Studying of graphene-nickel composite by molecular dynamics method
Liliya R. Safina, Ufa State Petroleum Technological University, Julia A. Baimova, Institute for Metals Superplasticity Problems of the Russian Academy of Sciences, Ufa; Bashkir State University, Ufa
Abstract
Composites based on graphene and nickel are of great interest nowadays and demonstrate excellent mechanical and functional properties to various applications, for example, the automotive and aerospace industries. In this work, molecular dynamics simulation is used to study the formation of a nickel-graphene composite under hydrostatic compression. Crumpled graphene – the network of folded and crumpled graphene flakes connected by van-der-Waals bonds – is chosen as the matrix for Ni nanoclusters with the size from 21 to 78 atoms. It is found that simple hydrostatic compression at zero or room temperature cannot lead to the formation of composite structure. Even strongly compressed crumpled graphene after unloading returned to the state of separated graphene flakes. It is shown, that high-temperature compression can be effectively used for the fabrication of the graphene-Ni composite with improved mechanical properties. It is found, that size of the nanocluster considerably affects the formation of the composite.
Speaker
Liliya R. Safina
Ufa State Petroleum Technological University
Russia
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