Molecular dynamics study of the mechanical properties and deformation behavior of graphene/metal composites

LR Safina and KA Krylova and JA Baimova, MATERIALS TODAY PHYSICS, 28, 100851 (2022).

DOI: 10.1016/j.mtphys.2022.100851

Graphene-metals composites are novel structures with improved properties intensively studied in the last de-cades. In this work, the results of molecular dynamics simulation of the fabrication, deformation behavior, and mechanical properties of composites based on crumpled graphene filled with metal (nickel and copper) nano -particles are presented. It is found that exposure followed by hydrostatic compression at 1000 K is an efficient way to obtain composite materials. Composite based on crumpled graphene and Cu nanoparticles shows better mechanical properties than composite with Ni nanoparticles. This can be explained by the fact that copper nanoparticles at elevated temperatures melt earlier than Ni nanoparticles, which contributes to easier defor-mation of graphene flakes and the formation of new chemical bonds in the graphene matrix. However, it is important to note that both composites withstand considerable deformation under uniaxial tension. The results obtained contribute to a better understanding of the processes of formation, deformation behavior, and me-chanical properties of composites based on crumpled graphene and metal nanoparticles.

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