中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 过程工程研究所
  3. 中国科学院过程工程研究所
Molecular dynamics simulation of the interface properties of continuous carbon fiber/polyimide composites

文献类型：期刊论文

作者Yan, Yishu1,2; Xu, Junbo1; Zhu, Huajian1,3; Xu, Yinxiang1; Wang, Min4; Wang, Bingyin4; Yang, Chao1,2
刊名APPLIED SURFACE SCIENCE
出版日期2021-10-15
卷号563页码:11
关键词Polymer-matrix composites Fibre/matrix bond Computational modelling Microstructural analysis
ISSN号0169-4332
DOI10.1016/j.apsusc.2021.150370
英文摘要The resin-fiber interface is pivotal to the performance of composites. Molecular dynamics simulations were used to study the relationship between interface structure and interface mechanical properties of carbon fiber/polyimide composites. The rationality of the models and the polymer consistent force field were verified by the glass transition temperature, the density of polyimide and the pull-out test. It was found that the interfacial shear strength (IFSS) with grafted functional groups was greatly intensified with the order of -C6H5 > -COOH > -CH3 > -OH > -NH2. The IFSS increased linearly with the increasing number of grafted groups. Grafted polyimide monomers can intensify interfacial performance more effectively. We also calculated the interaction energy by density functional theory method and the surface roughness to reveal the enhancement mechanism of the interface, which is the synergistic effect of the non-bond interaction and surface roughness.
WOS关键词FUNCTIONALIZED GRAPHENE SHEETS ; STONE-WALES DEFECTS ; MECHANICAL-PROPERTIES ; NANOTUBE/POLYPROPYLENE COMPOSITES ; BONDING CHARACTERISTICS ; SURFACE MODIFICATION ; ELASTIC PROPERTIES ; FIBER YARNS ; POLYMER ; NANOTUBES
资助项目National Natural Science Foundation of China[22035007] ; National Natural Science Foundation of China[91934301] ; National Natural Science Foundation of China[21878298] ; DNL Cooper-ation Fund, CAS[DNL201902] ; External Cooperation Program of BIC, Chinese Academy of Sciences[122111KYSB20190032] ; Chemistry and Chemical Engineering Guangdong Laboratory, Shantou[1922006]
WOS研究方向Chemistry ; Materials Science ; Physics
语种英语
WOS记录号WOS:000691469200002
出版者ELSEVIER
资助机构National Natural Science Foundation of China ; DNL Cooper-ation Fund, CAS ; External Cooperation Program of BIC, Chinese Academy of Sciences ; Chemistry and Chemical Engineering Guangdong Laboratory, Shantou
源URL[http://ir.ipe.ac.cn/handle/122111/50059]  
专题中国科学院过程工程研究所
通讯作者Xu, Junbo; Yang, Chao
作者单位1.Chinese Acad Sci, Inst Proc Engn, CAS Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Chem Engn, Beijing 100049, Peoples R China
3.Nanjing Tech Univ, Coll Chem Engn, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Peoples R China
4.Dynam Machinery Inst Inner Mongolia, Hohhot 010010, Peoples R China
推荐引用方式
GB/T 7714		 Yan, Yishu,Xu, Junbo,Zhu, Huajian,et al. Molecular dynamics simulation of the interface properties of continuous carbon fiber/polyimide composites[J]. APPLIED SURFACE SCIENCE,2021,563:11.
APA Yan, Yishu.,Xu, Junbo.,Zhu, Huajian.,Xu, Yinxiang.,Wang, Min.,...&Yang, Chao.(2021).Molecular dynamics simulation of the interface properties of continuous carbon fiber/polyimide composites.APPLIED SURFACE SCIENCE,563,11.
MLA Yan, Yishu,et al."Molecular dynamics simulation of the interface properties of continuous carbon fiber/polyimide composites".APPLIED SURFACE SCIENCE 563(2021):11.

入库方式： OAI收割

来源：过程工程研究所

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。