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Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter

Melting is one of the most studied phase transitions important for atomic, molecular, colloidal, and protein systems. However, there is currently no microscopic experimentally accessible criteria that can be used to reliably track a system evolution across the transition, while providing insights in...

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Autores principales: Kryuchkov, Nikita P., Dmitryuk, Nikita A., Li, Wei, Ovcharov, Pavel V., Han, Yilong, Sapelkin, Andrei V., Yurchenko, Stanislav O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8429456/
https://www.ncbi.nlm.nih.gov/pubmed/34504154
http://dx.doi.org/10.1038/s41598-021-97124-7
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author Kryuchkov, Nikita P.
Dmitryuk, Nikita A.
Li, Wei
Ovcharov, Pavel V.
Han, Yilong
Sapelkin, Andrei V.
Yurchenko, Stanislav O.
author_facet Kryuchkov, Nikita P.
Dmitryuk, Nikita A.
Li, Wei
Ovcharov, Pavel V.
Han, Yilong
Sapelkin, Andrei V.
Yurchenko, Stanislav O.
author_sort Kryuchkov, Nikita P.
collection PubMed
description Melting is one of the most studied phase transitions important for atomic, molecular, colloidal, and protein systems. However, there is currently no microscopic experimentally accessible criteria that can be used to reliably track a system evolution across the transition, while providing insights into melting nucleation and melting front evolution. To address this, we developed a theoretical mean-field framework with the normalised mean-square displacement between particles in neighbouring Voronoi cells serving as the local order parameter, measurable experimentally. We tested the framework in a number of colloidal and in silico particle-resolved experiments against systems with significantly different (Brownian and Newtonian) dynamic regimes and found that it provides excellent description of system evolution across melting point. This new approach suggests a broad scope for application in diverse areas of science from materials through to biology and beyond. Consequently, the results of this work provide a new guidance for nucleation theory of melting and are of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter.
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spelling pubmed-84294562021-09-10 Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter Kryuchkov, Nikita P. Dmitryuk, Nikita A. Li, Wei Ovcharov, Pavel V. Han, Yilong Sapelkin, Andrei V. Yurchenko, Stanislav O. Sci Rep Article Melting is one of the most studied phase transitions important for atomic, molecular, colloidal, and protein systems. However, there is currently no microscopic experimentally accessible criteria that can be used to reliably track a system evolution across the transition, while providing insights into melting nucleation and melting front evolution. To address this, we developed a theoretical mean-field framework with the normalised mean-square displacement between particles in neighbouring Voronoi cells serving as the local order parameter, measurable experimentally. We tested the framework in a number of colloidal and in silico particle-resolved experiments against systems with significantly different (Brownian and Newtonian) dynamic regimes and found that it provides excellent description of system evolution across melting point. This new approach suggests a broad scope for application in diverse areas of science from materials through to biology and beyond. Consequently, the results of this work provide a new guidance for nucleation theory of melting and are of broad interest in condensed matter, chemical physics, physical chemistry, materials science, and soft matter. Nature Publishing Group UK 2021-09-09 /pmc/articles/PMC8429456/ /pubmed/34504154 http://dx.doi.org/10.1038/s41598-021-97124-7 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Kryuchkov, Nikita P.
Dmitryuk, Nikita A.
Li, Wei
Ovcharov, Pavel V.
Han, Yilong
Sapelkin, Andrei V.
Yurchenko, Stanislav O.
Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
title Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
title_full Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
title_fullStr Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
title_full_unstemmed Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
title_short Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
title_sort mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8429456/
https://www.ncbi.nlm.nih.gov/pubmed/34504154
http://dx.doi.org/10.1038/s41598-021-97124-7
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