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arXiv · 2508.20448

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

Takumi Kojima·Ikki Yasuda·Takumi Sato·Noriyoshi Arai·Kenji Yasuoka
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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.

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Takumi Kojima, Ikki Yasuda, Takumi Sato, Noriyoshi Arai, Kenji Yasuoka. 2025-08-28. Enhanced premelting at the ice-rubber interface using all-atom molecular dynamics simulation. https://doi.org/10.1021/acs.langmuir.5c04522

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