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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
Host title:
Journal of physics. Condensed matter : an Institute of Physics journal
Publication date:
2007-08-01
Event location:
England
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
Source identifiers:
50662
Pubs id:
pubs:50662
UUID:
uuid:6ddb6fdc-37dd-498e-808b-e1bd8d7623ab
Local pid:
pubs:50662
Deposit date:
2012-12-19

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