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A. 051. com/science/article/pii/ S1359645412006003) with permission from Elsevier. 16 | 2 Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe itate coarsening behaviour requires the understanding of the physical processes on the atomistic scale as well as on intermediate length scales in order to predict material properties on the macroscopic scale. The classical theory of coarsening of precipitates due to Ostwald ripening was proposed by Lifshitz and Slyozov [3] and Wagner [4] (LSW).
2 and calculate the chemical potential μ, which is the driving force for diffusion, using Eq. 9). In our system, the compositions of equilibrium Cu-rich precipitates and Fe-rich matrix are very close to pure Cu and pure Fe, respectively. From the broken-bond model (BBM) calculations (see Tab. 410 J m−2 ([110] interface). We use this interface energy value as a representative and approximated input parameter for the PFM simulations. Internal structural changes within the precipitates as discussed in Sec.
5, we have plotted the shift in composition on the precipitate side from its equilibrium composition, ∆cp , as a function of interface curvature. The slope of the p line is found to be 2γ/(ξp (ceq − cm eq )). This test confirms the ability of our model to predict the Gibbs–Thomson effect correctly. Fig. % Cu systems (first, second and third columns, respectively). Fig. % Cu, respectively. Microstructures at t = 0 s correspond to the end results of the KMC simulations (see Fig. 3). In all systems, the large particles grow at the expense of smaller particles.