Thermal transport through solid-solid interface with an interlayer

摘要

Nonequilibrium molecular dynamics (NEMD) approach is developed to investigate the thermal transport across a solid-solid interface between two different materials with an interlayer around it. The effects of system size and the interlayer material's properties on the interface thermal resistance are considered in our model. The NEMD simulations show that the addition of an interlayer between two highly dissimilar lattices depresses the interface thermal resistance effectively. Meanwhile, the effective thermal conductivity along the direction of heat flux is enhanced with the increasing system temperature. Moreover, the interface thermal resistance after including an interlayer does not depend strongly on the simulation system size.