Iron coordination in liquid FeAl2O4

James W E Drewitt; Adrian C Barnes; Sandro Jahn; Richard A Brooker; Louis Hennet; Daniel R Neuville; Henry E. Fischer

doi:10.1098/rsta.2022.0351

Iron coordination in liquid FeAl2O4

James W E Drewitt^*
, Adrian C Barnes
, Sandro Jahn
, Richard A Brooker
, Louis Hennet
, Daniel R Neuville
, Henry E. Fischer

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

5 Citations (Scopus)

65 Downloads (Pure)

Abstract

The structure of aerodynamically levitated liquid FeAl2O4 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 FeAl2O4 may be considered as an ionic liquid without any preference for particular short-range structural motifs.

Original language	English
Article number	20220351
Pages (from-to)	20220351
Number of pages	13
Journal	Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
Volume	381
Issue number	2258
Early online date	28 Aug 2023
DOIs	https://doi.org/10.1098/rsta.2022.0351
Publication status	Published - 16 Oct 2023

Bibliographical note

Funding Information:
This work was supported by the EPSRC (grant no. EP/V001736/1) to A.C.B. and J.W.E.D. Acknowledgements

Publisher Copyright:
© 2023 The Authors.

Access to Document

10.1098/rsta.2022.0351Licence: CC BY

Full-text PDF (final published version)
This is the final published version of the article (version of record). It first appeared online via Royal Society Publishing at https://doi.org/10.1098/rsta.2022.0351. Please refer to any applicable terms of use of the publisher
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Fabrication of novel glasses and glass micro-spheres by acoustic levitation and laser heating.
Barnes, A. C. (Principal Investigator)
1/11/20 → 31/10/23
Project: Research

Data from Drewitt et al RSTA 2023
Drewitt, J. (Creator), Barnes, A. (Creator) & Jahn, S. (Contributor), University of Bristol, 3 Apr 2023
DOI: 10.5523/bris.w9d5ypz91ltv2wksargnm510s, http://data.bris.ac.uk/data/dataset/w9d5ypz91ltv2wksargnm510s
Dataset
Neutron diffraction with isotope substitution study of levitated liquid Fe2SiO4
Drewitt, J. W. E. (Creator), BARNES, A. C. (Creator), Laurent, C. (Creator), Fischer, H. E. (Creator), Louis, H. (Creator), Simon, K. (Creator), Neuville, D. R. (Creator) & Michael, W. (Creator), Institut Laue-Langevin (ILL), 2019
DOI: 10.5291/ill-data.6-03-441, https://doi.ill.fr/10.5291/ILL-DATA.6-03-441
Dataset

Research Data Storage Facility (RDSF)
Alam, S. R. (Manager), Williams, D. A. G. (Manager) & Eccleston, P. E. (Manager)
IT Services
Facility/equipment: Facility

Cite this

@article{6596135dd900487883f9b116aa3fd3aa,

title = "Iron coordination in liquid FeAl2O4",

abstract = "The structure of aerodynamically levitated liquid FeAl2O4 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 FeAl2O4 may be considered as an ionic liquid without any preference for particular short-range structural motifs. ",

author = "Drewitt, \{James W E\} and Barnes, \{Adrian C\} and Sandro Jahn and Brooker, \{Richard A\} and Louis Hennet and Neuville, \{Daniel R\} and Fischer, \{Henry E.\}",

note = "Funding Information: This work was supported by the EPSRC (grant no. EP/V001736/1) to A.C.B. and J.W.E.D. Acknowledgements Publisher Copyright: {\textcopyright} 2023 The Authors.",

year = "2023",

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doi = "10.1098/rsta.2022.0351",

language = "English",

volume = "381",

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journal = "Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences",

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T1 - Iron coordination in liquid FeAl2O4

AU - Drewitt, James W E

AU - Barnes, Adrian C

AU - Jahn, Sandro

AU - Brooker, Richard A

AU - Hennet, Louis

AU - Neuville, Daniel R

AU - Fischer, Henry E.

PY - 2023/10/16

Y1 - 2023/10/16

N2 - The structure of aerodynamically levitated liquid FeAl2O4 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 FeAl2O4 may be considered as an ionic liquid without any preference for particular short-range structural motifs.

AB - The structure of aerodynamically levitated liquid FeAl2O4 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 FeAl2O4 may be considered as an ionic liquid without any preference for particular short-range structural motifs.

U2 - 10.1098/rsta.2022.0351

DO - 10.1098/rsta.2022.0351

M3 - Article (Academic Journal)

C2 - 37634537

SN - 1364-503X

VL - 381

SP - 20220351

JO - Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

JF - Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

IS - 2258

M1 - 20220351

ER -

Iron coordination in liquid FeAl2O4

Abstract

Bibliographical note

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Projects

Fabrication of novel glasses and glass micro-spheres by acoustic levitation and laser heating.

Datasets

Data from Drewitt et al RSTA 2023

Neutron diffraction with isotope substitution study of levitated liquid Fe2SiO4

Equipment

Research Data Storage Facility (RDSF)

Cite this