Evolution of cluster free energy during precipitation in concentrated binary alloys

摘要

The precipitation in ordered and coherent Al3Li clusters embedded in concentrated AlLi alloys is investigated using Atomistic Kinematic Monte Carlo (AKMC) simulations. The free energy of clusters is extracted from simulations as a function of their size and monitored from the initial disordered state until coarsening. All components of the cluster free energy are found to vary linearly with the chemical potential of monomers, a property that it is easy to incorporate into classical precipitation models.