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 that are more stable in the pressure range 0.8-2 TPa than any predicted previously.
Decomposition and Terapascal phases of water ice.
Chris J. Pickard,M. Martinez-Canales,R. Needs
Published 2013 in Physical Review Letters
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- Publication year
2013
- Venue
Physical Review Letters
- Publication date
2013-06-11
- Fields of study
Materials Science, Physics, Medicine, Environmental Science
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Semantic Scholar, PubMed
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