Icing and Adhesion\nBehaviors on Surfaces with Varied\nLattice Constants

Investigating droplet wetting and icing behavior is crucial\nfor\ncomprehending the principles of surface icing and the design of anti-icing\nsurfaces. In this study, we present the evidence from molecular dynamics\n(MD) simulations that reveal a hitherto unreported behavior of droplet\nwetting and icing adhesion on surfaces with lattice constants from\n2.7 to 4.5 Å. Here, we observe that the contact angles (CA) of\ndroplets on a face-centered cubic (FCC) lattice surface consistently\ncorrelate positively with the lattice constant. Further examination\nof droplet behavior on an idealized crystal surface reveals that hydrophilic\nsurfaces (e.g., CA = 85°) inhibit freezing more effectively than\nhydrophobic surfaces (e.g., CA = 97°). This finding contradicts\nthe conventional explanation that hydrophobic surfaces reduce heterogeneous\nnucleation, thereby delaying icing. This study introduces a mechanistic\nexplanation for the promotion of water icing by hydrophobic surfaces\nand offers a novel design concept for the development of anti-ice\nsurfaces in future applications.