Molecular dynamic modelling of 2-D nano-couette flows

Abstract

The flow regimes in 2-D nano-couette flows have been investigated using molecular dynamic simulations. The Lennard-Jones potential was used to deduce the effects for fluid- fluid and wall-fluid interactions, and a non-linear spring potential was utilized for wall-wall interactions. The level of mixing is characterised by averaging the maximum transverse movement for all fluid molecules. Six nano-couette wall separations were simulated and their effects on the flow and mixing behaviours were studied. The results show that the transitional Reynolds number and range increase with increasing diameter. Likewise, the effect of wall separations on the rheological properties of the fluid was also studied and results show that the transitional Reynolds number and range increased with increasing wall density.