The interpretation and analysis of diffuse scattering using Monte Carlo simulation methods

T. R. Welberry*, D. J. Goossens

*Corresponding author for this work

    Research output: Contribution to journalReview articlepeer-review

    35 Citations (Scopus)

    Abstract

    Studies of diffuse scattering had a prominent place in the first issue of Acta Crystallographica 60 years ago at a time when conventional crystallography (determination of the average structure from Bragg peaks) was in its infancy. Since that time, conventional crystallography has developed enormously while diffuse-scattering analysis has seemingly lagged well behind. The paper highlights some of the extra difficulties involved in the measurement, interpretation and analysis of diffuse scattering and plots the progress that has been made. With the advent of the latest X-ray and neutron sources, area detectors and the ever-increasing power of computers, most disorder problems are now tractable. Two recent contrasting examples are described which highlight what can be achieved by current methods.

    Original languageEnglish
    Pages (from-to)23-32
    Number of pages10
    JournalActa Crystallographica Section A: Foundations of Crystallography
    Volume64
    Issue number1
    DOIs
    Publication statusPublished - 1 Jan 2008

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