Pressure amorphized ices - an atomistic perspective

We offer our viewpoint on the nature of amorphous ices produced by pressurization of crystalline ice Ih and the inter-relationship between them from an atomistic perspective. We argue that the transformation of high density amorphous (HDA) ice from crystalline ice is due to a mechanical process aris...

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Published inPhysical chemistry chemical physics : PCCP Vol. 14; no. 23; pp. 8255 - 8263
Main Authors Tse, John S, Klug, Dennis D
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 21.06.2012
Subjects
Amorphous structure
Chemistry
Conversion
Crystal structure
Densification
Density
Exact sciences and technology
General and physical chemistry
Pressurization
Pressurizing
Transformations
Relaxation
Annealing
Densification
Proton
Instability
Activation
Ice
Structure
Conversion
Density
Release
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Summary:We offer our viewpoint on the nature of amorphous ices produced by pressurization of crystalline ice Ih and the inter-relationship between them from an atomistic perspective. We argue that the transformation of high density amorphous (HDA) ice from crystalline ice is due to a mechanical process arising from the instability of the ice Ih structure. The densification of HDA upon thermal annealing under pressure is a relaxation process. The conversion of the densified amorphous ice to a lower density form (LDA) upon the release of pressure can be attributed to a similar process. It is speculated that amorphous ices are metastable frustrated structures due to the large activation barriers associated with proton reorientation in the formation of the underlying stable crystalline ice polymorphs. We offer our viewpoint on the nature of amorphous ices produced by pressurization of crystalline ice Ih and the inter-relationship between them from an atomistic perspective.
Bibliography:Dennis Klug is a Principal Research Officer and Theory and Computation Group Leader at the National Research Council of Canada, Ottawa, Canada. He received his PhD in 1968 in theoretical physical chemistry studies of dielectric properties of fluids from the University of Wisconsin, Madison, Wisconsin, USA. He then joined the National Research Council of Canada as a post-doctoral researcher where he carried out research on high pressure physics and chemistry studies of molecular solids with Edward Whalley. His current main research areas span both first-principles theoretical and experimental studies of structures and properties of crystalline and amorphous solids under extreme conditions of high pressure and both high and low temperatures.
John Tse is a Professor of Physics and Canada Research Chair (Tier I) at the University of Saskatchewan. Before joining the University in 2004 he was a Principal Research Officer and Leader of the Theory and Computational Program at the National Research Council. He has broad research interest including theory and experimental synchrotron and neutron techniques with applications in high pressure physics and chemistry and energy materials. He is a fellow of the Royal Society, Canada.
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ISSN:1463-9076
1463-9084
DOI:10.1039/c2cp40201g