| Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite | |
| Zhang, Siyan1,2; Liu, Mei1,2; Luo, Yixiu1; Sun, Luchao1; Wang, Jiemin1; Wang, Jingyang1 | |
| Corresponding Author | Wang, Jiemin(jieminwang@imr.ac.cn) ; Wang, Jingyang(jywang@imr.ac.cn) |
| 2022-10-01 | |
| Source Publication | JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
 |
| ISSN | 0955-2219 |
| Volume | 42Issue:13Pages:5323-5333 |
| Abstract | 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. |
| Keyword | Ab Initio molecular dynamics (AIMD) Si-doped h-BN Ceramic matrix composites (CMCs) Interphase |
| Funding Organization | National Key R & D Program of China ; Natural National Science Founda- tion of China ; CAS International Cooperation Key Program ; LiaoNing Revitalization Talents Program |
| DOI | 10.1016/j.jeurceramsoc.2022.06.074 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 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 Research Area | Materials Science |
| WOS Subject | Materials Science, Ceramics |
| WOS ID | WOS:000831932000003 |
| Publisher | ELSEVIER SCI LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/174585 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wang, Jiemin; Wang, Jingyang |
| Affiliation | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China |
| Recommended Citation 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. |
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