Numerical Evaluation on Heat Transport Characteristics Between Al2O3 and ZnO Materials in Nanoscale Situation

Abstract

The aim of this article is to provide a systematic method to perform numerical evaluation on the cross-plane thermal conductivity of Al(2)O(3)/ZnO film interface. The Equilibrium Molecular Dynamics (EMD) simulations method is used to investigate the cross-plane thermal conductivity of Al(2)O(3)/ZnO film interface along the direction of Z axis at different equilibrium temperature and film interface thickness. The Buckingham two-body potential function and Green-Kubo linear response theory are used for modeling and calculation. The results show that the size effect is obvious. It implies the film interface thickness is 23.4-52 Å and the equilibrium temperature is 300-600 K. The cross section thermal conductivity of Al(2)O(3)/ZnO film interface increases with the increase of interface thickness, and decreases with the increase in equilibrium temperature.