Numerical Simulation of Heating an Aluminum Film on Two-Layer Graphene

High Temperature, 2014, Vol. 52, No. 3, pp. 374–380. © Pleiades Publishing, Ltd., 2014.

Original Russian Text © A.E. Galashev, O.R. Rakhmanova, 2014, published in Teplofizika Vysokikh Temperatur, 2014, Vol. 52, No. 3, pp. 385–391.

A. E. Galashev and O. R. Rakhmanova

Abstract—The behavior of a monolayer aluminum film on two-layer graphene upon heating from 300 to 3300 Kwas 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 longrange order in graphene is transformed into the midrange 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.

/2014/HTMP374.pdf