• 文献标题:   Multiscale modelling of graphene sheet and its application in laminated composites
  • 文献类型:   Article
  • 作  者:   WANG Y, NIU KM, WU Y
  • 作者关键词:   coarsegrained, md simulation, mechanical propertie, graphene, metal composite
  • 出版物名称:   COMPOSITE STRUCTURES
  • ISSN:   0263-8223 EI 1879-1085
  • 通讯作者地址:  
  • 被引频次:   7
  • DOI:   10.1016/j.compstruct.2021.114416 EA AUG 2021
  • 出版年:   2021

▎ 摘  要

Multiscale modeling strategy development of graphene and its composites is of critical importance in engineering and technological applications. In this work, we systematically developed a chirality preserved coarsegrained graphene model and the corresponding potential, TersoffCG(16-1). The robustness of this potential is verified through structural and mechanical characterization analysis comparison between coarse-grained and all-atomistic models. The Lennard-Jones potential is emphasized to adjust the interlayer properties of the interlayer distance and binding energy. Furthermore, in-plane properties of multilayer graphene assembly tensile and monolayer graphene crack, and out-of-plane properties of nanoindentation are fully analyzed. The copper/graphene nanocomposite tensile test indicated that the coarse-grained graphene model is compatible with the copper matrix. Our efficient and portable coarse-grained graphene model successfully reproduced the architectural parameters, elastic, fracture, and interlayer adhesion properties of graphene sheets compare with the reported experiment and theoretical results, which can serve as an effective strategy to research more hybrid composite systems.