Iron coordination in liquid FeAl(2)O(4)

The structure of aerodynamically levitated liquid [Formula: see text] 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. T...

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Detalles Bibliográficos
Autores principales: Drewitt, James W. E., Barnes, Adrian C., Jahn, Sandro, Brooker, Richard A., Hennet, Louis, Neuville, Daniel R., Fischer, Henry E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2023
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10460647/
https://www.ncbi.nlm.nih.gov/pubmed/37634537
http://dx.doi.org/10.1098/rsta.2022.0351
Descripción
Sumario:The structure of aerodynamically levitated liquid [Formula: see text] 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 [Formula: see text] 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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