Effects of the Nanostructural Geometry at a Liquid-Solid Interface on the Interfacial Thermal Resistance and the Liquid Molecular Non-Equilibrium Behaviors

Abstract

The effects of the structural geometry at the nanometer scale on the thermal resistance at a liquid molecule-solid interface, as well as the interfacial energy transport mechanism of liquid molecules, were investigated directly by the nonequilibrium classical molecular dynamics simulations. The 12-6 Lennard-Jones potential energy functions for liquid molecules and the channel structure at the nanometer scale are employed so as to discuss the effects of the surface geometry at the nanometer scale on the interfacial thermal resistance in comparison with a flat surface. The thermal resistance between solid and liquid molecules was calculated by the temperature discontinuity at the liquid-solid interface and the energy flux that was added or subtracted by the Langevin method per unit area so as to maintain a constant boundary temperature of solid walls. The substantial interfacial thermal resistance reduction depending on the interaction parameters between solids and liquid molecules was observed in the case of the nanostructure surface in comparison with the flat surface. The liquid-solid interfacial thermal resistance reduction in the case of nanostructure surface relates to the energy transport mechanism change at the liquid-solid interface and the surface area magnification.

Keywords

• thermal resistance
• liquid-solid interface
• surface nanostructural geometry
• energy transport mechanism
• nonequilibrium molecular dynamics simulation