Thermodynamic modeling of Si–Zn nano-phase diagram including shape effect

Based on phase equilibrium and thermodynamic data, the nano-phase diagram for the silicon–zinc system has been assessed for the first time including the shape effect of the nanoparticles. The effect of the grain size has been included by employing appropriate thermodynamic models for the calculation of the thermodynamic parameters. Distinct forms of Si nanoalloy like icosahedral, spherical, hexahedral, octahedral, tetrahedral, film, and wire have been examined. The results have been compared with empirical values and data from former studies. It is observed that with a decrease in the size of particle in the Si–Zn system, thermodynamic properties like eutectic temperature, eutectic composition, and melting temperature of Si and Zn decreases. Dimension of the nanomaterials has a remarkable impact on the melting temperature of the nanoparticles. The dimension-based surface particle concentration, the total number of particles, and their relation has been used in the present study. It is observed that in addition to the size of the nanoparticles, dimension also performs a substantial role in evaluating the thermodynamic characteristics and phase diagram of the particles.