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 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.