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The distinction between Ice phases VII, VIII and X

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arxiv 2504.06244 v1 pith:GNGJKTOS submitted 2025-04-08 cond-mat.stat-mech cond-mat.mtrl-sci

The distinction between Ice phases VII, VIII and X

classification cond-mat.stat-mech cond-mat.mtrl-sci
keywords phasesfreediscontinuityenergymightmodelviiidistinct
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Ice phases VII, VIII and X are all based on a body-centered cubic arrangement of molecules, the differences coming from molecular orientation. There is some debate as to whether these should even be considered distinct phases. The standard definition of a transition between distinct phases involves a discontinuity in any derivative of the free energy. This can be hard to prove experimentally, and most previous theoretical works have been based on models which either have continuously differentiable free energies, or no straightforward way to determine the free energy. Here we build a free energy model based on the common definitions of the phases ; ordered ice-VIII, orientationally disordered ice VII and proton-disordered ice X. All transitions in this model might or might not be associated with a discontinuity in the specific heat, depending on paramaterization. By comparing with data, we find that a VII-X transition line exists, but it ends in a critical point hidden within the stability field of phase VIII. If the model is correct, there is a discontinuity between VII and X, so they are separate phases. We propose that the hidden phase boundary might be demonstrated experimentally by compression of supercooled ice VII.

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