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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 AuthorWang, Jiemin(jieminwang@imr.ac.cn) ; Wang, Jingyang(jywang@imr.ac.cn)
2022-10-01
Source PublicationJOURNAL OF THE EUROPEAN CERAMIC SOCIETY
ISSN0955-2219
Volume42Issue:13Pages:5323-5333
AbstractTo 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.
KeywordAb Initio molecular dynamics (AIMD) Si-doped h-BN Ceramic matrix composites (CMCs) Interphase
Funding OrganizationNational Key R & D Program of China ; Natural National Science Founda- tion of China ; CAS International Cooperation Key Program ; LiaoNing Revitalization Talents Program
DOI10.1016/j.jeurceramsoc.2022.06.074
Indexed BySCI
Language英语
Funding ProjectNational 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 AreaMaterials Science
WOS SubjectMaterials Science, Ceramics
WOS IDWOS:000831932000003
PublisherELSEVIER SCI LTD
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/174585
Collection中国科学院金属研究所
Corresponding AuthorWang, Jiemin; Wang, Jingyang
Affiliation1.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
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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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