Diffuse x-ray scattering and models of disorder

著者

    • Welberry, Thomas Richard

書誌事項

Diffuse x-ray scattering and models of disorder

Thomas Richard Welberry

(International Union of Crystallography monographs on crystallography, no. 16)

Oxford University Press, 2004

  • : hbk

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

Diffuse X-ray scattering is a rich (virtually untapped) source of local structural information over and above that obtained by conventional crystal structure determination (crystallography). The main aim in the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Part I of the book gives a description of the experimental methods used to obtain diffuse scattering data. Part II describes a number of simple stochastic models of disorder, which allows various concepts to be established and enables simple examples to be generated to illustrate key principles. Part III describes example studies of a wide variety of real materials. These examples not only document the development of computer simulation methods for investigating and analysing disorder problems but also provide a resource for helping future researchers recognise the kinds of effects which can occur and for pointing the way to tackling new problems which are encountered.

目次

  • EXPERIMENT
  • 1. Measurement of diffuse scattering
  • DISORDER MODELS
  • 2. Disorder in one dimension
  • 3. Particular disorder models
  • 4. Displacements in one dimension
  • 5. Disorder in higher dimensions
  • 6. Displacements in two or three dimensions
  • 7. Interactions between occupancies and displacements
  • EXAMPLES OF REAL DISORDERED SYSTEMS
  • 8. 1,3-dibromo-2,5-diethyl-4,6-dimethylbenzene (BEMB2)
  • 9. p-chloro-N-(p-methyl-benzylidene) aniline
  • 10. Disorder in urea inclusion compounds
  • 11. Disorder in mullite
  • 12. Disorder in wustite
  • 13. Disorder in cubic stabilized zirconias
  • 14. Automatic refinement of a Monte Carlo (MC) model
  • 15. Further applications of the automatic MC method
  • 16. Disorder involving multi-site interactions
  • 17. Strain effects in disordered crystals
  • 18. Miscellaneous examples

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