Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique

The collection and coupling of thermodynamic data following the Calphad framework is important for computational alloy process design. microstructure precipitation kinetics have a significant influence on mechanical properties multi-component alloys in solid state; therefore, it essential to account state phase transformations via thermo-chemical simulations. In this work an efficient numerical scheme Kampmann-Wagner (KWN) model, which takes into nucleation growth theories open software-package OpenCalphad, developed implemented. By usage approach, becomes feasible describe complex systems. KWN model can take effects resulting from generation or annihilation vacancies by off-equilibrium diffusion constant. For solution particle size distribution flexible moving grid algorithm elaborated, provides robust adaptive simulation nucleation, growth, coarsening reversion. applied simulate recently published in-situ anomalous small angle X-ray scattering experiments studying reversion AA7xxx identified reproduce characteristics these over wide temperature range.