Molecular dynamic simulations of the heat transfer in double-layered graphene/silicene nanosheets

H Pourmirzaagha and S Rouhi, PHYSICA B-CONDENSED MATTER, 666, 415079 (2023).

DOI: 10.1016/j.physb.2023.415079

Using molecular dynamics simulations, the heat transfer characteristics of the double-layered graphene/silicene nanosheets are investigated. Fourier's heat transfer equation is used to compute the thermal conductivity coefficient. Armchair and zigzag nanosheets are modeled to investigate the effect of the atomic structure on the thermal conductivity coefficient. Furthermore, considering the nanosheets with different lengths, the length effect on the thermal conductivity coefficient of silcene/graphene double-layered nanosheets is evaluated. It is observed that the zigzag double-layered graphene/silicene nanosheets have larger thermal conductivity coefficient than the armchair ones with the same dimensions. Finally, considering the temperature in the range of 200-700K, the effect of the temperature on the thermal conductivity coefficient of silcene/graphene doublelayered nanosheets is studied. It is seen that the thermal conductivity coefficient increases by increasing the temperature at small temperatures. However, it reduces at large temperature.

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