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Electrostatic Properties of Minerals from X-Ray Diffraction Data: A Guide for Accurate Atomistic Models

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Diffusion, Atomic Ordering, and Mass Transport

Part of the book series: Advances in Physical Geochemistry ((PHYSICAL GEOCHE,volume 8))

Abstract

One of the ultimate goals of theoretical mineralogy is the computation of diffusion properties of crystalline solids from first principles. Such calculations require models that yield accurate energetics for the generation and migration of point defects, preferably as a function of temperature (Lasaga, 1981).

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Authors
  1. James W. Downs
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Editors and Affiliations

  1. Department of Geosciences, University of Arizona, 85721, Tucson, AZ, USA

    J. Ganguly

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© 1991 Springer-Verlag New York Inc.

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Downs, J.W. (1991). Electrostatic Properties of Minerals from X-Ray Diffraction Data: A Guide for Accurate Atomistic Models. In: Ganguly, J. (eds) Diffusion, Atomic Ordering, and Mass Transport. Advances in Physical Geochemistry, vol 8. Springer, New York, NY. https://doi.org/10.1007/978-1-4613-9019-0_3

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  • DOI: https://doi.org/10.1007/978-1-4613-9019-0_3

  • Publisher Name: Springer, New York, NY

  • Print ISBN: 978-1-4613-9021-3

  • Online ISBN: 978-1-4613-9019-0

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