Reducing Si/Cu Interfacial Thermal Resistance Via Hybrid Cnt-Graphene Junctions: A Molecular Dynamics Study

Abstract

Covalently bonded carbon nanotube (CNT)-graphene hybrid junctions have garnered research attentions due to their potential applications in thermal management. This study comprehensively investigates the impact of CNT-graphene hybrid structures on thermal transport at the silicon/copper (Si/Cu) interface. Using non-equilibrium molecular dynamics (NEMD) simulations, we calculated the interfacial thermal resistance (ITR) of CNT/Si and Si-CNT-graphene junction/Cu with different CNT diameters and surface densities, and evaluated the impact of CNT-graphene hybrid junction to the total thermal resistance across the Si/Cu interface. The MD results indicate that the overall thermal resistance of Si-CNT/graphene junction-Cu interfaces can be decreased by as much as 76.3% relative to the Si-Cu interface. The effect of temperature on the interfacial thermal resistance were also revealed. Our findings provide insights for the design of novel nanoelectronic devices with efficient thermal management.

Keywords: CNT-graphene junctions, thermal transport, Molecular dynamics, Interfacial thermal resistance