On the characterization of crystallization and ice adhesion on smooth and rough surfaces using molecular dynamics

Coarse-grained molecular dynamics is utilized to quantify the behavior of a supercooled water drop on smooth and rough surfaces. Crystallization on rough surface is characterized based on wetting states. Freezing temperature and work of adhesion of water droplet are linearly associated with roughness parameters corresponding to the Cassie-Baxter and Wenzel states. The behavior is insensitive to different surface-fluid affinity. We show in general, for Wenzel states, work of adhesion is higher than that of Cassie-Baxter state for surfaces that have identical freezing temperatures. (C) 2014 AIP Publishing LLC.