Interface Structure Influence on Thermal Resistance Across Double-Layered Nanofilms

This work investigated the interface influence on the thermal resistance across double-layered thin films by non-equilibrium molecular dynamics (NEMD) with Lennard-Jones potential. Layer A is a solid argon with a face-centered cubic structure and Layer B is obtained by changing atomic mass only. A flat interface is formed when each of the contacting atomic planes from the two layers has the same kind of atoms. A staggered interface is obtained by mixing atoms A and B around the interface region. The temperature profile, vibration amplitude, and structure factor are studied to observe the interface effects. It is found that the thickness of the staggered atomic layer has significant influences on the normal thermal conductivity. With a staggered interface thickness of two atomic planes, the normal thermal conductivity is sharply increased. Further increasing the staggered thickness will gradually decrease the normal conductivity. This result suggests a possibility to control the thermal conductivity of the double-layered structure by engineering its interface condition.