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Cluster Expansion of fcc Pd-V Intermetallics

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Ordered Intermetallics — Physical Metallurgy and Mechanical Behaviour

Part of the book series: NATO ASI Series ((NSSE,volume 213))

Abstract

A cluster expansion is used to compute fcc ground states from first principles for the Pd-V system. Intermetallic structures are not assumed but derived rigorously by minimizing the configurational energy subject to linear constraints. A large number of concentration-independent interactions are calculated by the method of direct configurational averaging. Agreement with the fcc-based portion of the experimentally-determined Pd-V phase diagram is quite satisfactory.

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Author information

Authors and Affiliations

  1. Lawrence Berkeley Laboratory, Berkeley, CA, 94720, USA

    D. de Fontaine, C. Wolverton & G. Ceder

  2. Department of Materials Science and Mineral Engineering, University of California, Berkeley, CA, 94720, USA

    D. de Fontaine & G. Ceder

  3. Department of Physics, University of California, Berkeley, CA, 94720, USA

    C. Wolverton

  4. Laboratoire de Physique du Solide, Université de Nancy, Vandoeuvre-les-Nancy, France

    H. Dreysse

  5. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA

    G. Ceder

Authors
  1. D. de Fontaine
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  2. C. Wolverton
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  3. G. Ceder
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  4. H. Dreysse
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Editor information

Editors and Affiliations

  1. Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA

    C. T. Liu

  2. Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, UK

    R. W. Cahn

  3. Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Deutschland

    G. Sauthoff

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© 1992 Springer Science+Business Media Dordrecht

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de Fontaine, D., Wolverton, C., Ceder, G., Dreysse, H. (1992). Cluster Expansion of fcc Pd-V Intermetallics. In: Liu, C.T., Cahn, R.W., Sauthoff, G. (eds) Ordered Intermetallics — Physical Metallurgy and Mechanical Behaviour. NATO ASI Series, vol 213. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2534-5_5

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  • DOI: https://doi.org/10.1007/978-94-011-2534-5_5

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-5119-4

  • Online ISBN: 978-94-011-2534-5

  • eBook Packages: Springer Book Archive

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