New High-Pressure Phase of Ice
- 15 April 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 76 (16), 2934-2936
- https://doi.org/10.1103/physrevlett.76.2934
Abstract
Based on ab initio constant pressure molecular dynamics simulation, we predict a new phase transition in ice from ice X to a new phase (ice XI) at and room temperature. Ice XI preserves the symmetric hydrogen bond and is a wide gap insulator up to and beyond 7 Mbar. This new phase is stable up to 2000 K at 4 Mbar, where the system shows large protonic diffusion.
Keywords
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