A Study on Effects of Surface Structural Clearance in Nanometer Scale on Energy Transfer and Molecular Behavior at a Liquid-Solid Interface

Abstract

Energy transfer from fluid to a surface and molecular dynamics behavior in the vicinity of a surface were calculated by using the classical molecular dynamics method in order to investigate an effect of surface structural clearances in nanometer scale on surface energy transfer and molecular diffusion. In an unsteady state calculation, upper region in a calculation domain and a solid atomic layer at lower region were controlled at constant temperatures respectively so as to make a temperature gradient in a calculation system. In a steady state calculation, temperature in the whole system was kept at a constant temperature and thermal equilibrium state was realized. Fluid molecular behaviors in the vicinity of a surface were dependent on characteristic length scale of surface structural clearances in nanometer scale that affected the dynamic behaviors of fluid molecules in the vicinity of a surface in both unsteady and steady state systems.