement is more serious than that in the matrix. moreover, we explicitly investigate the damage behavior of the interphase graphene layers and find that some atoms in one graphene sheet form many new chemical bonds with atoms in another one, which leads to the transition from sp(2) to sp(3) hybridization. the newly formed chemical bonds link the different graphene layers and make graphene-like electronic structure more "diamond-like", enhancing the irradiation resistance of the matrix. (c) 2017 elsevier b.v. all rights reserved. |
| WOS关键词 | SIC/SIC COMPOSITES ; ENSEMBLE |
| WOS研究方向 | Instruments & Instrumentation ; Nuclear Science & Technology ; Physics |
| WOS类目 | Instruments & Instrumentation ; Nuclear Science & Technology ; Physics, Atomic, Molecular & Chemical ; Physics, Nuclear |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| WOS记录号 | WOS:000407659500014 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2176939 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Zhang, Chao; Wang, Dong-Qi |
| 作者单位 | 1.Anhui Univ Sci & Technol, Sch Mat Sci & Engn, Huainan 232001, Peoples R China 2.Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Peoples R China 3.Chinese Acad Sci, Inst High Energy Phys, Multidisciplinary Initiat Ctr, Beijing 100049, Peoples R China 4.Beijing Normal Univ, Coll Nucl Sci & Technol, Minist Educ, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China 5.Beijing Radiat Ctr, Beijing 100875, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Chao,Song, Huai-Zhi,Mao, Fei,et al. Molecular dynamics simulation of irradiation damage of sic/gra/sic composites[J]. Nuclear instruments & methods in physics research section b-beam interactions with materials and atoms,2017,406:470-474. |
| APA | Zhang, Chao,Song, Huai-Zhi,Mao, Fei,Wang, Cheng-Jun,Wang, Dong-Qi,&Zhang, Feng-Shou.(2017).Molecular dynamics simulation of irradiation damage of sic/gra/sic composites.Nuclear instruments & methods in physics research section b-beam interactions with materials and atoms,406,470-474. |
| MLA | Zhang, Chao,et al."Molecular dynamics simulation of irradiation damage of sic/gra/sic composites".Nuclear instruments & methods in physics research section b-beam interactions with materials and atoms 406(2017):470-474. |
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