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...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-09-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-97124-7 |
| _version_ | 1818683138308571136 |
|---|---|
| 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 |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-17T10:29:58Z |
| format | Article |
| id | doaj.art-34114257ea304e3fadbef9448aca9c60 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-17T10:29:58Z |
| publishDate | 2021-09-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-34114257ea304e3fadbef9448aca9c602022-12-21T21:52:32ZengNature PortfolioScientific Reports2045-23222021-09-0111111510.1038/s41598-021-97124-7Mean-field model of melting in superheated crystals based on a single experimentally measurable order parameterNikita P. Kryuchkov0Nikita A. Dmitryuk1Wei Li2Pavel V. Ovcharov3Yilong Han4Andrei V. Sapelkin5Stanislav O. Yurchenko6Bauman Moscow State Technical UniversityBauman Moscow State Technical UniversityDepartment of Physics, Hong Kong University of Science and TechnologyBauman Moscow State Technical UniversityDepartment of Physics, Hong Kong University of Science and TechnologyBauman Moscow State Technical UniversityBauman Moscow State Technical UniversityAbstract 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.https://doi.org/10.1038/s41598-021-97124-7 |
| spellingShingle | 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 Scientific Reports |
| 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 |
| url | https://doi.org/10.1038/s41598-021-97124-7 |
| 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 |