On the effect of concentrated solid solutions on properties of clusters in a model binary alloy

Abstract

In a series of papers aimed at better understanding precipitation in binary alloys, it was shown that Cluster Dynamics (CD) is a valuable tool to bridge the gap between microscopic and macroscopic scales, provided that cluster-free energies are carefully derived from Monte Carlo calculations. Indeed, in such conditions, CD predictions compare well with Atomistic Kinetic MC simulations. Nevertheless, in a recent work, the authors pointed out some limitations of this approach at high solute concentration. The present work aims at revisiting the notion of cluster-free energy in the context of concentrated solid solutions at thermal equilibrium.

Keywords:

• Atomistic simulation
• thermodynamics
• modelling
• Monte-Carlo
• precipitation

Acknowledgements

The authors are grateful to Dr. E. Clouet for providing his AKMC package developed in CEA Saclay.