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RMCProfile: reverse Monte Carlo for polycrystalline materials.

Abstract:

A new approach to the reverse Monte Carlo analysis of total scattering data from polycrystalline materials is presented. The essential new feature is the incorporation of an explicit analysis of the Bragg peaks using a profile refinement, taking account of the instrument resolution function. Other new features including fitting data from magnetic materials, modelling lattice site disorder and new restraint and constraint options. The new method is demonstrated by a brief review of studies car...

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Publication status:
Published

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Volume:
19
Issue:
33
Pages:
335218
Publication date:
2007-08-05
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:6ddb6fdc-37dd-498e-808b-e1bd8d7623ab
Source identifiers:
50662
Local pid:
pubs:50662

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