Molecular dynamics simulation of micro‐Poiseuille flow for liquid argon in nanoscale

Abstract

The molecular dynamics simulation of micro‐Poiseuille flow for liquid argon in nanoscale was performed in non‐dimensional unit system with the control parameters of channel size, coupling parameters between solid wall and liquid particles, and the gravity force. The molecular forces are considered not only among the liquid molecules, but also between the solid wall and liquid molecules. The simulation shows that a larger gravity force produces a larger shear rate and a higher velocity distribution. In terms of the gravity force, there are three domain regions each with distinct flow behaviors: free molecule oscillation, coupling and gravity force domain regions. Stronger fluid/wall interactions can sustain a larger coupling region, in which the flow is controlled by the balance of the intermolecular force and the gravity force. Strong surface interaction leads to small slip lengths and the slip lengths are increased slightly with increasing the shear rate. Weak surface interaction results in higher slip lengths and the slip lengths are dramatically decreased with increasing the shear rate. The viscosities are nearly kept constant (Newton flow behavior) if the non‐dimensional shear rate is below 2.0. At higher non‐dimensional shear rate larger than 2.0, the viscosities have a sharp increase with increasing the shear rate, and the non‐Newton flow appears.

Citation

Xu, J.L., Zhou, Z.Q. and Xu, X.D. (2004), "Molecular dynamics simulation of micro‐Poiseuille flow for liquid argon in nanoscale", International Journal of Numerical Methods for Heat & Fluid Flow, Vol. 14 No. 5, pp. 664-688. https://doi.org/10.1108/09615530410539973