Cluster Dynamics Modelling of the Precipitation Kinetics in Al(ZrSc) Alloys
The precipitation kinetics path in multi-component alloys may involve a competition between atomic mobilities and precipitates thermodynamic stability. Cluster dynamics modelling (CDM) is a simulation method that allows to describe this competition without introducing any heuristic assumptions as, for example, in the classical theory of nucleation. CDM consists in solving numerically, for each time increment, the master equations expressing the balance of solute exchanges (absorption and emission) between clusters/precipitates. A key issue is the energetics of the nano-clusters in the nucleation range. The computation of the precipitate size distribution function allows the complete description of the precipitates kinetic evolution, in chemical composition and in size. The method is applied to the precipitation of the Al3(Zr,Sc) L12 phase in Al solid solutions. The model predicts fairly well in the precipitation path some observed coupling effects between the two solutes, particularly during the nucleation stage.
W.J. Poole, M.A. Wells and D.J. Lloyd
P. Guyot and C. Sigli, "Cluster Dynamics Modelling of the Precipitation Kinetics in Al(ZrSc) Alloys", Materials Science Forum, Vols. 519-521, pp. 291-296, 2006