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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
National Academy of Sciences
2018
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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. |
format | Online Article Text |
id | pubmed-5899477 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | National Academy of Sciences |
record_format | MEDLINE/PubMed |
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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