How to extract the critical size of clusters from AKMC simulations of precipitation

References

• R Wagner and R Kampmann, Homogeneous second phase precipitation, in Materials Science and Technology, R. W. Cahn, P. Haasen, and E. J. Kramer, eds., Vol. 5, Chap. 4, Verlag Chemie GmbH, Weinheim, 1991, pp. 213–304.
   Google Scholar
• E Clouet, Modeling of nucleation processes ASM Handbook, Fundamentals of Modelling for Metals Processing ed D. U. Furrer and S. L. Semiatin eds., Vol. 22A, ASM International, Material Park, OH, 2010, pp 203–219.
   Google Scholar
• A Clouet, M Nastar, and C Sigli, Nucleation of Al3Zr and Al3Sc in aluminium: from kinetic Monte Carlo simulations to classical theory, Phys. Rev. B 69(1-14) (2004), pp. 064109.
   Google Scholar
• J Lépinoux, Interfacial reaction rates and free energy of cubic clusters, Phil. Mag. 85 (2005), pp. 3585–3621.
   Google Scholar
• I.J. Ford, Statistical mechanics of nucleation: A review proceedings of the institution of mechanical engineers, Part C, J. Mech. Eng. Sci. 218 (2004), pp. 883–899.
   Web of Science ®Google Scholar
• A Perini, G Jacucci, and G Martin, Cluster free energy in the simple-cubic Ising model, Phys. Rev. B29 (1984), pp. 2689–2697.
   Web of Science ®Google Scholar
• C Bennett, Efficient estimation of free energy differences from Monte Carlo data, J. Comput. Phys.22 (1976), pp. 245–268.
   Web of Science ®Google Scholar
• D Kashiev, Nucleation: Basic Theory with Applications, Elsevier, Amsterdam, 2000.
   Google Scholar
• K.F. Kelton and A.L. Greer, Nucleation in Condensed Matter: Applications in Materials and Biology, Oxford, Pergamon, 2010.
   Google Scholar
• F Soisson and G Martin, Monte Carlo simulations of the decomposition of metastable solid solutions: transient and steady-state nucleation kinetics, Phys. Rev. B 62 (2000), pp. 203–214.
   Web of Science ®Google Scholar
• E Clouet, A Barbu, L Laé, and G Martin, Precipitation kinetics of Al3Zr and Al3Sc in aluminum alloys modeled with cluster dynamics, Acta Mater. 53 (2005), pp. 2313–2325.
   Web of Science ®Google Scholar
• G Martin, Reconciling the classical nucleation theory and atomic scale observations and modeling, Adv. Eng. Mater. 8 (2006), pp. 1231–1236.
   Web of Science ®Google Scholar
• J Lépinoux and C Sigli, Precipitate growth in concentrated binary alloys: a comparison between kinetic Monte Carlo simulations, cluster dynamics and the classical theory, Phil. Mag. 93 (2013), pp. 3194–3215.
   Google Scholar
• J Lépinoux, Contribution of matrix frustration to the free energy of cluster distributions in binary alloys, Phil. Mag 86 (2006), pp. 5053–5082.
   Google Scholar
• J Lépinoux, Modelling of the chemical potential in precipitation models, Phil. Mag. 102 (2021), pp. 95–111.
   Google Scholar
• J Lépinoux and C Sigli, Extracting free energy of clusters in concentrated binary alloys from atomistic Monte Carlo simulations, Model. Simul. Mater. Sci. Eng. 27 (2019), pp. 08500.
   Web of Science ®Google Scholar
• J Lépinoux and C Sigli, Multiscale modelling of precipitation in concentrated alloys: from atomistic monte carlo simulations to cluster dynamics: I. thermodynamics, Phil. Mag. 98 (2018), pp. 1–19.
   Google Scholar
• J Lépinoux, Evolution of clusters free energy during precipitation in concentrated binary alloys, Phil. Mag. Lett. 100 (2020), pp. 402–411.
   Web of Science ®Google Scholar
• J Lépinoux, What can we learn from the exclusion volume of fluctuations and precipitates?, Phil. Mag. 101 (2021), pp. 1097–1118.
   Google Scholar
• P.W. Voorhees, The theory of Ostwald ripening, J. Stat. Phys. 38 (1985), pp. 231–252.
   Web of Science ®Google Scholar
• K.G. Wang, M.E. Glicksman, and K Rajan, Length scales in phase coarsening: theory, simulation, and experiment, Comput. Mater. Sci. 34 (2005), pp. 235–253.
   Web of Science ®Google Scholar
• P Streitenberger, Analytical description of phase coarsening at high volume fractions, Acta Mater. 61 (2013), pp. 5026–5035.
   Web of Science ®Google Scholar
• K. Mahalingam, B.P. Gu, G.L. Liedl, and T.H. Sanders Jr, Coarsening of δ' (Al3Li) precipitates in binary Al–Li alloys, Acta Metall. 35 (1987), pp. 483–498.
   Google Scholar
• J.D. Robson, Modelling the overlap of nucleation, growth and coarsening during precipitation, Acta Mater. 52 (2004), pp. 4669–4676.
   Web of Science ®Google Scholar
• M. Perez, M. Dumont, and D. Acevedo, Implementation of classical nucleation and growth theories for precipitation, Acta Mater. 56 (2008), pp. 2119–2132.
   Web of Science ®Google Scholar