Modeling of Phase Competition and Diffusion Zone Morphology Evolution at Initial Stages of Reaction Diffusion
The initial stages of reactive diffusion have been studied by Monte-Carlo simulations. New MC-scheme describing the competition of two ordered intermediate phases is proposed. Main peculiarity of presented MC-model is a strong dependence of interatomic interaction energies on the local atomic surrounding, enabling us to distinguish new phases more distinctly.
M. Danielewski, R. Filipek, R. Kozubski, W. Kucza, P. Zieba, Z. Zurek
M. Pasichnyy and A. Gusak, "Modeling of Phase Competition and Diffusion Zone Morphology Evolution at Initial Stages of Reaction Diffusion", Defect and Diffusion Forum, Vols. 237-240, pp. 1193-1198, 2005