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Stacking disorder in ice I.

Tamsin L Malkin1, Benjamin J Murray, Christoph G Salzmann

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Summary
This summary is machine-generated.

Cubic ice (ice Ic) is not truly cubic but a stacking-disordered ice (ice Isd). This complex ice structure forms readily from supercooled water and its disorder varies with formation conditions.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Crystallography

Background:

  • Traditionally, ice I was classified into hexagonal ice (ice Ih) and cubic ice (ice Ic).
  • Recent findings suggest that 'cubic ice' is actually a stacking-disordered material (ice Isd), not a true cubic crystal.
  • This challenges the established understanding of ice I polymorphs.

Purpose of the Study:

  • To review previous research on stacking-disordered ice, including historical 'cubic ice' studies.
  • To present new experimental data on ice formation from nucleated water droplets.
  • To compare the stacking disorder characteristics of ice formed via different methods.

Main Methods:

  • Literature review of stacking-disordered ice.
  • Experimental crystallization of ice from water droplets with solid inclusions.
  • Analysis of ice structure and stacking disorder characteristics.

Main Results:

  • Ice crystallizing from water droplets at -15 °C exhibits stacking disorder.
  • Molecular simulations confirm initial ice formation from supercooled water is always stacking-disordered.
  • Stacking disorder in droplet-formed ice is quantitatively distinct from ice formed by other methods.

Conclusions:

  • The structure of ice I is more complex than previously thought, frequently containing stacking disorder.
  • Stacking-disordered ice (ice Isd) is a common metastable phase that can transform into hexagonal ice (ice Ih).
  • The complexity of stacking disorder is dependent on the ice formation pathway and thermal history.