The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function

A model is proposed to calculate the melting points of nanoparticles based on the Lennard-Jones (L-J) potential function. The effects of the size, the shape, and the atomic volume and surface packing of the nanoparticles are considered in the model. The model, based on the L-J potential function for...

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Detalles Bibliográficos
Autores principales: Al Rsheed, Anwar, Aldawood, Saad, Aldossary, Omar M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8621700/
https://www.ncbi.nlm.nih.gov/pubmed/34835680
http://dx.doi.org/10.3390/nano11112916
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author Al Rsheed, Anwar
Aldawood, Saad
Aldossary, Omar M.
author_facet Al Rsheed, Anwar
Aldawood, Saad
Aldossary, Omar M.
author_sort Al Rsheed, Anwar
collection PubMed
description A model is proposed to calculate the melting points of nanoparticles based on the Lennard-Jones (L-J) potential function. The effects of the size, the shape, and the atomic volume and surface packing of the nanoparticles are considered in the model. The model, based on the L-J potential function for spherical nanoparticles, agrees with the experimental values of gold (Au) and lead (Pb) nanoparticles. The model, based on the L-J potential function, is consistent with Qi and Wang’s model that predicts the Gibbs-Thompson relation. Moreover, the model based on the non-integer L-J potential function can be used to predict the melting points [Formula: see text] of nanoparticles.
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spelling pubmed-86217002021-11-27 The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function Al Rsheed, Anwar Aldawood, Saad Aldossary, Omar M. Nanomaterials (Basel) Article A model is proposed to calculate the melting points of nanoparticles based on the Lennard-Jones (L-J) potential function. The effects of the size, the shape, and the atomic volume and surface packing of the nanoparticles are considered in the model. The model, based on the L-J potential function for spherical nanoparticles, agrees with the experimental values of gold (Au) and lead (Pb) nanoparticles. The model, based on the L-J potential function, is consistent with Qi and Wang’s model that predicts the Gibbs-Thompson relation. Moreover, the model based on the non-integer L-J potential function can be used to predict the melting points [Formula: see text] of nanoparticles. MDPI 2021-10-30 /pmc/articles/PMC8621700/ /pubmed/34835680 http://dx.doi.org/10.3390/nano11112916 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/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 (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Al Rsheed, Anwar
Aldawood, Saad
Aldossary, Omar M.
The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
title The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
title_full The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
title_fullStr The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
title_full_unstemmed The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
title_short The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
title_sort size and shape effects on the melting point of nanoparticles based on the lennard-jones potential function
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8621700/
https://www.ncbi.nlm.nih.gov/pubmed/34835680
http://dx.doi.org/10.3390/nano11112916
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