Molecular Dynamics Study on Accommodation of Reflected Molecules in Inverted Temperature Profile

Abstract

Non-equilibrium molecular dynamics (NEMD) simulations have been carried out to obtain new evidence for the inverted temperature profile. The inverted temperature profile is confirmed in the vicinity of the condensing surface at 90K and 100K. However, this profile disappears near the condensing surface at 120K. Thus, the velocity distribution is obtained from the results of NEMD simulations and it is found that the velocity distribution shows a good agreement with that for the equilibrium condition at 120K. In order to obtain the new evidence, behaviors of reflected molecules are examined from a view point of collision frequency.