Numerical Study of the Effects of System Temperature on Heat Transfer at the Solid-Liquid Interface

In the present paper, the effect of system temperature and solid-liquid bond strength on the thermal transport has been investigated based on the non-equilibrium molecular dynamics simulations. It is revealed that the interfacial thermal resistance decreases with increasing temperature, and the interfacial thermal resistance of the hydrophilic interface has a weak temperature dependence. The interfacial thermal transport mechanism is analyzed based on the microscale calculation formula of the heat flux. With increasing temperature, both the contributions by the kinetic and virial term can be enhanced. The proportion of the kinetic term increases, while the proportion of the virial term decreases with increasing temperature. For strong interfacial couplings, the virial term can be enhanced, which is the dominate mechanism for the enhanced interfacial heat transfer.