Article

Arhive, 2014, № 5

Thermophysical Properties of Materials

2014. V. 52. № 5. P. 633–639

Galashev A.E.

Computer simulation of the thermal stability of nickel films on two-layer graphene

The structure and the dynamic and mechanical properties of monolayer nickel films deposited on two-layer graphene have been studied in the temperature range $300 \le T \le 3300$ K by the molecular dynamics method. A part of the $\text{Ni}$ 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.

Article reference:
Galashev A.E. Computer simulation of the thermal stability of nickel films on two-layer graphene, High Temp., 2014. V. 52. № 5. P. 633