Decomposition kinetics of Fe-Cr solid solutions during thermal aging

摘要: The decomposition of Fe-Cr solid solutions during thermal aging is modeled by atomistic kinetic Monte Carlo simulations, using a rigid lattice approximation with pair interactions that depend on the local composition and temperature. are fitted ab initio calculations mixing energies vacancy migration barriers at 0 K. entropic contributions to alloys formation free taken into account. model reproduces change in sign energy alloy gives realistic thermodynamic properties, including an asymmetrical miscibility gap low temperature diffusion coefficients good agreement available experimental data. Simulations short-range ordering $\ensuremath{\alpha}\ensuremath{-}\ensuremath{\alpha}$${}^{\ensuremath{'}}$ performed 773 813 K for Cr concentrations between 10$%$ 50$%$. They compared kinetics based three-dimensional atom probe neutron scattering measurements. possible effect magnetic properties $\ensuremath{\alpha}$ ${\ensuremath{\alpha}}^{\ensuremath{'}}$ phases, therefore kinetics, emphasized.