Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite
文献类型：期刊论文
| 作者 | Zhang, Siyan1,2; Liu, Mei1,2; Luo, Yixiu2; Sun, Luchao2; Wang, Jiemin2; Wang, Jingyang2 |
| 刊名 | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
 |
| 出版日期 | 2022-10-01 |
| 卷号 | 42期号:13页码:5323-5333 |
| 关键词 | Ab Initio molecular dynamics (AIMD) Si-doped h-BN Ceramic matrix composites (CMCs) Interphase |
| ISSN号 | 0955-2219 |
| DOI | 10.1016/j.jeurceramsoc.2022.06.074 |
| 通讯作者 | Wang, Jiemin(jieminwang@imr.ac.cn) ; Wang, Jingyang(jywang@imr.ac.cn) |
| 英文摘要 | To predict the effects of Si doping on hexagonal boron nitride (h-BN) and to achieve a balance between me-chanical and oxidation properties for the interphase modification in SiCf/SiC composites, we herein calculate and analyze the crystal structures and mechanical properties of (BN)(64)Si-x (x = 4, 8, 16, 32) models by means of density functional theory (DFT) calculations and ab initio molecular dynamics (aiMD) simulations. The possible trends of crack deflection and self-healing ability are discussed. The modeling shows an obvious transition of (BN)(64)Six from the layered crystal structure and anisotropic mechanical property to amorphous structure and isotropic mechanical property as the Si doping content up to 36.1 wt%. Regarding to the application of inter -phase in SiCf/SiC composites, (BN)(64)Si-16 model structure possess the highest debonding potential according to Cook and Gordon's criteria and illustrates the higher self-healing capacity at elevated temperature. |
| 资助项目 | National Key R & D Program of China[2017YFB0703201] ; Natural National Science Founda- tion of China[51772302] ; CAS International Cooperation Key Program[174321KYSB20180008] ; LiaoNing Revitalization Talents Program[XLYC2002018] |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000831932000003 |
| 出版者 | ELSEVIER SCI LTD |
| 资助机构 | National Key R & D Program of China ; Natural National Science Founda- tion of China ; CAS International Cooperation Key Program ; LiaoNing Revitalization Talents Program |
| 源URL | [http://ir.imr.ac.cn/handle/321006/174584]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wang, Jiemin; Wang, Jingyang |
| 作者单位 | 1.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Siyan,Liu, Mei,Luo, Yixiu,et al. Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite[J]. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,2022,42(13):5323-5333. |
| APA | Zhang, Siyan,Liu, Mei,Luo, Yixiu,Sun, Luchao,Wang, Jiemin,&Wang, Jingyang.(2022).Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite.JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,42(13),5323-5333. |
| MLA | Zhang, Siyan,et al."Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite".JOURNAL OF THE EUROPEAN CERAMIC SOCIETY 42.13(2022):5323-5333. |
入库方式： OAI收割
来源：金属研究所
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