Document Type: Original Article
Department of Mechanical Engineering, Langarud Branch, Islamic Azad University, Langarud, Iran
Department of Mechanical Engineering, Islamic Azad University, Langarud Branch, Langarud, Iran
In this paper, using molecular dynamics simulations, the thermal properties of the nitrogen-doped graphene sheets are investigated. For this purpose, the LAMMPS software is employed. To study the effect of the atomic structure on the thermal conductivity coefficient of the nitrogen-doped graphene, armchair and zigzag nanosheets are modelled. The thermal conductivity coefficients of the N-doped graphene with the nitrogen percentages between 0%-15% are computed. Finally, applying the uniaxial strains in the range of 0-10%, the effect of strain on the thermal conductivity coefficient of the N-doped graphene is evaluated. It is observed that zigzag N-doped graphene sheets have larger thermal conductivity coefficients than the armchair nanosheets with the same sizes and N-doping percentages. Increasing the N-percentage leads to decreasing the thermal conductivity coefficient of the armchair and zigzag graphene sheets. Furthermore, applying the uniaxial strain results in increasing the thermal conductivity coefficient of the N-doped graphene sheets.