Abstract
An ionic model has been used in conjunction with classical constant-pressure molecular-dynamics calculations to explore the properties of possible high-pressure phases of ice. Around 100 GPa, the model is found to convert from the symmetric hydrogen-bonded cuprite structure (ice X) to a fully ordered antifluorite structure. On heating, the new phase, ice XI, becomes a fast-ion proton conductor.
- Received 17 December 1987
DOI:https://doi.org/10.1103/PhysRevLett.60.2284
©1988 American Physical Society