Equilibrium segregation in the stressed Ni(111)(Au) nano-films on inert substrate

Based on the network model and the regular solution model, the equilibrium surface and interface segregations are investigated for the Ni(111)2 at%(Au) nano-films under diffusion-induced stress and intrinsic stress. The size effect with respect to the film thickness, the interlayer interactions and the heteroepitaxial strain in the film are taken into account. The equilibrium layer concentration in the film with the lowest Gibbs free energy of the system is obtained according to the coordinate descent method. The influences of diffusion-induced stress and intrinsic compressive/tensile stress, temperature and bulk concentration on the equilibrium layer concentration of segregation in the film are quantitatively evaluated.

Automated summary

This study investigates the equilibrium surface and interface segregations in Ni(111)2 at%(Au) nano-films under diffusion-induced stress and intrinsic stress, taking into account the size effect, interlayer interactions, and heteroepitaxial strain. The equilibrium layer concentration with the lowest Gibbs free energy is determined using the coordinate descent method, and the quantitative influences of various factors on segregation in the film are evaluated.