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

被引:21
作者
Barker, DR
Wilson, M
Madden, PA
Medvedev, NN
Geiger, A
机构
[1] Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England
[2] Russian Acad Sci, Inst Chem Kinet & Combust, Novosibirsk 630090, Russia
[3] Univ Dortmund, D-44221 Dortmund, Germany
来源
PHYSICAL REVIEW E | 2000年 / 62卷 / 01期
关键词
D O I
10.1103/PhysRevE.62.1427
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
The main peak of the oxygen-oxygen structure factor S-OO(Q) of liquid water shows an unusual doublet structure. The low-e 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 polyamorpkism 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.
引用
收藏
页码:1427 / 1430
页数:4
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