Study on the Role of Solid Surface on Nanochannel Flow with Molecular Dynamics Simulation

The passage uses Molecular Dynamics method to investigate the influence of liquid-solid interaction, temperature, roughness and rigidity on number density distribution and slip velocity by simulating liquid argon Couette flow with nano-scale channel. The result shows that the number density of the liquid argon presents a damped layered distribution of fluctuation. In near region area, as interaction grows stronger and temperature is lower, number density increases, leading to slip velocity decrease. Liquid argon number density also decreases with rougher walls. More rigid wall leads to larger number density but has little influence on slip velocity. It is suggested that although more liquid argon atoms near the wall have higher possibility to collide with solid atoms, more rigid wall makes solid atoms amplitude decrease, making them harder to collide with liquid atoms. Thus, slip velocity has little difference.