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Related Experiment Video

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A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization

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Published on: August 18, 2022

Dynamical instabilities of ice X.

Razvan Caracas¹

¹Ecole Normale Superieure de Lyon, Laboratoire de Sciences de la Terre CNRS UMR5570, 46 allee d'Italie Lyon, France. razvan.caracas@ens-lyon.fr

Physical Review Letters

|September 4, 2008

Summary

High-pressure water ice phase transitions were investigated. Lattice dynamics reveal disordered ice X below 120 GPa and Pbcm structure above 400 GPa, proposing a new H2O ice phase sequence.

Area of Science:

Condensed matter physics
Materials science
Physical chemistry

Background:

Understanding high-pressure phases of water ice is crucial for planetary science and materials research.
Previous studies suggested different structural transitions at extreme pressures.

Purpose of the Study:

To determine the stability and phase transitions of water ice X under high pressure.
To elucidate the structural transformations of H2O ice at pressures ranging from 120 to over 400 GPa.

Main Methods:

Lattice dynamical calculations.
Density-functional theory (DFT).
Phonon band analysis.

Main Results:

Water ice X is stable between 120 and 400 GPa.

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Below 120 GPa, an unstable phonon band leads to disordered ice X.

Above 400 GPa, an unstable phonon mode in M results in the Pbcm orthorhombic structure.

Conclusions:

A novel phase transition sequence for H2O ice is proposed: ice VIII-disordered ice X-ordered ice X-ice Pbcm.
Lattice dynamics calculations provide key insights into high-pressure ice structures.