Grain Boundary Premelting of Monolayer Ices in 2D Nano-channels

Abstract

We employ molecular-dynamics (MD) simulations to study grain boundary (GB) premelting in ices confined in two-dimensional hydrophobic nano-channels. Premelting transition is observed in a symmetric tilt GB in monolayer ices an involves the formation of a premelting band of liquid phase water with a width that grows logarithmically as the melting temperature is approached from below, consistent with the existing theory of GB premelting. Based on current MD observations, one may expect GB premelting exists over a wide range of low dimensional phases of confined ice and shows important consequences for crystal growth of low dimensional ices.