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Abstract

In the paper, the equilibrium molecular dynamics and Buckingham potential function are used to investigate the thermal conductivity of TiO2/ZnO nano-film interface along to [0001](z-axis). The effects of the equilibrium temperature, the thickness and the cross section of the nano-film interface on the thermal conductivity of TiO2/ZnO are investigated by optimizing the cut-off radius(rc)and the time step for initial condition of molecular dynamics. The results indicate that the thermal conductivity of TiO2/ZnO nano-film interface decreases with temperature increasing from 300 K to 600 K, and increases with film thickness increasing from 1.8 to 5 nm. Finally, the relationship between the thermal conductivity and the thickness of TiO2/ZnO nano-film interface is discussed.

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Vol. 60, Issue 6 - 2011-03-20

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