Decomposition and terapascal phases of water ice

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 H${}_2$O decomposes into H${}_2$O${}_2$ 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 H${}_2$O comes into contact with hydrogen. Metallization of H${}_2$O is predicted at a higher pressure of just over 6 TPa, and therefore H${}_2$O does not have a thermodynamically stable low-temperature metallic form. We have also found a new and rich mineralogy of complicated water ice phases which are more stable in the pressure range 0.8--2 TPa than any predicted previously.

5 pages, 4 figures, 1 table

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