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Journal of Chemical Physics / Volume 130 / Issue 12 / ARTICLES / Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation

J. Chem. Phys. 130, 124512 (2009); http://dx.doi.org/10.1063/1.3099605 (6 pages)

Spectral statistics of the quenched normal modes of a network-forming molecular liquid

Gurpreet S. Matharoo, M. Shajahan G. Razul, and Peter H. Poole

Department of Physics, St. Francis Xavier University, Antigonish, Nova Scotia B2G 2W5, Canada

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(Received 23 September 2008; accepted 25 February 2009; published online 26 March 2009)

We evaluate the density of states of the quenched normal modes of ST2 water, and their statistical fluctuations, for a range of densities spanning three regimes of behavior of a hydrogen bonded liquid: a lower-density regime of random tetrahedral network formation, in the vicinity of a liquid-liquid critical point, and in a higher-density regime of fragile glass-forming behavior. For all cases we find that the fluctuations around the mean spectral densities obey the predictions of the Gaussian orthogonal ensemble of random matrix theory. We also measure the participation ratio of the normal modes across the entire frequency range, and find behavior consistent with the majority of modes being of an extended nature, rather than localized.

© 2009 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. METHODS
  3. DENSITY OF STATES
  4. FLUCTUATIONS
  5. DISCUSSION

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KEYWORDS and PACS

Keywords

critical points, electronic density of states, Gaussian processes, hydrogen bonds, liquid-liquid transformations, random processes, vitrification, water

PACS

  • 61.25.Em

    Molecular liquids

  • 61.20.Gy

    Theory and models of liquid structure

  • 64.60.De

    Statistical mechanics of model systems (Ising model, Potts model, field-theory models, Monte Carlo techniques, etc.)

  • 64.70.Ja

    Liquid-liquid transitions

  • 64.70.Q-

    Theory and modeling of the glass transition

  • 05.40.-a

    Fluctuation phenomena, random processes, noise, and Brownian motion

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3099605

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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