Including nonequilibrium interface kinetics in a continuum model for melting nanoscaled particles

Back, Julian M., McCue, Scott W., & Moroney, Timothy J. (2014) Including nonequilibrium interface kinetics in a continuum model for melting nanoscaled particles. Scientific Reports, 4(7066).

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The melting temperature of a nanoscaled particle is known to decrease as the curvature of the solid-melt interface increases. This relationship is most often modelled by a Gibbs--Thomson law, with the decrease in melting temperature proposed to be a product of the curvature of the solid-melt interface and the surface tension. Such a law must break down for sufficiently small particles, since the curvature becomes singular in the limit that the particle radius vanishes. Furthermore, the use of this law as a boundary condition for a Stefan-type continuum model is problematic because it leads to a physically unrealistic form of mathematical blow-up at a finite particle radius. By numerical simulation, we show that the inclusion of nonequilibrium interface kinetics in the Gibbs--Thomson law regularises the continuum model, so that the mathematical blow up is suppressed. As a result, the solution continues until complete melting, and the corresponding melting temperature remains finite for all time. The results of the adjusted model are consistent with experimental findings of abrupt melting of nanoscaled particles. This small-particle regime appears to be closely related to the problem of melting a superheated particle.

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ID Code: 77904
Item Type: Journal Article
Refereed: Yes
Keywords: melting nanoparticles, Stefan problem, Gibbs-Thomson, moving boundary problem, surface tension, kinetic undercooling
DOI: 10.1038/srep07066
ISSN: 2045-2322
Subjects: Australian and New Zealand Standard Research Classification > MATHEMATICAL SCIENCES (010000) > APPLIED MATHEMATICS (010200) > Theoretical and Applied Mechanics (010207)
Australian and New Zealand Standard Research Classification > PHYSICAL SCIENCES (020000) > CLASSICAL PHYSICS (020300) > Thermodynamics and Statistical Physics (020304)
Divisions: Current > Institutes > Institute for Future Environments
Current > Schools > School of Mathematical Sciences
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2014 The Authors
Copyright Statement: This work is licensed under a Creative Commons Attribution-NonCommercial- ShareAlike 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://
Deposited On: 22 Oct 2014 00:00
Last Modified: 25 Nov 2014 08:57

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