Non-Equilibrium Molecular Dynamics Simulation of Poiseuille Flow in a Carbon Nanochannel

TL;DR

This paper uses molecular dynamics simulations to study Poiseuille flow of liquid Argon in a carbon nanochannel, analyzing how flow properties depend on driving force and thermostating methods.

Contribution

It introduces a simulation approach for Poiseuille flow in nanochannels and examines the effects of thermostating and driving force on flow characteristics.

Findings

Velocity profile depends on driving force

Slip length varies with flow conditions

Temperature distribution is affected by thermostating method

Abstract

The numerical simulation of a Poiseuille flow in a narrow channel using the molecular dynamics simulation (MDS) is performed. Poiseuille flow of liquid Argon in a carbon nanochannel is simulated by embedding the fluid particles in a uniform force field. Density, velocity and Temperature profiles across the channel are investigated. When particles will be inserted into the flow, it is expected that the dynamics of flow will depend on the thermostat chosen. To obtain a more uniform temperature distribution across the channel we use local thermostating near the wall. The obtained results show that velocity profile, slip length and slip velocity depends on the driving force.