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

Joonho Lee, Ki Joo Sim

Research output: Contribution to journalArticlepeer-review

34 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)129-132
Number of pages4
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume44
DOIs
Publication statusPublished - 2014 Mar

Keywords

  • Ag-Au nanoparticle
  • CALPHAD
  • Chemical potential
  • Nano Phase diagram
  • Surface effect
  • Thermodynamics

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Computer Science Applications

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