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Two-Component Dynamics and the Liquidlike to Gaslike Crossover in Supercritical Water
Peihao Sun1, J B Hastings1, Daisuke Ishikawa2
1SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
Abstract:
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.
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