Reverse Monte Carlo modelling of crystalline disorder

D. A. Keen; M. G. Tucker; M. T. Dove

doi:10.1088/0953-8984/17/5/002

Reverse Monte Carlo modelling of crystalline disorder

D. A. Keen, M. G. Tucker, M. T. Dove

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64 Scopus citations

Abstract

The reverse Monte Carlo (RMC) modelling method, although initially developed for interpreting structural data from liquids and amorphous materials, has been extensively applied to similar data from crystalline systems. This has been especially beneficial for materials which display a large amount of disorder. The work in this area will be briefly reviewed here, including a summary of the range of crystalline materials which have been studied using RMC modelling. Recent developments made specifically to improve the RMC modelling method for crystalline systems will also be described.

Original language	English
Pages (from-to)	S15-S22
Journal	Journal of Physics Condensed Matter
Volume	17
Issue number	5 SPEC. ISS.
DOIs	https://doi.org/10.1088/0953-8984/17/5/002
State	Published - Feb 9 2005
Externally published	Yes

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10.1088/0953-8984/17/5/002

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title = "Reverse Monte Carlo modelling of crystalline disorder",

abstract = "The reverse Monte Carlo (RMC) modelling method, although initially developed for interpreting structural data from liquids and amorphous materials, has been extensively applied to similar data from crystalline systems. This has been especially beneficial for materials which display a large amount of disorder. The work in this area will be briefly reviewed here, including a summary of the range of crystalline materials which have been studied using RMC modelling. Recent developments made specifically to improve the RMC modelling method for crystalline systems will also be described.",

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N2 - The reverse Monte Carlo (RMC) modelling method, although initially developed for interpreting structural data from liquids and amorphous materials, has been extensively applied to similar data from crystalline systems. This has been especially beneficial for materials which display a large amount of disorder. The work in this area will be briefly reviewed here, including a summary of the range of crystalline materials which have been studied using RMC modelling. Recent developments made specifically to improve the RMC modelling method for crystalline systems will also be described.

AB - The reverse Monte Carlo (RMC) modelling method, although initially developed for interpreting structural data from liquids and amorphous materials, has been extensively applied to similar data from crystalline systems. This has been especially beneficial for materials which display a large amount of disorder. The work in this area will be briefly reviewed here, including a summary of the range of crystalline materials which have been studied using RMC modelling. Recent developments made specifically to improve the RMC modelling method for crystalline systems will also be described.

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Reverse Monte Carlo modelling of crystalline disorder

Abstract

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