Ice shear on rigid surfaces: Insights from molecular dynamics simulation

A limited understanding of ice shear behavior has hindered advancements in anti-icing and ice-friction surfaces. Here, we investigate the shear behavior of ice on both structured and unstructured surfaces using molecular dynamics simulations. The shear force, which involves atomic friction and the breaking of hydrogen bonds, is influenced by surface morphology, water-surface interaction energy, and ice temperature. Notably, the six-membered ring structure at the ice-water interface reduces hydrogen bond breaking, thereby lowering the shear force. This specific ice structure ensures that shear forces on crystalline surfaces are consistently lower than those on amorphous surfaces under identical water-surface interaction energies. Furthermore, we observe a surprising over 100 % increase in shear force on the crystalline surface in the Cassie state compared to the unstructured crystalline surface. In addition, we identify regions characterized by intrinsically high and low shear forces on the surface.