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Journal of Nanoparticle Research

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01-06-2010 | Research paper

Size-dependent melting of nanocrystals: a self-consistent statistical approach

Author: Victoria V. Lubashenko

Published in: Journal of Nanoparticle Research | Issue 5/2010

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Abstract

A self-consistent statistical method is used to describe size effects on melting of free nanocrystals. The melting transition is assumed to be directly related to evolution of high-temperature instability of the phonon subsystem of the crystal, caused by strong anharmonicity of atomic vibrations. We show that depression of the melting temperature of small free particles is mainly due to presence of surface atoms which are bound to smaller numbers of atoms than those of the interior. The melting temperatures of spherical nanocrystals of Ar and Au were calculated as functions of the inverse of their radii and compared with experimental and molecular dynamics data.

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Title: Size-dependent melting of nanocrystals: a self-consistent statistical approach
Author: Victoria V. Lubashenko
Publication date: 01-06-2010
Publisher: Springer Netherlands
Published in: Journal of Nanoparticle Research / Issue 5/2010
Print ISSN: 1388-0764
Electronic ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-009-9743-6

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