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Simulation of Order-Disorder Phenomena and Diffusion in Metallic Alloys

  • Conference paper
Computer Simulation Studies in Condensed Matter Physics III

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 53))

Abstract

The application of the Monte Carlo method to lattice-statistics problems in metallurgy is reviewed. Examples are given for the prediction of phase diagrams from simple model assumptions for effective interatomic potentials and for the calculation of parameters describing long- and short-range order, ordering energy, etc., both for face-centered cubic (fcc) and body-centered cubic (bcc) lattices. Applications to real systems such as Cu—Au and Fe—Al alloys are discussed.

Then studies of diffusion in alloys based on a simple vacancy model are presented, and the relation of the interdiffusion constant to the jump rates ΓA, ΓB of the two species of atoms is discussed for the non-interacting case. Also the modeling of the initial stages of spinodal decomposition is discussed briefly.

In summary, it is shown that the statics and dynamics of ordering phenomena pose many interesting and nontrivial problems in statistical mechanics, and that Monte Carlo simulations yield a lot of insight into such problems, and also contribute to a better understanding of experiments and real materials.

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Authors and Affiliations

  1. Materialwissenschaftliches Forschungszentrum (MWFZ) and Institut für Physik, Johannes-Gutenberg-Universität Mainz, Staudinger Weg 7, W-6500, Mainz, Fed. Rep. of Germany

    K. Binder

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  1. K. Binder
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Editors and Affiliations

  1. Center for Simulation Physics, The University of Georgia, Athens, GA, 30602, USA

    David P. Landau Ph.D , K. K. Mon Ph.D  & Heinz-Bernd Schüttler Ph.D ,  & 

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© 1991 Springer-Verlag Berlin Heidelberg

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Binder, K. (1991). Simulation of Order-Disorder Phenomena and Diffusion in Metallic Alloys. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed Matter Physics III. Springer Proceedings in Physics, vol 53. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-76382-3_2

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  • DOI: https://doi.org/10.1007/978-3-642-76382-3_2

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-76384-7

  • Online ISBN: 978-3-642-76382-3

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