Computer Simulation of the Thermal Stability of Nickel Filmson Two-Layer Graphene

High Temperature, 2014, Vol. 52, No. 5, pp. 633–639. © Pleiades Publishing, Ltd., 2014.

Original Russian Text © A.E. Galashev, 2014, published in Teplofizika Vysokikh Temperatur, 2014, Vol. 52, No. 5, pp. 670–676.

A. E. Galashev

Abstract—The structure and the dynamic and mechanical properties of monolayer nickel films deposited ontwo-layer graphene are studied in the temperature range 300 <T < 3300 K by the molecular-dynamics method. A part of the Ni atoms remains on the graphene sheet even at T = 3300 K for both one-and two- sided coatings. The radial distribution functions of the upper and lower metal films differ significantly even at T = 300 K. The temperature dependence of the horizontal and vertical components of the self-diffusion coefficient of a one-sided nickel film exhibits a jump above 1800 K. No similar specific feature was observed for a two-sided coating of graphene with this film. The stress components acting in the nickel-film plane disappear with an increase in temperature for a shorter time in the case of one-sided coating.

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