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Phys. Rev. Lett. 100, 105701 (2008) [4 pages]

Predictions of Dynamic Behavior under Pressure for Two Scenarios to Explain Water Anomalies

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Pradeep Kumar1, Giancarlo Franzese2, and H. Eugene Stanley1
1Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA
2Departament de Física Fonamental, Universitat de Barcelona, Diagonal 647, Barcelona 08028, Spain

Received 21 February 2007; revised 8 November 2007; published 11 March 2008

Using Monte Carlo simulations and mean field calculations for a cell model of water we find a dynamic crossover in the orientational correlation time τ from non-Arrhenius behavior at high temperatures to Arrhenius behavior at low temperatures. This dynamic crossover is independent of whether water at very low temperature is characterized by a “liquid-liquid critical point” or by the “singularity-free” scenario. We relate τ to fluctuations of hydrogen bond network and show that the crossover found for τ for both scenarios is a consequence of the sharp change in the average number of hydrogen bonds at the temperature of the specific heat maximum. We find that the effect of pressure on the dynamics is strikingly different in the two scenarios, offering means to distinguish between them.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.100.105701
DOI:
10.1103/PhysRevLett.100.105701
PACS:
64.70.Ja, 05.40.−a, 64.70.qj