title: 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 that are more stable in the pressure range 0.8-2 TPa than any predicted previously.
authors.affiliation: Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.
authors.forename: Chris J
authors.initials: CJ
authors.lastname: Pickard
authors.affiliation: Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.
authors.forename: Miguel
authors.initials: M
authors.lastname: Martinez-Canales
authors.affiliation: Theory of Condensed Matter Group, Cavendish Laboratory, Cambridge CB3 0HE, United Kingdom.
authors.forename: Richard J
authors.initials: RJ
authors.lastname: Needs