Numerical simulation of heating an aluminum film on two-layer graphene

Abstract

The behavior of a monolayer aluminum film on two-layer graphene upon heating from 300 to 3300 K was studied by the molecular dynamics method. A stretched film is nonuniformly contracted with an increase in temperature. Aluminum atoms remain on graphene even at 3300 K. Heating reduces stresses in the film plane. Upon heating to 3000 K, the long-range order in graphene is transformed into the mid-range one. The increase in the intensity of vertical displacements of C atoms in one graphene sheet (caused by an increase in temperature) generally reduces the corresponding intensity in the other sheet, whereas the horizontal components of mobility, with few exceptions, behave similarly. Upon heating, stresses in the upper graphene sheet decrease with different rates for different directions.