Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent visualization of the droplet configuration respectively. The simulations mimic experiments in a comprehensive manner wherein micro-sized droplets are propelled by surface wettability gradient against a number of retarding forces. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature were varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction was observed to be a strong function of temperature at atomistic scales, confirming the experimentally observed inverse functionality between the coefficient of contact line friction and increase in temperatures. These MD simulation results were successfully compared with the results from a model for self-propelled droplet motion on gradient surfaces.

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It is observed that the presence of negatively charged, suspended nanoparticles significantly changes the electric-field-induced spreading and contact line dynamics of partially wetting liquid films. Image-analyzing interferometry is used to accurately measure the meniscus profile, including the spatial change in the meniscus curvature. The nanoparticle-containing meniscus exhibits enhanced spreading with an increase in the particle size and weight fraction. The instantaneous contact line velocities are measured using video microscopy and a frame-by-frame analysis of the extracted images. The effects of electric field polarity reversal on the flow toward the contact line are explored as well. The movement of the meniscus is analyzed taking into account the capillary forces and Maxwell-stress-induced flows. An analytical model based on the Young-Laplace equation is used to analyze the electric-field-induced contact line motion, and the model-predicted velocities are compared to the experiments.

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The effect of surface wettability on the dynamics of crack formation and their characteristics are examined during the drying of aqueous colloidal droplets (1 μL volume) containing nanoparticles (53 nm mean particle diameter, 1 w/w %). Thin colloidal films, formed during drying, rupture as a result of the evaporation-induced capillary pressure and exhibit microscopic cracks. The crack initiation and propagation velocity as well as the number of cracks are experimentally evaluated for substrates of varying wettability and correlated to their wetting nature. Atomic force and scanning electron microscopy are used to examine the region in the proximity of the crack including the particle arrangements near the fracture zone. The altered substrate-particle Derjaguin-Landau-Verwey-Overbeek (DLVO) interactions, as a consequence of the changed wettability, are theoretically evaluated and found to be consistent with the experimental observations. The resistance of the film to cracking is found to depend significantly on the substrate surface energy and quantified by the critical stress intensity factor, evaluated by analyzing images obtained from confocal microscopy. The results indicate the possibility of controlling crack dynamics and morphology by tuning the substrate wettability.