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Erschienen in: Journal of Materials Science 4/2017

11.10.2016 | Original Paper

Size- and shape-dependent melting enthalpy and entropy of nanoparticles

verfasst von: Qingshan Fu, Jinhua Zhu, Yongqiang Xue, Zixiang Cui

Erschienen in: Journal of Materials Science | Ausgabe 4/2017

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Abstract

A theoretical model free of any adjustable parameter was derived based on the relation between Gibbs energy change and size to describe the size- and shape-dependent behavior of the melting enthalpy and entropy of nanoparticles. For the melting enthalpy and entropy of vanadium (V), silver (Ag), and copper (Cu) nanoparticles, the results of pure theoretical calculation are in good agreement with available molecular dynamic results. The effect of size on the melting enthalpy and entropy of nanoparticles is greater compared to that of shape effect. The melting enthalpy and entropy decrease with particle size decreasing and the smaller the particle size, the greater the size and shape effects. Furthermore, at the same equivalent diameter, the more the shape of nanoparticles deviates from that of the sphere, the smaller the melting enthalpy and entropy. The thermodynamic relations derived herein can quantitatively describe the influence regularities of size and shape on the melting thermodynamic properties of nanoparticles.

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Metadaten
Titel
Size- and shape-dependent melting enthalpy and entropy of nanoparticles
verfasst von
Qingshan Fu
Jinhua Zhu
Yongqiang Xue
Zixiang Cui
Publikationsdatum
11.10.2016
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 4/2017
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-016-0480-9

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