Ice goes fully cubic

  title={Ice goes fully cubic},
  author={Christoph G. Salzmann and Benjamin J. Murray},
  journal={Nature Materials},
Two independent studies describe the discovery of structurally pure cubic ice Ic made from either ice XVII or a high-pressure hydrogen hydrate. 
Raman Investigation of the Ice Ic–Ice Ih Transformation
Among the many ice polymorphs, ice I, that is present in nature at ambient pressure, occurs with two different structures, i.e. the stable hexagonal (Ih) or the metastable cubic (Ic) one. An accurate
Slow Crystal Growth of Cubic Ice with Stacking Faults in a Glassy Dilute Glycerol Aqueous Solution.
The results suggest that ice formation can be controlled by changing the solute type and concentration, implications for thawing technology in cryobiology and frozen food engineering.
Routes to cubic ice through heterogeneous nucleation
Understanding of the interplay of heterogeneous nucleation and ice I polytypism is deepened and the substrate design methodology presented here combined with the insight gained can be used to understand and control polymorphism and stacking disorder in materials in general.
The Phase of Water Ice Which Forms in Cold Clouds in the Mesospheres of Mars, Venus, and Earth
Water ice clouds form in the mesospheres of terrestrial planets in the solar system (and most likely elsewhere) by vapor deposition at low pressures and temperatures. Under these conditions a range
Thermal Desorption of H2O-Ice: From Nanoscale Films to the Bulk
Desorption of H2O films ranging from 53 nanometres to 101 micrometre thicknesses have been investigated using a quartz-crystal microbalance (QCM) and temperature-programmed desorption. Three
Identification of synthesisable crystalline phases of water – a prototype for the challenges of computational materials design
Starting with an extensive database-driven computational search for (meta-)stable crystalline phases, dimensionality-reduction techniques are used to visualise and rationalise the configuration space of ice, screen for promising candidates for thermodynamic stability, and touch upon accurate, predictive determination of relative stabilities.
Homogeneous Freezing of Water Using Microfluidics
The homogeneous freezing of water is important in the formation of ice in clouds, but there remains a great deal of variability in the representation of the homogeneous freezing of water in the
Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional.
This work uses a machine learning model based on deep neural networks to drive enhanced sampling simulations aimed at calculating a number of complex properties that are out of reach of DFT-driven simulations and employs an appropriate reweighting procedure to compute the corresponding properties for the SCAN functional.


Cubic ice Ic without stacking defects obtained from ice XVII
A method to obtain large quantities of cubic ice Ic with high structural purity is described and neutron diffraction experiments performed on two different instruments and Raman spectroscopy measurements confirm the structural purity of the cubic ice, Ic.
Formation and annealing of cubic ice: I. Modelling of stacking faults
Ice Ic, so-called 'cubic ice' (Konig 1943 Z. Kristallogr. 105 279–86), can be obtained, for example, from direct vapour deposition at low temperatures or by warming of recovered high-pressure forms
Structure of ice crystallized from supercooled water
X-ray diffraction data and Monte Carlo simulations show that ice that crystallizes homogeneously from supercooled water is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences.
Extent and relevance of stacking disorder in “ice Ic”
A quantitative link between the crystallite size established by diffraction and electron microscopic images of the material is established; the crystallites are isometric with markedly rough surfaces parallel to the stacking direction, which has implications for atmospheric sciences.
Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate
A hydrogen hydrate and degas hydrogen is synthesized, obtaining pure non-defected cubic ice, observed by X-ray and neutron diffraction, and this discovery of ideal ice Ic will promote understanding of the role of stacking-disorder on the physical properties of ice as a counter end-member of ice Ih.
Advances in the experimental exploration of water's phase diagram.
  • C. Salzmann
  • Materials Science
    The Journal of chemical physics
  • 2019
Water's phase diagram displays enormous complexity with currently 17 experimentally confirmed polymorphs of ice and several more predicted computationally and the exploration of the "chemical" dimensions of ice research appears to now be a newly emerging trend.
How Cubic Can Ice Be?
The cubicity value determined here is higher than those determined in experiments with micron-sized drops but comparable to those found in molecular dynamics simulations, and most likely caused by the extremely low freezing temperatures and by the rapid freezing, which occurs on a ∼1 μs time scale in single nanodroplets.
Lonsdaleite is faulted and twinned cubic diamond and does not exist as a discrete material.
It is shown that defects in cubic diamond provide an explanation for the characteristic d-spacings and reflections reported for lonsdaleite and point to the need for re-evaluating the interpretations of many londaleite-related fundamental and applied studies.
Cubic Ice in Nature