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Intermediate range chemical ordering of cations in simple molten alkali halides

Abstract:

The presence of first sharp diffraction peaks in the partial structure factors is investigated in computer simulations of molten mixtures of alkali halides. An intermediate range ordering appears for the Li + ions only, which is associated with clustering of this species and is not reflected in the arrangement of other ions. This ordering is surprising in view of the simplicity of the interionic interactions in alkali halides. The clustering reflects an incomplete mixi...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Role:
Author
Journal:
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume:
20
Issue:
33
Pages:
332101-332101
Publication date:
2008-08-20
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:826e83b8-cf01-408c-8259-bceb80434e06
Source identifiers:
416065
Local pid:
pubs:416065
Language:
English

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