Molecular dynamics simulation of plane poiseuille flow in nanochannels

Abstract

This paper presents new techniques and results of simulating microflows in plane channels by the molecular dynamics (MD) method. Mass forces and thermostat are not used in these techniques. The flows are simulated by both hard-sphere molecules and molecules with the Lennard-Jones intermolecular potential. Flow at a given fluid flow rate is implemented. In this case, the initial shock profile is transformed to a parabolic type profile. However, unlike in ordinary Poiseuille flows, a slip effect is recorded on the channel walls. It is shown that, in a nanochannel, a linear pressure gradient occurs. Fluid structuring is studied. The effects of fluid density, accommodation coefficients, and channel dimensions on flow properties are investigated.