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We characterized the structural and dynamical properties of the quasi-liquidlayer (QLL) at the surface of ice by molecular dynamics simulations with athermodynamically consistent water model. Our simulations show that for threelow-index ice surfaces only the outermost molecular layer presents short-rangeand mid-range disorder and is diffusive. The onset temperature for normaldiffusion is much higher than the glass temperature of supercooled water,although the diffusivity of the QLL is higher than that of bulk water at thecorresponding temperature. The underlying subsurface layers impose an orderedtemplate, which produces a regular patterning of the ice/water interface at anytemperature, and is responsible for the major differences between QLL and bulkwater, especially for what concern the dynamics and the mid-range structure ofthe hydrogen-bonded network. Our work highlights the need of a holisticapproach to the characterization of QLL, as a single experimental technique mayprobe only one specific feature, missing part of the complexity of thisfascinating system.

Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations