Diffuse X-Ray Scattering and Models of Disorder

Paperback | March 15, 2010

byThomas Richard Welberry

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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 generalmethod by which diffuse scattering of all kinds and from all types of materials can be interpreted and analyzed. Part I 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 IIIdescribes example studies of a wide variety of real materials. These examples not only document the development of computer simulation methods for investigating and analyzing disorder problems but also to provide a resource to help future researchers to recognize the kinds of effects that can occurand to point the way to tackling new problems which are encountered.

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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 generalmethod by which diffuse scattering of all kinds a...

T.R. Welberry took his undergraduate degree at St. John's College Cambridge before obtaining a PhD in Chemical Crystallography at University College London in 1970. He did Post Doctoral research at University College, Cardiff, and from 1975 to the present has been in the Research School of Chemistry at the Australian National Universi...
Format:PaperbackDimensions:280 pages, 9.21 × 6.14 × 0.07 inPublished:March 15, 2010Publisher:Oxford University PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0199583811

ISBN - 13:9780199583812

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Table of Contents

Experiment1. Measurement of diffuse scatteringDisorder models2. Disorder in one dimension3. Particular disorder models4. Displacements in one dimension5. Disorder in higher dimensions6. Displacements in two or three dimensions7. Interactions between occupancies and displacementsExamples of real disordered systems8. 1,3-dibromo-2,5-diethyl-4,6-dimethylbenzene (BEMB2)9. p-chloro-N-(p-methyl-benzylidene) aniline10. Disorder in urea inclusion compounds11. Disorder in mullite12. Disorder in wustite13. Disorder in cubic stabilized zirconias14. Automatic refinement of a Monte Carlo (MC) model15. Further applications of the automatic MC method16. Disorder involving multi-site interactions17. Strain effects in disordered crystals18. Miscellaneous examples