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research article

Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role

Ranieri, Umbertoluca  
•
Giura, Paola
•
Gorelli, Federico A.
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2016
The Journal of Physical Chemistry B

We investigate the terahertz dynamics of liquid H2O as a function of pressure along the 450 K isotherm, by coupled quasielastic neutron scattering and inelastic X-ray scattering experiments. The pressure dependence of the single molecule dynamics is anomalous in terms of both microscopic translation and rotation. In particular, the Stokes-Einstein-Debye equations are shown to be violated in hot water compressed to the GPa regime. The dynamics of the hydrogen bond network is only weakly affected by the pressure variation. The time scale of the structural relaxation driving the collective dynamics increases by a mere factor of 2 along the investigated isotherm, and the structural relaxation strength turns out to be almost pressure independent. Our results point at the persistence of the hydrogen bond network in hot dense water up to ice VII crystallization, thus questioning the long-standing perception that hydrogen bonds are broken in liquid water under the effect of compression.

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Type
research article
DOI
10.1021/acs.jpcb.6b04142
Web of Science ID

WOS:000382596700029

Author(s)
Ranieri, Umbertoluca  
Giura, Paola
Gorelli, Federico A.
Santoro, Mario
Klotz, Stefan
Gillet, Philippe  
Paolasini, Luigi
Koza, Michael Marek
Bove, Livia E.  
Date Issued

2016

Publisher

Amer Chemical Soc

Published in
The Journal of Physical Chemistry B
Volume

120

Issue

34

Start page

9051

End page

9059

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
EPSL  
Available on Infoscience
October 18, 2016
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/130255
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