Molecular dynamics study on effect of surface structural clearance in nanometer scale on thermal resistance at a solid-liquid interface

Abstract

The classical molecular dynamics simulation was conducted in order to clarify the effects of structural clearances in nanometer scale on thermal resistance between liquid and solid. A liquid molecular region confined between the solid walls was employed as a calculation system. The thermal resistance at the liquid-solid interface was calculated numerically with changing liquid density and the surface structural clearances in nanometer scale. With changing the surface structural clearances from 0 nm to 2.5 nm the thermal resistance between the solid and the liquid once decreased and became the minimum value when the structural clearances were between 0.5 to 1.0 nm. The thermal resistance between the solid and the liquid increased when the structural clearances were more than 1.0 nm. With the increase of the liquid density thermal resistance between the solid and the liquid substantially decreased under all conditions in the present study.