Thermodynamic modelling of Ag-Si nano phase diagram including shape effect

Abstract

CALPHAD method is an especially effective method to calculate the nano phase diagram of systems by combining the thermodynamic database for the bulk with that of the nano systems. In the present study, the influence of particle size and shape has been studied for Ag-Si the system. The Ag-Si system's thermodynamic characteristics are strongly impacted by the change in particle size. The variation in melting temperature of nano particles due to change in their shape has also been calculated for different shapes like thin film, icosahedron, wire, spherical, hexahedron, octahedron and tetrahedron for Ag nanoparticles. It is found that melting temperature depression is minimum for thin films and maximum for tetrahedron-shaped nanoparticles. In this study, the calculated nano phase diagram and the bulk experimental data were compared.