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Journal article

Structure and dynamics in yttrium-based molten rare earth alkali fluorides.

Abstract:

The transport properties of molten LiF-YF3 mixtures have been studied by pulsed field gradient nuclear magnetic resonance spectroscopy, potentiometric experiments, and molecular dynamics simulations. The calculated diffusion coefficients and electric conductivities compare very well with the measurements across a wide composition range. We then extract static (radial distribution functions, coordination numbers distributions) and dynamic (cage correlation functions) quantities from the simula...

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Publication status:
Published

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Publisher copy:
10.1063/1.4802986

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Journal:
Journal of chemical physics
Volume:
138
Issue:
18
Pages:
184503
Publication date:
2013-05-01
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Source identifiers:
402277
Language:
English
Pubs id:
pubs:402277
UUID:
uuid:67701065-f8b6-4075-b231-9cce18758118
Local pid:
pubs:402277
Deposit date:
2013-11-16

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