Molecular Dynamics Study on Effects of Surface Structures in Nanometer Scale on Energy Transfer from Fluid to Surface

Abstract

Energy transfer from fluid to surface was calculated by using the classical molecular dynamics method in order to investigate effects of surface structures from 0.1 nm to 10 nm on surface energy transfer numerically. Surface structures on a constant surface area were composed of several hundred atoms having various potential energy parameters, in other words, thermal properties. Upper region in the calculation domain was controlled at a constant temperature and one solid atomic layer lower region was controlled at a constant temperature so as to make a temperature gradient in the calculation system. Energy transfer to the surface was much dependent on surface structures in nanometer scale that affected static structure and dynamic behaviors of fluid molecules in the vicinity of the surface.