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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Autores principales:	Anwar Al Rsheed, Saad Aldawood, Omar M. Aldossary
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	lennard-jones potential function cohesive energy melting point nanoparticles shape factor Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/1888773779584d2d8c03c27a1045f761
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spelling	oai:doaj.org-article:1888773779584d2d8c03c27a1045f7612021-11-25T18:30:50ZThe Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function10.3390/nano111129162079-4991https://doaj.org/article/1888773779584d2d8c03c27a1045f7612021-10-01T00:00:00Zhttps://www.mdpi.com/2079-4991/11/11/2916https://doaj.org/toc/2079-4991A 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>T</mi><mi>m</mi></msub></mrow></semantics></math></inline-formula> of nanoparticles.Anwar Al RsheedSaad AldawoodOmar M. AldossaryMDPI AGarticlelennard-jones potential functioncohesive energymelting pointnanoparticlesshape factorChemistryQD1-999ENNanomaterials, Vol 11, Iss 2916, p 2916 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	lennard-jones potential function cohesive energy melting point nanoparticles shape factor Chemistry QD1-999
spellingShingle	lennard-jones potential function cohesive energy melting point nanoparticles shape factor Chemistry QD1-999 Anwar Al Rsheed Saad Aldawood Omar M. Aldossary The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function
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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>T</mi><mi>m</mi></msub></mrow></semantics></math></inline-formula> of nanoparticles.
format	article
author	Anwar Al Rsheed Saad Aldawood Omar M. Aldossary
author_facet	Anwar Al Rsheed Saad Aldawood Omar M. Aldossary
author_sort	Anwar Al Rsheed
title	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_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_sort	size and shape effects on the melting point of nanoparticles based on the lennard-jones potential function
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/1888773779584d2d8c03c27a1045f761
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The Size and Shape Effects on the Melting Point of Nanoparticles Based on the Lennard-Jones Potential Function

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