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

Lee, Joonho; Sim, Ki Joo

doi:10.1016/j.calphad.2013.07.008

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

Lee, Joonho;
Sim, Ki Joo

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WEB OF SCIENCE

47

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SCOPUS

51

초록

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 nanoparticies 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. (C) 2013 Elsevier Ltd. All rights reserved.

키워드

Ag-Au nanoparticle; CALPHAD; Chemical potential; Nano Phase diagram; Surface effect; Thermodynamics; PHASE-DIAGRAMS; MELTING TEMPERATURE; SURFACE-TENSION; GOLD PARTICLES; NANO PHASES; SIZE; EQUILIBRIUM; SHAPE; REASSESSMENT; NUCLEATION

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

저자: Lee, Joonho; Sim, Ki Joo

DOI: 10.1016/j.calphad.2013.07.008

발행일: 2014-03

유형: Article

저널명: Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

권: 44

페이지: 129 ~ 132