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Diffuse X-Ray Scattering and Models of Disorder

T. R. Welberry

Price: £89.00 (hardback)
ISBN-13: 978-0-19-852858-6
Publication date: 9 September 2004
280 pages, 142 figures, 234x156 mm
Series: International Union of Crystallography Monographs on Crystallography number 16
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Description

Classic topic currently undergoing strong resurgence of interest.
Covers experimental, theoretical, interpretative and analytical aspects of field.
Gives much emphasis to visual presentation of results, aiding teaching and development of intuition.
Multidisciplinary subject, crossing borders of physics, chemistry, mineral and materials sciences.
Written by author with over 35 years experience in field.

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.

Readership: Graduate students and research scientists working in solid state structural science in physics, chemistry, mineral sciences, materials sciences and engineering.

Contents

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

Authors, editors, and contributors

T. R. Welberry, Research School of Chemistry, Australian National University, Canberra

Links to web resources and related information

More in the same subject area:
Physics
Condensed matter physics (liquids & solids
Solid state chemistry
Computer modelling & simulation
Engineering: general
Materials science
Mineralogy
Crystallography

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