Two-temperature Model-Molecular Dynamics Simulation for the Interfacial Thermal Resistance of L10 FePt-Diamond Interface L10 FePt-金刚石界面热阻的双温度模型--分子动力学模拟

The thermal conductivity of L1 FePt thin film and the interfacial thermal resistance between L1 FePt - Diamond thin films are calculated using both classical non-equilibrium molecular dynamics simulations (MD) and two-temperature model-molecular dynamics simulations (TTMMD). Our simulation results indicate that, by taking into account the free electron's contribution to thermal conduction, TTM-MD provides better results in terms of showing consistent dependence of the thermal conductivity on ambient temperature with experimental observations, compared with classical MD. The calculated interfacial thermal resistance between L1 FePt - diamond thin films is of the same order as that of the L1 FePt thin film. The interfacial thermal resistance also exhibits a clear dependence on the ambient temperature and layer thickness. More specifically, the interfacial thermal resistance reduces with raising ambient temperature or increasing diamond layer thickness, while increases with the thickness of L1 FePt layer.