Surface phase transitions and crystal growth rates of ice in the atmosphere

Abstract

With climate modeling predicting a raise of at least 2 C by year 2100, the fate of ice has become a serious concern, but we still do not understand how ice grows (or melts). In the atmosphere, crystal growth rates of basal and prismatic facets exhibit an enigmatic temperature dependence, and crossover up to three times in a range between 0 and -40 C. Here we use large scale computer simulations to characterize the ice surface and identify a sequence of novel phase transitions on the main facets of ice crystallites. Unexpectedly, we find that as temperature is increased, the crystal surface transforms from a disordered phase with proliferation of steps, to a smooth phase with small step density. This causes the anomalous increase of step free energies and provides the long sought explanation for the enigmatic crossover of snow crystal growth rates found in the atmosphere.

arXiv comment21 pages, 4 figures + supplementary material. A revised version to appear in Science Advances (In press) under a CC-BY license

References in corpus (8)

• Canonical sampling through velocity-rescaling
• Accurate determination of crystal structures based on averaged local bond order parameters
• 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
• Premelting-Induced Smoothening of the Ice-Vapor Interface
• Preroughening, Diffusion, and Growth of An FCC(111) Surface
• Structure and fluctuations of the premelted liquid film of ice at the triple point
• Structure and water attachment rates of ice in the atmosphere: role of nitrogen

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