Diffuse X-ray scattering and strain effects in disordered crystals

T. R. Welberry*

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    25 Citations (Scopus)

    Abstract

    It is shown in this paper that a feature that has been observed in the diffuse scattering patterns of a wide variety of different materials - a diffuse 'ring' or 'doughnut'-shaped region of scattering - can be understood in terms of a simple model that has been borrowed from the field of sol-gel science. In this, it is supposed that there is a balance between the local attractive forces that are trying to make a particular structure and a rather longer range repulsive force. In the present context, it is believed that this latter force has its origin in the strain that builds as the preferred local structure tries to fit into the average crystal lattice. Simple Monte Carlo (MC) computer simulations are described that demonstrate this principle for three example materials: cubic stabilized zirconia, the p-didecylbenzene/urea inclusion compound and the pure molecular compound 1,3-dibromo-2,5-diethyl-4,6-dimethylbenzene, C12H16Br2 (BEMB2).

    Original languageEnglish
    Pages (from-to)244-255
    Number of pages12
    JournalActa Crystallographica Section A: Foundations of Crystallography
    Volume57
    Issue number3
    DOIs
    Publication statusPublished - May 2001

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