Knowledge Management System Of Institute of process engineering,CAS
| Molecular dynamics simulation of the interface properties of continuous carbon fiber/polyimide composites | |
| Yan, Yishu1,2; Xu, Junbo1; Zhu, Huajian1,3; Xu, Yinxiang1; Wang, Min4; Wang, Bingyin4; Yang, Chao1,2 | |
| 2021-10-15 | |
| Source Publication | APPLIED SURFACE SCIENCE
 |
| ISSN | 0169-4332 |
| Volume | 563Pages:11 |
| Abstract | 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. |
| Keyword | Polymer-matrix composites Fibre/matrix bond Computational modelling Microstructural analysis |
| DOI | 10.1016/j.apsusc.2021.150370 |
| Language | 英语 |
| WOS Keyword | FUNCTIONALIZED GRAPHENE SHEETS ; STONE-WALES DEFECTS ; MECHANICAL-PROPERTIES ; NANOTUBE/POLYPROPYLENE COMPOSITES ; BONDING CHARACTERISTICS ; SURFACE MODIFICATION ; ELASTIC PROPERTIES ; FIBER YARNS ; POLYMER ; NANOTUBES |
| Funding Project | 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 Research Area | Chemistry ; Materials Science ; Physics |
| WOS Subject | Chemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter |
| Funding Organization | 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 |
| WOS ID | WOS:000691469200002 |
| Publisher | ELSEVIER |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/50060 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Xu, Junbo; Yang, Chao |
| Affiliation | 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 |
| Recommended Citation 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. |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment