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

Abstract 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 in...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Nikita P. Kryuchkov, Nikita A. Dmitryuk, Wei Li, Pavel V. Ovcharov, Yilong Han, Andrei V. Sapelkin, Stanislav O. Yurchenko
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/34114257ea304e3fadbef9448aca9c60
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:34114257ea304e3fadbef9448aca9c60
record_format	dspace
spelling	oai:doaj.org-article:34114257ea304e3fadbef9448aca9c602021-12-02T17:41:12ZMean-field model of melting in superheated crystals based on a single experimentally measurable order parameter10.1038/s41598-021-97124-72045-2322https://doaj.org/article/34114257ea304e3fadbef9448aca9c602021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-97124-7https://doaj.org/toc/2045-2322Abstract 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.Nikita P. KryuchkovNikita A. DmitryukWei LiPavel V. OvcharovYilong HanAndrei V. SapelkinStanislav O. YurchenkoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Nikita P. Kryuchkov Nikita A. Dmitryuk Wei Li Pavel V. Ovcharov Yilong Han Andrei V. Sapelkin Stanislav O. Yurchenko Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
description	Abstract 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.
format	article
author	Nikita P. Kryuchkov Nikita A. Dmitryuk Wei Li Pavel V. Ovcharov Yilong Han Andrei V. Sapelkin Stanislav O. Yurchenko
author_facet	Nikita P. Kryuchkov Nikita A. Dmitryuk Wei Li Pavel V. Ovcharov Yilong Han Andrei V. Sapelkin Stanislav O. Yurchenko
author_sort	Nikita P. Kryuchkov
title	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_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_sort	mean-field model of melting in superheated crystals based on a single experimentally measurable order parameter
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/34114257ea304e3fadbef9448aca9c60
work_keys_str_mv	AT nikitapkryuchkov meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter AT nikitaadmitryuk meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter AT weili meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter AT pavelvovcharov meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter AT yilonghan meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter AT andreivsapelkin meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter AT stanislavoyurchenko meanfieldmodelofmeltinginsuperheatedcrystalsbasedonasingleexperimentallymeasurableorderparameter
_version_	1718379696291315712

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

Ejemplares similares