Investigation on the thermal conductivity of AlN thin films by using Molecular Dynamics simulation

Abstract

In order to investigate high thermal property of AlN ceramic, the Equilibrium Molecular Dynamics (EMD) was used to simulate the thermal conductivity of Aluminum Nitride (AlN) films. The average temperature was selected within 20-4000 K in the simulation. The Stillinger?Weber potential and Green?Kubo's formula were introduced to calculate thermal conductivity. The results show that the thermal conductivity of the thin films is much lower than that of its bulk counterpart, and the size-effect on thermal conductivity is significant.