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New metastable form of ice and its role in the homogeneous crystallization of water
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New metastable form of ice and its role in the homogeneous crystallization of water
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Journal Article
New metastable form of ice and its role in the homogeneous crystallization of water
2014
Overview
The homogeneous crystallization of water at low temperature is believed to occur through the direct nucleation of cubic (I
c
) and hexagonal (I
h
) ices. Here, we provide evidence from molecular simulations that the nucleation of ice proceeds through the formation of a new metastable phase, which we name Ice 0. We find that Ice 0 is structurally similar to the supercooled liquid, and that on growth it gradually converts into a stacking of Ice I
c
and I
h
. We suggest that this mechanism provides a thermodynamic explanation for the location and pressure dependence of the homogeneous nucleation temperature, and that Ice 0 controls the homogeneous nucleation of low-pressure ices, acting as a precursor to crystallization in accordance with Ostwald’s step rule of phases. Our findings show that metastable crystalline phases of water may play roles that have been largely overlooked.
At sufficiently low temperature, liquid water crystallizes into ices with cubic or hexagonal symmetry. A simulation study now shows that the nucleation of water into atomic stackings of cubic and hexagonal ices occurs through a metastable precursor phase with tetragonal symmetry, and that this scenario provides an explanation for the unusual pressure dependence of water’s homogeneous crystal-nucleation temperature.
Publisher
Nature Publishing Group UK,Nature Publishing Group
Subject
