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New High-Pressure Phases of Ice
Physical Review Letters (1988)
  • Pierfranco Demontis
  • Richard Alan Lesar, Los Alamos National Laboratory
  • Michael L. Klein, University of Pennsylvania, Philadelphia
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.
Publication Date
May 30, 1988
Citation Information
Pierfranco Demontis, Richard Alan Lesar and Michael L. Klein. "New High-Pressure Phases of Ice" Physical Review Letters Vol. 60 Iss. 22 (1988)
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