General equations of CALPHAD-type thermodynamic description for metallic nanoparticle systems

CALPHAD approach is very useful in predicting the change of phase diagram of a nanoparticle system from a bulk system. However, the CALPHAD-type thermodynamic descriptions for nanoparticles have not been generalized, yet. The present paper suggests the generalized equations to describe thermodynamic...

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Bibliographic Details
Published in:Calphad 2014-03, Vol.44, p.129-132
Main Authors: Lee, Joonho, Sim, Ki Joo
Format: Article
Language:English
Subjects:
Ag–Au nanoparticle
CALPHAD
Chemical potential
Computer simulation
Mathematical analysis
Mathematical models
Nano Phase diagram
Nanoparticles
Nanostructure
Phase diagrams
Phase transformations
Surface effect
Thermodynamics
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Summary:CALPHAD approach is very useful in predicting the change of phase diagram of a nanoparticle system from a bulk system. However, the CALPHAD-type thermodynamic descriptions for nanoparticles have not been generalized, yet. The present paper suggests the generalized equations to describe thermodynamic variables for nanoparticles. With the proposed general equations, thermodynamic properties of Ag–Au nanoparticle system were re-optimized. The calculated phase diagram showed reasonable agreement with the experimental data.
ISSN:0364-5916
DOI:10.1016/j.calphad.2013.07.008