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Related Experiment Videos

Structures of high and low density amorphous ice by neutron diffraction.

J L Finney1, A Hallbrucker, I Kohl

  • 1Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom. j.finney@ucl.ac.uk

Physical Review Letters
|June 13, 2002
PubMed
Summary

Neutron diffraction reveals amorphous ice structures. High-density amorphous ice (HDA) and low-density amorphous ice (LDA) are fully hydrogen-bonded networks with distinct local orders, impacting the water phase transition debate.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Physical Chemistry

Background:

  • Amorphous ice exists in high-density (HDA) and low-density (LDA) forms, with their structural differences and relationship to crystalline ice and liquid water not fully understood.
  • Understanding these structures is crucial for the ongoing debate about the nature of metastable water phases.

Purpose of the Study:

  • To determine the detailed structures of high-density amorphous ice (HDA) and low-density amorphous ice (LDA).
  • To elucidate the relationship between amorphous ice structures, crystalline ice (ice Ih), and liquid water.
  • To investigate the structural factors governing the transition between HDA and LDA.

Main Methods:

  • Neutron diffraction utilizing isotope substitution.
  • Analysis of radial distribution functions to probe local and extended order.

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Main Results:

  • Both HDA and LDA are characterized by fully hydrogen-bonded, tetrahedral networks.
  • LDA exhibits local order similar to hexagonal ice (ice Ih), while HDA shows similarities to liquid water.
  • An increase in second shell radial order and a decrease in spatial order are observed when transitioning from HDA to LDA and then to ice Ih.
  • A specific "interstitial" molecule, acting as a "lynch pin," was identified as crucial for maintaining the HDA structure.

Conclusions:

  • The identified interstitial molecule plays a key role in the structural integrity of HDA.
  • The findings provide critical insights into the mechanism of the HDA-LDA transition.
  • This research contributes to the understanding of metastable states of water.