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 in | Physical chemistry chemical physics : PCCP Vol. 14; no. 23; pp. 8255 - 8263 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
Cambridge
Royal Society of Chemistry
21.06.2012
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| Abstract | 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. |
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| AbstractList | 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. 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. |
| Author | Klug, Dennis D Tse, John S |
| AuthorAffiliation | University of Saskatchewan National Research Council of Canada Steacie Institute for Molecular Sciences Department of Physics |
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| CitedBy_id | crossref_primary_10_1098_rsta_2018_0164 crossref_primary_10_1021_acs_jpcb_0c08232 crossref_primary_10_1103_PhysRevLett_119_135701 crossref_primary_10_1038_s41586_019_1204_5 crossref_primary_10_1063_1_4993567 crossref_primary_10_1063_1_4937486 crossref_primary_10_1038_d41586_019_01586_9 crossref_primary_10_1021_jp511442r crossref_primary_10_1063_1_4868028 crossref_primary_10_1073_pnas_1705303114 crossref_primary_10_1063_5_0021045 crossref_primary_10_1063_1_4959891 crossref_primary_10_1039_D1RA05697B crossref_primary_10_1021_jz501971h crossref_primary_10_1021_acs_jpclett_1c01623 crossref_primary_10_1063_1_5122765 crossref_primary_10_1021_acs_chemrev_5b00663 crossref_primary_10_1063_1_5083958 crossref_primary_10_1080_00268976_2019_1652774 crossref_primary_10_1016_j_cplett_2014_06_026 |
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| Keywords | Relaxation Annealing Densification Proton Instability Activation Ice Structure Conversion Density Release |
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| Notes | 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. ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
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| SubjectTerms | Amorphous structure Chemistry Conversion Crystal structure Densification Density Exact sciences and technology General and physical chemistry Pressurization Pressurizing Transformations |
| Title | Pressure amorphized ices - an atomistic perspective |
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