Pressure-induced phase transformations in ice

Details Pressure-induced phase transformations in ice Pressure-induced phase transformations in ice

Apr 1987

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1987phrvl..58.1672t&link_type=abstract

Physical Review Letters (ISSN 0031-9007), vol. 58, April 20, 1987, p. 1672-1675.

Physics

70

Ice, Phase Diagrams, Phase Transformations, Pressure Effects, X Ray Diffraction, Distribution Functions, Oxygen Atoms, Radial Distribution

Scientific paper

Molecular-dynamics calculations are used to show that at 80 K, ice Ih undergoes a transition to a high-density amorphous (hda) form at about 13 kbar. At higher pressures, the calculated oxygen-atom radial distribution function shows strong resemblance to that of ice VIII. The most characteristic feature of hda ice, namely the peak observed around 3.5 A in the oxygen radial distribution function, is ascribed to molecules occupying interstitial-like sites. On warming of a sample of hda ice recovered at zero pressure, the structure evolves to a lower-density form. These observations are in good accord with available experimental data.

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