Pickard, CJ; Martinez-Canales, M; Needs, RJ; (2013) Decomposition and Terapascal Phases of Water Ice. Physical review letters , 110 (24) , Article 245701. 10.1103/PhysRevLett.110.245701.

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Abstract

Computational searches for stable and metastable structures of water ice and other H:O compositions at TPa pressures have led us to predict that H2O decomposes into H2O2 and a hydrogen-rich phase at pressures of a little over 5 TPa. The hydrogen-rich phase is stable over a wide range of hydrogen contents, and it might play a role in the erosion of the icy component of the cores of gas giants as H2O comes into contact with hydrogen. Metallization of H2O is predicted at a higher pressure of just over 6 TPa, and therefore H2O does not have a thermodynamically stable low-temperature metallic form. We have also found a new and rich mineralogy of complicated water ice phases that are more stable in the pressure range 0.8–2 TPa than any predicted previously.

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