Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics

The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in variety wetting phenomena technological applications. One challenge continuum theory is effective representation molecular close to line. Here, we characterize processes moving assess accuracy different two-phase models. Specifically, dynamics simulations two-dimensional droplet plates are used create reference data for capillary numbers angles. We use simple-point-charge/extended water model. This model provides very small slip more realistic physics than Lennard-Jones Cahn–Hilliard phase-field volume-of-fluid calibrated against drop displacement from data. It shown that models can accurately capture break-up However, also observe differences atomistic describing transient unsteady behaviour, particular, dynamical transitions. sheared provide insight into friction experienced by advancing receding lines. presented results will serve as stepping stone towards developing accurate nanoscale hydrodynamics.