Molecular dynamics simulation simulation of channel flow

Abstract

Molecular dynamics simulations with a soft-sphere and a Lennard-Jones type potential have been carried out to model dense fluid flow between two stationary stochastic parallel boundary plates. For Reynolds numbers in the laminar flow region, the velocity and temperature profiles are found to be in good agreement with those predicted by the hydrodynamic equations for an incompressible fluid at a pressure gradient as high as 10 4 atm/cm. No-slip boundary conditions, which are most often used in solving the hydrodynamic equations, are seen to be better reproduced when a purely repulsive potential is used.