The effects of surface roughness geometry of flow undergoing Poiseuille flow by molecular dynamics simulation

Numerical simulation of Poiseuille flow of liquid Argon in a rough nano-channel using the non-equilibrium molecular dynamics simulation is performed. Density and velocity profiles across the channel are investigated in which roughness is implemented only on the lower wall. The Lennard–Jones potential is used to model the interactions between all particles. The effects of surface roughness geometry, gap between roughness elements (or roughness periodicity), surface roughness height and surface attraction energy on the behavior of the flow undergoing Poiseuille flow are presented. Results show that surface shape and roughness height have a decisive role on the flow behaviors. In fact, by increasing the roughness ratio (height to base ratio), the slip velocity and the maximum velocity in the channel cross section are reduced, and the density fluctuations near the wall increases. Results also show that the maximum density near the wall for a rough surface is less than a smooth wall. Moreover, the simulation results show that the effect of triangle roughness surface on the flow behavior is more than the cylindrical ones.