Two-Dimensional Thermal Transport in Graphene: A Review of Numerical Modeling Studies

This article reviews recent numerical studies of thermal transport in graphene, with a focus on molecular dynamics simulation, the atomistic Green's function method, and the phonon Boltzmann transport equation method. The mode-wise phonon contribution to the intrinsic thermal conductivity (kappa) of graphene and the effects of extrinsic mechanisms-for example, substrate, isotope, impurities, and defects-on kappa are discussed. We also highlight the insights from numerical studies aimed at bridging the gaps between 1D, 2D, and 3D thermal transport in carbon nanotubes/graphene nanoribbons, graphene, and graphite. Numerical studies on thermal transport across the interface between graphene and other materials and nonlinear thermal transport phenomena such as thermal rectification and negative differential thermal resistance are also reviewed.