Icing and Adhesion Behaviors on Surfaces with Varied Lattice Constants.

Investigating droplet wetting and icing behavior is crucial for comprehending the principles of surface icing and the design of anti-icing surfaces. In this study, we present the evidence from molecular dynamics (MD) simulations that reveal a hitherto unreported behavior of droplet wetting and icing adhesion on surfaces with lattice constants from 2.7 to 4.5 Å. Here, we observe that the contact angles (CA) of droplets on a face-centered cubic (FCC) lattice surface consistently correlate positively with the lattice constant. Further examination of droplet behavior on an idealized crystal surface reveals that hydrophilic surfaces (e.g., CA = 85°) inhibit freezing more effectively than hydrophobic surfaces (e.g., CA = 97°). This finding contradicts the conventional explanation that hydrophobic surfaces reduce heterogeneous nucleation, thereby delaying icing. This study introduces a mechanistic explanation for the promotion of water icing by hydrophobic surfaces and offers a novel design concept for the development of anti-ice surfaces in future applications.