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Two-Component Dynamics and the Liquidlike to Gaslike Crossover in Supercritical Water

Molecular-scale dynamics in sub- to supercritical water is studied with inelastic x-ray scattering and molecular dynamics simulations. The obtained longitudinal current correlation spectra can be decomposed into two main components: a low-frequency (LF), gaslike component and a high-frequency (HF) c...

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Bibliographic Details
Published in:Physical review letters 2020-12, Vol.125 (25), p.256001-256001, Article 256001
Main Authors: Sun, Peihao, Hastings, J B, Ishikawa, Daisuke, Baron, Alfred Q R, Monaco, Giulio
Format: Article
Language:English
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Summary:Molecular-scale dynamics in sub- to supercritical water is studied with inelastic x-ray scattering and molecular dynamics simulations. The obtained longitudinal current correlation spectra can be decomposed into two main components: a low-frequency (LF), gaslike component and a high-frequency (HF) component arising from the O-O stretching mode between hydrogen-bonded molecules, reminiscent of the longitudinal acoustic mode in ambient water. With increasing temperature, the hydrogen-bond network diminishes and the spectral weight shifts from HF to LF, leading to a transition from liquid- to gaslike dynamics with rapid changes around the Widom line.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.125.256001