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Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas

The mode coupling theory of supercooled liquids is combined with advanced closures to the integral equation theory of liquids in order to estimate the glass transition line of Yukawa one-component plasmas from the unscreened Coulomb limit up to the strong screening regime. The present predictions co...

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Autores principales: Lucco Castello, Federico, Tolias, Panagiotis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7865523/
https://www.ncbi.nlm.nih.gov/pubmed/33525346
http://dx.doi.org/10.3390/molecules26030669
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author Lucco Castello, Federico
Tolias, Panagiotis
author_facet Lucco Castello, Federico
Tolias, Panagiotis
author_sort Lucco Castello, Federico
collection PubMed
description The mode coupling theory of supercooled liquids is combined with advanced closures to the integral equation theory of liquids in order to estimate the glass transition line of Yukawa one-component plasmas from the unscreened Coulomb limit up to the strong screening regime. The present predictions constitute a major improvement over the current literature predictions. The calculations confirm the validity of an existing analytical parameterization of the glass transition line. It is verified that the glass transition line is an approximate isomorphic curve and the value of the corresponding reduced excess entropy is estimated. Capitalizing on the isomorphic nature of the glass transition line, two structural vitrification indicators are identified that allow a rough estimate of the glass transition point only through simple curve metrics of the static properties of supercooled liquids. The vitrification indicators are demonstrated to be quasi-universal by an investigation of hard sphere and inverse power law supercooled liquids. The straightforward extension of the present results to bi-Yukawa systems is also discussed.
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spelling pubmed-78655232021-02-07 Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas Lucco Castello, Federico Tolias, Panagiotis Molecules Article The mode coupling theory of supercooled liquids is combined with advanced closures to the integral equation theory of liquids in order to estimate the glass transition line of Yukawa one-component plasmas from the unscreened Coulomb limit up to the strong screening regime. The present predictions constitute a major improvement over the current literature predictions. The calculations confirm the validity of an existing analytical parameterization of the glass transition line. It is verified that the glass transition line is an approximate isomorphic curve and the value of the corresponding reduced excess entropy is estimated. Capitalizing on the isomorphic nature of the glass transition line, two structural vitrification indicators are identified that allow a rough estimate of the glass transition point only through simple curve metrics of the static properties of supercooled liquids. The vitrification indicators are demonstrated to be quasi-universal by an investigation of hard sphere and inverse power law supercooled liquids. The straightforward extension of the present results to bi-Yukawa systems is also discussed. MDPI 2021-01-28 /pmc/articles/PMC7865523/ /pubmed/33525346 http://dx.doi.org/10.3390/molecules26030669 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lucco Castello, Federico
Tolias, Panagiotis
Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
title Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
title_full Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
title_fullStr Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
title_full_unstemmed Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
title_short Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas
title_sort theoretical estimate of the glass transition line of yukawa one-component plasmas
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7865523/
https://www.ncbi.nlm.nih.gov/pubmed/33525346
http://dx.doi.org/10.3390/molecules26030669
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