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Water-like anomalies as a function of tetrahedrality

Tetrahedral interactions describe the behavior of the most abundant and technologically important materials on Earth, such as water, silicon, carbon, germanium, and countless others. Despite their differences, these materials share unique common physical behaviors, such as liquid anomalies, open cry...

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Detalles Bibliográficos
Autores principales: Russo, John, Akahane, Kenji, Tanaka, Hajime
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5899477/
https://www.ncbi.nlm.nih.gov/pubmed/29581281
http://dx.doi.org/10.1073/pnas.1722339115
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author Russo, John
Akahane, Kenji
Tanaka, Hajime
author_facet Russo, John
Akahane, Kenji
Tanaka, Hajime
author_sort Russo, John
collection PubMed
description Tetrahedral interactions describe the behavior of the most abundant and technologically important materials on Earth, such as water, silicon, carbon, germanium, and countless others. Despite their differences, these materials share unique common physical behaviors, such as liquid anomalies, open crystalline structures, and extremely poor glass-forming ability at ambient pressure. To reveal the physical origin of these anomalies and their link to the shape of the phase diagram, we systematically study the properties of the Stillinger–Weber potential as a function of the strength of the tetrahedral interaction [Formula: see text]. We uncover a unique transition to a reentrant spinodal line at low values of [Formula: see text] , accompanied with a change in the dynamical behavior, from non-Arrhenius to Arrhenius. We then show that a two-state model can provide a comprehensive understanding on how the thermodynamic and dynamic anomalies of this important class of materials depend on the strength of the tetrahedral interaction. Our work establishes a deep link between the shape of the phase diagram and the thermodynamic and dynamic properties through local structural ordering in liquids and hints at why water is so special among all substances.
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spelling pubmed-58994772018-04-17 Water-like anomalies as a function of tetrahedrality Russo, John Akahane, Kenji Tanaka, Hajime Proc Natl Acad Sci U S A PNAS Plus Tetrahedral interactions describe the behavior of the most abundant and technologically important materials on Earth, such as water, silicon, carbon, germanium, and countless others. Despite their differences, these materials share unique common physical behaviors, such as liquid anomalies, open crystalline structures, and extremely poor glass-forming ability at ambient pressure. To reveal the physical origin of these anomalies and their link to the shape of the phase diagram, we systematically study the properties of the Stillinger–Weber potential as a function of the strength of the tetrahedral interaction [Formula: see text]. We uncover a unique transition to a reentrant spinodal line at low values of [Formula: see text] , accompanied with a change in the dynamical behavior, from non-Arrhenius to Arrhenius. We then show that a two-state model can provide a comprehensive understanding on how the thermodynamic and dynamic anomalies of this important class of materials depend on the strength of the tetrahedral interaction. Our work establishes a deep link between the shape of the phase diagram and the thermodynamic and dynamic properties through local structural ordering in liquids and hints at why water is so special among all substances. National Academy of Sciences 2018-04-10 2018-03-26 /pmc/articles/PMC5899477/ /pubmed/29581281 http://dx.doi.org/10.1073/pnas.1722339115 Text en Copyright © 2018 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/ This open access 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 PNAS Plus
Russo, John
Akahane, Kenji
Tanaka, Hajime
Water-like anomalies as a function of tetrahedrality
title Water-like anomalies as a function of tetrahedrality
title_full Water-like anomalies as a function of tetrahedrality
title_fullStr Water-like anomalies as a function of tetrahedrality
title_full_unstemmed Water-like anomalies as a function of tetrahedrality
title_short Water-like anomalies as a function of tetrahedrality
title_sort water-like anomalies as a function of tetrahedrality
topic PNAS Plus
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5899477/
https://www.ncbi.nlm.nih.gov/pubmed/29581281
http://dx.doi.org/10.1073/pnas.1722339115
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