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High-Pressure Crystallography pp 237–256Cite as

Reverse Monte Carlo Modelling of Diffraction Data : Structural Studies of Amorphous Ices

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Part of the book series: NATO Science Series ((NAII,volume 140))

Abstract

During the first of the two lectures, the Reverse Monte Carlo (RMC) technique, a method for modelling the structure of disordered materials, is introduced. Generalities concerning the application of RMC for molecular systems are discussed and then, the use of RMC for modelling structural disorder in crystals is mentioned. The second lecture will be devoted to the analyses of the structure of amorphous ices: the application of the Reverse Monte Carlo method in this respect will be shown in detail, together with a general discussion of diffraction results that have appeared very recently.

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Author information

Authors and Affiliations

  1. Research Institutefor Solid State Physics and Optics, Hungarian Academy of Sciences Budapest, P.O.Box 49, H-1525, Hungary

    L. Pusztai

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  1. L. Pusztai
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Editor information

Editors and Affiliations

  1. Faculty of Chemistry, Adam Mickiewicz University, Poznań, Poland

    Andrzej Katrusiak

  2. Department of Chemistry, University College London, UK

    Paul McMillan

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Pusztai, L. (2004). Reverse Monte Carlo Modelling of Diffraction Data : Structural Studies of Amorphous Ices. In: Katrusiak, A., McMillan, P. (eds) High-Pressure Crystallography. NATO Science Series, vol 140. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-2102-2_15

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  • DOI: https://doi.org/10.1007/978-1-4020-2102-2_15

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-1-4020-1954-8

  • Online ISBN: 978-1-4020-2102-2

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