Diffuse X-ray Scattering and Models of Disorder

By T. Welberry. 2004

196 citations recorded by the source corpus.

Diffuse X-ray scattering is a rich 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 gives a description of the experimental methods used to obtain diffuse scattering data including recent improvements both in synchrotron and neutron facilities and latest detectors that are now available. Part II describes a number of 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. Part IV describes more recent studies in which the increased computational power, coupled with improvements in the quality and quantity of data that is now obtainable, has allowed more quantitative and detailed analyses to be undertaken.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/40ea7b37d6af78eb7bb01d4d062cf8e2eb434753

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. I. Levin
2. Paul D. Adams
3. Simon J. L. Billinge
4. James S. Fraser
5. A. Wolff
6. Michael E. Wall

In Condensed Matter Physics

1. I. Levin
2. Simon J. L. Billinge
3. James S. Fraser
4. A. Wolff
5. Michael E. Wall

In Materials Chemistry

1. James S. Fraser
2. Michael E. Wall
3. A. Wolff
4. I. Levin
5. Paul D. Adams
6. Simon J. L. Billinge
7. Nic Sautter
8. Pavel V. Afonine

Citations in the corpus

• Meeting Review: Diffuse X-Ray Scattering to Model Protein Motions (2014, background): “…which lies between (and under) the Bragg peaks, contains rich information about the two-point correlations of the electron density fluctuations (Amorós and Amorós, 1968; Guinier, 1963; James, 1948; Warren, 1969; Welberry, 2004; Willis and Pryor, 1975; Wooster, 1962; Zachariasen, 1945).”
• Between order and chaos (2011, unknown): “For those cases where there is diffuse scattering, however, finding—let alone describing—the structure of a solid has been more difficul”
• The Problem with Determining Atomic Structure at the Nanoscale (2007, background): “The diffuse scattering from nanostructured regions of single crystals can be studied with x-rays and neutrons (20); however, quantitative analysis of the data is a challenging computational problem that is under active development.”
• Bringing diffuse X-ray scattering into focus (2017, methodology): “While the analysis of diffuse scattering is an established method in the fields of small molecule crystallography [2] and materials science [3], there are only very few foundational studies of diffuse scattering in macromolecular crystallography [4–15,16 ,17,18].”