Thermal boundary resistance at the graphene–graphene interface estimated by molecular dynamics simulations

Abstract

We use classical molecular dynamics simulations to study the thermal boundary resistance (also known as Kapitza resistance) between graphene sheets (GS) either in octane or in vacuum. We found a higher value of Kapitza resistance for GS in vacuum compared to that in octane because the GS–GS interface has larger Kapitza resistance than the GS–octane interface, which is consistent with observations for carbon nanotube – carbon nanotube contacts. More importantly, the Kapitza resistance for the GS–GS contact can be 30% lower than values reported for the carbon nanotube – carbon nanotube contact.