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Plastic deformation of superionic water ices

Due to their potential role in the peculiar geophysical properties of the ice giants Neptune and Uranus, there has been a growing interest in superionic (SI) phases of water ice. So far, however, little attention has been given to their mechanical properties, even though plastic deformation processe...

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Detalles Bibliográficos
Autores principales: Matusalem, Filipe, Santos Rego, Jéssica, de Koning, Maurice
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9659364/
https://www.ncbi.nlm.nih.gov/pubmed/36322744
http://dx.doi.org/10.1073/pnas.2203397119
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author Matusalem, Filipe
Santos Rego, Jéssica
de Koning, Maurice
author_facet Matusalem, Filipe
Santos Rego, Jéssica
de Koning, Maurice
author_sort Matusalem, Filipe
collection PubMed
description Due to their potential role in the peculiar geophysical properties of the ice giants Neptune and Uranus, there has been a growing interest in superionic (SI) phases of water ice. So far, however, little attention has been given to their mechanical properties, even though plastic deformation processes in the interiors of planets are known to affect long-term processes, such as plate tectonics and mantle convection. Here, using density functional theory calculations and machine learning techniques, we assess the mechanical response of high-pressure/temperature solid phases of water in terms of their ideal shear strength (ISS) and dislocation behavior. The ISS results are well described by the renormalized Frenkel model of ideal strength and indicate that the SI ices are expected to be highly ductile. This is further supported by deep neural network molecular dynamics simulations for the behavior of lattice dislocations for the SI face-centered cubic (fcc) phase. Dislocation velocity data indicate effective shear viscosities that are orders of magnitude smaller than that of Earth’s lower mantle, suggesting that the plastic flow of the internal icy layers in Neptune and Uranus may be significantly faster than previously foreseen.
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spelling pubmed-96593642023-05-02 Plastic deformation of superionic water ices Matusalem, Filipe Santos Rego, Jéssica de Koning, Maurice Proc Natl Acad Sci U S A Physical Sciences Due to their potential role in the peculiar geophysical properties of the ice giants Neptune and Uranus, there has been a growing interest in superionic (SI) phases of water ice. So far, however, little attention has been given to their mechanical properties, even though plastic deformation processes in the interiors of planets are known to affect long-term processes, such as plate tectonics and mantle convection. Here, using density functional theory calculations and machine learning techniques, we assess the mechanical response of high-pressure/temperature solid phases of water in terms of their ideal shear strength (ISS) and dislocation behavior. The ISS results are well described by the renormalized Frenkel model of ideal strength and indicate that the SI ices are expected to be highly ductile. This is further supported by deep neural network molecular dynamics simulations for the behavior of lattice dislocations for the SI face-centered cubic (fcc) phase. Dislocation velocity data indicate effective shear viscosities that are orders of magnitude smaller than that of Earth’s lower mantle, suggesting that the plastic flow of the internal icy layers in Neptune and Uranus may be significantly faster than previously foreseen. National Academy of Sciences 2022-11-02 2022-11-08 /pmc/articles/PMC9659364/ /pubmed/36322744 http://dx.doi.org/10.1073/pnas.2203397119 Text en Copyright © 2022 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/This article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND) (https://creativecommons.org/licenses/by-nc-nd/4.0/) .
spellingShingle Physical Sciences
Matusalem, Filipe
Santos Rego, Jéssica
de Koning, Maurice
Plastic deformation of superionic water ices
title Plastic deformation of superionic water ices
title_full Plastic deformation of superionic water ices
title_fullStr Plastic deformation of superionic water ices
title_full_unstemmed Plastic deformation of superionic water ices
title_short Plastic deformation of superionic water ices
title_sort plastic deformation of superionic water ices
topic Physical Sciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9659364/
https://www.ncbi.nlm.nih.gov/pubmed/36322744
http://dx.doi.org/10.1073/pnas.2203397119
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