Molecular Dynamics Simulations of Graphite-Vinylester Nanocomposites and Their Constituents
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서지정보
ㆍ발행기관 : 한국탄소학회
ㆍ수록지정보 : Carbon Letters / 11권 / 4호
ㆍ저자명 : H. Alkhateb, A. Al-Ostaz, A. H.-D. Cheng
ㆍ저자명 : H. Alkhateb, A. Al-Ostaz, A. H.-D. Cheng
목차
1. Introduction2. Simulation of Graphene Platelet Composites Using Molecular Dynamics
3. Results
4. Conclusions
Acknowledgement
References
한국어 초록
The effects of geometrical parameters on mechanical properties of graphite-vinylester nanocomposites and their constituents(matrix, reinforcement and interface) are studied using molecular dynamics (MD) simulations. Young’s modulii of 1.3 TPa and
1.16 TPa are obtained for graphene layer and for graphite layers respectively. Interfacial shear strength resulting from the
molecular dynamic (MD) simulations for graphene-vinylester is found to be 256 MPa compared to 126 MPa for graphitevinylester.
MD simulations prove that exfoliation improves mechanical properties of graphite nanoplatelet vinylester
nanocomposites. Also, the effects of bromination on the mechanical properties of vinylester and interfacial strength of the
graphene–brominated vinylester nanocomposites are investigated. MD simulation revealed that, although there is minimal effect
of bromination on mechanical properties of pure vinylester, bromination tends to enhance interfacial shear strength between
graphite–brominated vinylester/graphene-brominated vinylester in a considerable magnitude.
영어 초록
The effects of geometrical parameters on mechanical properties of graphite-vinylester nanocomposites and their constituents(matrix, reinforcement and interface) are studied using molecular dynamics (MD) simulations. Young’s modulii of 1.3 TPa and1.16 TPa are obtained for graphene layer and for graphite layers respectively. Interfacial shear strength resulting from themolecular dynamic (MD) simulations for graphene-vinylester is found to be 256 MPa compared to 126 MPa for graphitevinylester.MD simulations prove that exfoliation improves mechanical properties of graphite nanoplatelet vinylesternanocomposites. Also, the effects of bromination on the mechanical properties of vinylester and interfacial strength of thegraphene–brominated vinylester nanocomposites are investigated. MD simulation revealed that, although there is minimal effectof bromination on mechanical properties of pure vinylester, bromination tends to enhance interfacial shear strength betweengraphite–brominated vinylester/graphene-brominated vinylester in a considerable magnitude.참고 자료
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