Evolution of cluster free energy during precipitation in concentrated binary alloys

ABSTRACT

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.

KEYWORDS:

• Precipitation
• computer simulation
• clusters
• Monte Carlo
• free energy

Acknowledgments

Dr E. Clouet is gratefully acknowledged for providing his AKMC package. Dr C. Sigli is warmly acknowledged for numerous fruitful discussions.

Disclosure statement

No potential conflict of interest was reported by the authors.