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New high-pressure phases of ice

Demontis, Pierfranco and LeSar, Richard and Klein, Michael L. (1988) New high-pressure phases of ice. Physical Review Letters, Vol. 60 (22), p. 2284-2287. eISSN 1079-7114. Article.

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DOI: 10.1103/PhysRevLett.60.2284


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.

Item Type:Article
ID Code:377
Uncontrolled Keywords:Ice crystals, ionic model, molecular dynamics
Subjects:Area 03 - Scienze chimiche > CHIM/02 Chimica fisica
Divisions:001 Università di Sassari > 01 Dipartimenti > Chimica
Publisher:The American Physical Society
Publisher Policy:Depositato in conformità con la politica di copyright dell'Editore
Deposited On:18 Aug 2009 10:02

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