Enhanced premelting at the ice-rubber interface using all-atom molecular dynamics simulation

Abstract

The ice-rubber interface is critical in applications such as tires and shoe outsoles, yet its molecular tribology remains unclear. Using all-atom molecular dynamics simulations, we studied premelting layers at the basal face of ice in contact with styrene-butadiene rubber from 254 to 269 K. Despite its hydrophobicity, rubber enhances structural disorder of interfacial water, promoting premelting. In contrast, water mobility is suppressed by confinement from polymer chains, leading to glassy dynamics distinct from the ice-vapor interface. Near the melting point, rubber chains become more flexible and penetrate the premelting layer, forming a mixed rubber-water region that couples the dynamics of both components. These results suggest that nanoscale roughness and morphology of hydrophobic polymers disrupt ice hydrogen-bond networks, thereby enhancing premelting. Our findings provide molecular-level insight into ice slipperiness and inform the design of polymer materials with controlled ice adhesion and friction.

References in corpus (9)

• The thickness of a liquid layer on the free surface of ice as obtained from computer simulation
• Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations
• Nanorheology of interfacial water during ice gliding
• Surface phase transitions and crystal growth rates of ice in the atmosphere
• Ice friction at the nanoscale
• Self-diffusion and shear viscosity for the TIP4P/Ice water model
• Effect of Sodium Chloride Adsorption on the Surface Premelting of Ice
• How do interfaces alter the dynamics of supercooled water?
• Confinement enhanced viscosity vs shear thinning in lubricated ice friction