Calculation of phase equilibria for an alloy nanoparticle in contact with a solid nanowire

Phase equilibria in a system constituted of an alloy nanoparticle in contact with a solid nanowire have been modelled based on the minimization of a Gibbs free energy function. The Gibbs free energy consists of a bulk, surface and interface contribution. The bulk contribution is taken from CALPHAD thermodynamic databases and the surface properties from the literature. The effect of particle size and surface and interfacial properties on the liquidus line of the Au–Ge and In–Si systems has been studied. The results are compared to the bulk phase diagram and phase equilibria calculated for nano-systems with different geometries.