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Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations

Molecular dynamics simulations have shown that after initial surface melting, nanowires can melt via two mechanisms: an interface front moves towards the wire centre; the growth of instabilities at the interface can cause the solid to pinch-off and breakup. By perturbing a capillary fluctuation mode...

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Detalles Bibliográficos
Autores principales: Ridings, Kannan M., Hendy, Shaun C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9681868/
https://www.ncbi.nlm.nih.gov/pubmed/36414690
http://dx.doi.org/10.1038/s41598-022-24654-z
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author Ridings, Kannan M.
Hendy, Shaun C.
author_facet Ridings, Kannan M.
Hendy, Shaun C.
author_sort Ridings, Kannan M.
collection PubMed
description Molecular dynamics simulations have shown that after initial surface melting, nanowires can melt via two mechanisms: an interface front moves towards the wire centre; the growth of instabilities at the interface can cause the solid to pinch-off and breakup. By perturbing a capillary fluctuation model describing the interface kinetics, we show when each mechanism is preferred and compare the results to molecular dynamics simulation. A Plateau-Rayleigh-type of instability is found and suggests longer nanowires will melt via an instability mechanism, whereas in shorter nanowires the melting front will move closer to the centre before the solid pinch-off can initiate. Simulations support this theory; preferred modes that destabilise the interface are proportional to the wire length, with longer nanowires preferring to pinch-off and melt; shorter wires have a more stable interface close to their melting temperature, and prefer to melt via an interface front that moves towards the wire centre.
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spelling pubmed-96818682022-11-24 Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations Ridings, Kannan M. Hendy, Shaun C. Sci Rep Article Molecular dynamics simulations have shown that after initial surface melting, nanowires can melt via two mechanisms: an interface front moves towards the wire centre; the growth of instabilities at the interface can cause the solid to pinch-off and breakup. By perturbing a capillary fluctuation model describing the interface kinetics, we show when each mechanism is preferred and compare the results to molecular dynamics simulation. A Plateau-Rayleigh-type of instability is found and suggests longer nanowires will melt via an instability mechanism, whereas in shorter nanowires the melting front will move closer to the centre before the solid pinch-off can initiate. Simulations support this theory; preferred modes that destabilise the interface are proportional to the wire length, with longer nanowires preferring to pinch-off and melt; shorter wires have a more stable interface close to their melting temperature, and prefer to melt via an interface front that moves towards the wire centre. Nature Publishing Group UK 2022-11-21 /pmc/articles/PMC9681868/ /pubmed/36414690 http://dx.doi.org/10.1038/s41598-022-24654-z Text en © The Author(s) 2022 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
Ridings, Kannan M.
Hendy, Shaun C.
Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
title Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
title_full Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
title_fullStr Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
title_full_unstemmed Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
title_short Nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
title_sort nanowire melting modes during the solid–liquid phase transition: theory and molecular dynamics simulations
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9681868/
https://www.ncbi.nlm.nih.gov/pubmed/36414690
http://dx.doi.org/10.1038/s41598-022-24654-z
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