On the effect of concentrated solid solutions on properties of clusters in a model binary alloy |
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Authors: | J Lepinoux C Sigli |
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Institution: | 1. University Grenoble Alpes, SIMAP, Grenoble, France;2. CNRS, SIMAP, Grenoble, France;3. Constellium Technology Center, Voreppe, France |
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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. |
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Keywords: | Atomistic simulation thermodynamics modelling Monte-Carlo precipitation |
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