Voids in the H-bonded network of water and their manifestation in the structure factor

David R. Barker, Mark Wilson, Paul A. Madden, Nikolai N. Medvedev, and Alfons Geiger
Phys. Rev. E 62, 1427 – Published 1 July 2000
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Abstract

The main peak of the oxygen-oxygen structure factor SOO(Q) of liquid water shows an unusual doublet structure. The low-Q feature of the doublet shifts appreciably with pressure, between limits which correspond to the position of the first peak in the low- and high-density forms of amorphous ice. This pressure dependence has been cited as evidence of polyamorphism in water. It is shown that this feature is analogous to the “prepeak,” or “first-sharp-diffraction peak” which is well known in network-forming ionic liquids, like SiO2, and that its position is determined by the nearest-neighbor separation of voids in the spatial distribution of oxygen atoms.

  • Received 8 February 2000

DOI:https://doi.org/10.1103/PhysRevE.62.1427

©2000 American Physical Society

Authors & Affiliations

David R. Barker, Mark Wilson, and Paul A. Madden

  • Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, United Kingdom

Nikolai N. Medvedev

  • Russian Academy of Science, Institute of Chemical Kinetics and Combustion, Novosibirsk 630090, Russia

Alfons Geiger

  • University of Dortmund, D-44221 Dortmund, Germany

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Vol. 62, Iss. 1 — July 2000

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