Molecular Dynamics Simulation of Nanoscale Channel Flows with Rough Wall Using the Virtual-Wall Model

Abstract

Molecular dynamics simulation is adopted in the present study to investigate the nanoscale gas flow characteristics in rough channels. The virtual-wall model for the rough wall is proposed and validated. The computational efficiency can be improved greatly by using this model, especially for the low-density gas flow in nanoscale channels. The effect of roughness element geometry on flow behaviors is then studied in detail. The fluid velocity decreases with the increase of roughness element height, while it increases with the increases of element width and spacing.