A homogenization approach to diffusion simulations applied to α + γ Fe–Cr–Ni diffusion couples Original Research Article

The diffusion of Fe, Cr and Ni in one dimension in and between one- and two-phase α/γ regions was simulated using independently assessed thermodynamic and kinetic data. Simulation results compare favourably with experimental results obtained previously by one of the present authors (A. Engström). For example, the formation of a γ layer between an α and a γ + α region is correctly predicted. Neither phase interfaces nor individual phases are explicitly considered; instead, locally averaged kinetic properties are used and locally minimized Gibbs energy is assumed.