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
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author Drewitt, James W. E.
Barnes, Adrian C.
Jahn, Sandro
Brooker, Richard A.
Hennet, Louis
Neuville, Daniel R.
Fischer, Henry E.
author_facet Drewitt, James W. E.
Barnes, Adrian C.
Jahn, Sandro
Brooker, Richard A.
Hennet, Louis
Neuville, Daniel R.
Fischer, Henry E.
author_sort Drewitt, James W. E.
collection PubMed
description 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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spelling pubmed-104606472023-08-28 Iron coordination in liquid FeAl(2)O(4) Drewitt, James W. E. Barnes, Adrian C. Jahn, Sandro Brooker, Richard A. Hennet, Louis Neuville, Daniel R. Fischer, Henry E. Philos Trans A Math Phys Eng Sci Articles 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)’. The Royal Society 2023-10-16 2023-08-28 /pmc/articles/PMC10460647/ /pubmed/37634537 http://dx.doi.org/10.1098/rsta.2022.0351 Text en © 2023 The Authors. https://creativecommons.org/licenses/by/4.0/Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, provided the original author and source are credited.
spellingShingle Articles
Drewitt, James W. E.
Barnes, Adrian C.
Jahn, Sandro
Brooker, Richard A.
Hennet, Louis
Neuville, Daniel R.
Fischer, Henry E.
Iron coordination in liquid FeAl(2)O(4)
title Iron coordination in liquid FeAl(2)O(4)
title_full Iron coordination in liquid FeAl(2)O(4)
title_fullStr Iron coordination in liquid FeAl(2)O(4)
title_full_unstemmed Iron coordination in liquid FeAl(2)O(4)
title_short Iron coordination in liquid FeAl(2)O(4)
title_sort iron coordination in liquid feal(2)o(4)
topic Articles
url 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
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