Inter-layer and Intra-layer Heat Transfer in Bilayer/Monolayer Graphene van der Waals Heterostructure: Is There a Kapitza Resistance Analogous?

Abstract

Van der Waals heterostructures have exhibited interesting physical properties. In this paper, heat transfer in hybrid coplanar bilayer/monolayer (BL-ML) graphene, as a model layered van der Waals heterostructure, was studied using non-equilibrium molecular dynamics (MD) simulations. Temperature profile and inter- and intra-layer heat fluxes of the BL-ML graphene indicated that, there is no fully developed thermal equilibrium between layers and the drop in average temperature profile at the step-like BL-ML interface is not attributable to the effect of Kapitza resistance. By increasing the length of the system up to 1 $\mu$m in the studied MD simulations, the thermally non-equilibrium region was reduced to a small area near the step-like interface. All MD results were compared to a continuum model and a good match was observed between the two approaches. Our results provide a useful understanding of heat transfer in nano- and micro-scale layered 2D materials and van der Waals heterostructures.

References in corpus (6)

• Length-dependent thermal conductivity in suspended single-layer graphene
• Efficient molecular dynamics simulations with many-body potentials on graphics processing units
• Thermal conductivity decomposition in two-dimensional materials: Application to graphene
• Multiscale modeling of heat conduction in graphene laminates
• Transmission through a boundary between monolayer and bilayer graphene
• Generalized two-temperature model for coupled phonons

Cited by in corpus (5)

• GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
• The effect of water/carbon interaction strength on interfacial thermal resistance and the surrounding molecular nanolayer of CNT and graphene nanoparticles
• Thermal Transport Across Graphene Step Junctions
• Thermal rectification and interface thermal resistance in hybrid pillared-graphene and graphene: A molecular dynamics approach
• Thermal transport in van der Waals graphene/boron-nitride structure: a molecular dynamics study