Modelling precipitation kinetics: Evaluation of the thermodynamics of nucleation and growth

Modelling of (solid-state) precipitation kinetics in terms of particle nucleation and particle growth requires evaluation of the thermodynamic relations pertaining to these mechanisms, i.e. evaluation of the nucleation barrier and of the Gibbs-Thomson effect. In the present work, frequently occurring problems and misconceptions of the thermodynamic evaluation are identified and a practical approach with regard to kinetic modelling is proposed for combined and unified analysis of the thermodynamics of nucleation and growth, based on the fundamental thermodynamic equilibrium consideration in a particle-matrix system. A computationally efficient method for numerical determination of the thermodynamic relations is presented which allows an easy and flexible implementation into kinetic modelling.