The double identity of ice X.
Author(s) : TEIXEIRA J.
Type of article: Article
Summary
The new computer simulation of molecular dynamics, using path integral methods that treat the particles quantum mechanically, clearly establishes the existence of this new form of ice. Benoit et al. change the distance between two oxygen atoms continuously from 0.26 to 0.22 nanometres, which corresponds to an applied pressure of more than 140 gigapascals. By the end, the authors have ice X, and the proton is symmetrically placed between the oxygen atoms. The surprise comes at intermediate pressures. There is, first, a transition to paraelectric ice VII. At somewhat higher pressure it becomes centred midway along the O-O line due to zero point motion: quantum mechanics produces a symmetric form of ice earlier than expected, a different type of ice X.
Details
- Original title: The double identity of ice X.
- Record ID : 1999-0709
- Languages: English
- Source: Nature - vol. 392 - n. 6673
- Publication date: 1998/03/19
- Document available for consultation in the library of the IIR headquarters only.
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Indexing
- Themes: Thermodynamics and changes of state
- Keywords: Ice; Atom; Physical property; Simulation; Molecule; High pressure
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Tunnelling and zero-point motion in high pressu...
- Author(s) : BENOIT M., MARX D., PARRINELLO M.
- Date : 1998/03/19
- Languages : English
- Source: Nature - vol. 392 - n. 6673
View record
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Simulations moléculaires et génie des procédés.
- Author(s) : FUCHS A., BOUTIN A., ROUSSEAU B.
- Date : 1997
- Languages : French
- Source: Entropie - vol. 33 - n. 208
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New ice outdoes related nets in smallest-ring s...
- Author(s) : O'KEEFFE M.
- Date : 1998/04/30
- Languages : English
- Source: Nature - vol. 392 - n. 6679
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Modulated phases and proton centring in ice obs...
- Author(s) : LOUBEYRE P., LETOULLEC R., WOLANIN E., HANFLAND M., HAUSERMANN D.
- Date : 1999/02/11
- Languages : English
- Source: Nature - vol. 397 - n. 6719
View record
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Molecular dynamics of ice nucleation and crysta...
- Author(s) : MATSUMOTO M.
- Date : 2012/08
- Languages : Japanese
- Source: Refrigeration - vol. 087 - n. 1018
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