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Article Dans Une Revue Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences Année : 2023

Iron coordination in liquid FeAl_2O_4

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The structure of aerodynamically levitated liquid FeAl 2 O 4 was measured by neutron diffraction with isotope substitution (NDIS). Classical and ab initio molecular dynamics simulations were performed and their results were found to be in close agreement with each other and the NDIS data. The results reveal that molten FeAl 2 O 4 may be considered as an ionic liquid without any preference for particular short-range structural motifs. This article is part of the theme issue ‘Exploring the length scales, timescales and chemistry of challenging materials (Part 1)’.
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hal-04189043 , version 1 (29-08-2023)

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James Drewitt, Adrian Barnes, Sandro Jahn, Richard Brooker, Louis Hennet, et al.. Iron coordination in liquid FeAl_2O_4. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2023, 381 (2258), ⟨10.1098/rsta.2022.0351⟩. ⟨hal-04189043⟩
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