A Molecular Dynamics Study for Stability of Thin Water Films on Nanostructured Surfaces

The stability of thin water films on a variety of gold nanostructures was simulated by molecular dynamics simulations. The critical film thickness to prevent a film break-up was investigated as a function of the characteristic length of the nanostructures. Layering of water molecules adjacent to the gold substrate was observed as a result of the strong van der Waals interactions between the water molecules and the gold atoms. A model for the critical film thickness in the presence of nanostructures is developed based on the stability analysis. The model prediction is compared with molecular dynamics simulations with good agreement.