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Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
16:24

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Published on: August 2, 2012

Growing correlation length in supercooled water.

Emily B Moore1, Valeria Molinero

  • 1Department of Chemistry, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112-0850, USA.

The Journal of Chemical Physics
|July 2, 2009
PubMed
Summary
This summary is machine-generated.

This study reveals water

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Area of Science:

  • Physical Chemistry
  • Computational Physics
  • Materials Science

Background:

  • Water exhibits complex structural transitions from liquid to glassy states.
  • Understanding these transitions is crucial for various scientific disciplines.

Purpose of the Study:

  • To investigate the structural evolution of water from liquid to low-density amorphous ice (LDA).
  • To characterize ordering and fluctuations in supercooled water.
  • To estimate the Widom line of supercooled water.

Main Methods:

  • Large-scale molecular dynamics simulations using the mW model.
  • Analysis of density, translational, and orientational ordering.
  • Characterization of structural fluctuations and correlation lengths.

Main Results:

  • Observed a continuous transition to a tetrahedrally ordered low-density liquid.
  • Identified the liquid-liquid transformation temperature (T(LL)) coinciding with maximum structural change.
  • Found increasing correlation length of four-coordinated molecular patches following a power law.

Conclusions:

  • The structures of low-density liquid and LDA are consistent with a continuous random tetrahedral network.
  • This study provides the first direct estimation of the Widom line for supercooled water using structural correlations.