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 1.3TPa and1.16TPa 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 256MPa compared to 126MPa for graphite-vinylester. 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.

• H. Alkhateb(Nano Infrastructure Group, The University of Mississippi, University)
• A. Al-Ostaz(Nano Infrastructure Group, The University of Mississippi, University)
• A.H.D. Cheng(Nano Infrastructure Group, The University of Mississippi, University)