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Defect processes in MgAl2O4 spinel

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Defect processes in MgAl2O4 spinel. / Ball, J. A.; Murphy, S. T.; Grimes, R. W. et al.
In: Solid State Sciences, Vol. 10, No. 6, 06.2008, p. 717-724.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Ball, JA, Murphy, ST, Grimes, RW, Bacorisen, D, Smith, R, Uberuaga, BP & Sickafus, KE 2008, 'Defect processes in MgAl2O4 spinel', Solid State Sciences, vol. 10, no. 6, pp. 717-724. https://doi.org/10.1016/j.solidstatesciences.2007.04.005

APA

Ball, J. A., Murphy, S. T., Grimes, R. W., Bacorisen, D., Smith, R., Uberuaga, B. P., & Sickafus, K. E. (2008). Defect processes in MgAl2O4 spinel. Solid State Sciences, 10(6), 717-724. https://doi.org/10.1016/j.solidstatesciences.2007.04.005

Vancouver

Ball JA, Murphy ST, Grimes RW, Bacorisen D, Smith R, Uberuaga BP et al. Defect processes in MgAl2O4 spinel. Solid State Sciences. 2008 Jun;10(6):717-724. doi: 10.1016/j.solidstatesciences.2007.04.005

Author

Ball, J. A. ; Murphy, S. T. ; Grimes, R. W. et al. / Defect processes in MgAl2O4 spinel. In: Solid State Sciences. 2008 ; Vol. 10, No. 6. pp. 717-724.

Bibtex

@article{a38740dc8708445c8989d30365aa82e5,
title = "Defect processes in MgAl2O4 spinel",
abstract = "In perfect normal MgAl2O4 spinel the Mg2+ ions occupy tetrahedral 8a sites and Al3+ ions occupy octahedral 16d sites. In reality some cations are exchanged between the cation sublattices forming pairs of antisite defects and thus a degree of {"}inversion{"}. Here atomic simulation is used to investigate the influence that antisite defects have on the population's of other intrinsic defects, those associated with Schottky and Frenkel reactions. One consequence is that the total magnesium interstitial concentration is increased substantially over the aluminium interstitial concentration and the magnesium vacancy concentration is increased over the aluminium vacancy concentration but to a much smaller extent. The split structures of isolated interstitial defects and the stability of various defect clusters are also discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.",
keywords = "spinel, point defect, defect equilibrium, oxide, MAGNESIUM ALUMINATE SPINEL, MICROSTRUCTURAL EVOLUTION, CATION DISTRIBUTIONS, SOLID-SOLUTIONS, SINGLE-CRYSTAL, AMORPHIZATION, REFRACTORIES, PARAMETER, ENERGIES, DISORDER",
author = "Ball, {J. A.} and Murphy, {S. T.} and Grimes, {R. W.} and D. Bacorisen and R. Smith and Uberuaga, {B. P.} and Sickafus, {K. E.}",
year = "2008",
month = jun,
doi = "10.1016/j.solidstatesciences.2007.04.005",
language = "English",
volume = "10",
pages = "717--724",
journal = "Solid State Sciences",
issn = "1293-2558",
publisher = "ELSEVIER SCIENCE BV",
number = "6",
note = "99th Bunsen Colloquium on Solid State Reactivity from Macro to Nano ; Conference date: 07-06-2007 Through 09-07-2007",

}

RIS

TY - JOUR

T1 - Defect processes in MgAl2O4 spinel

AU - Ball, J. A.

AU - Murphy, S. T.

AU - Grimes, R. W.

AU - Bacorisen, D.

AU - Smith, R.

AU - Uberuaga, B. P.

AU - Sickafus, K. E.

PY - 2008/6

Y1 - 2008/6

N2 - In perfect normal MgAl2O4 spinel the Mg2+ ions occupy tetrahedral 8a sites and Al3+ ions occupy octahedral 16d sites. In reality some cations are exchanged between the cation sublattices forming pairs of antisite defects and thus a degree of "inversion". Here atomic simulation is used to investigate the influence that antisite defects have on the population's of other intrinsic defects, those associated with Schottky and Frenkel reactions. One consequence is that the total magnesium interstitial concentration is increased substantially over the aluminium interstitial concentration and the magnesium vacancy concentration is increased over the aluminium vacancy concentration but to a much smaller extent. The split structures of isolated interstitial defects and the stability of various defect clusters are also discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.

AB - In perfect normal MgAl2O4 spinel the Mg2+ ions occupy tetrahedral 8a sites and Al3+ ions occupy octahedral 16d sites. In reality some cations are exchanged between the cation sublattices forming pairs of antisite defects and thus a degree of "inversion". Here atomic simulation is used to investigate the influence that antisite defects have on the population's of other intrinsic defects, those associated with Schottky and Frenkel reactions. One consequence is that the total magnesium interstitial concentration is increased substantially over the aluminium interstitial concentration and the magnesium vacancy concentration is increased over the aluminium vacancy concentration but to a much smaller extent. The split structures of isolated interstitial defects and the stability of various defect clusters are also discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.

KW - spinel

KW - point defect

KW - defect equilibrium

KW - oxide

KW - MAGNESIUM ALUMINATE SPINEL

KW - MICROSTRUCTURAL EVOLUTION

KW - CATION DISTRIBUTIONS

KW - SOLID-SOLUTIONS

KW - SINGLE-CRYSTAL

KW - AMORPHIZATION

KW - REFRACTORIES

KW - PARAMETER

KW - ENERGIES

KW - DISORDER

U2 - 10.1016/j.solidstatesciences.2007.04.005

DO - 10.1016/j.solidstatesciences.2007.04.005

M3 - Journal article

VL - 10

SP - 717

EP - 724

JO - Solid State Sciences

JF - Solid State Sciences

SN - 1293-2558

IS - 6

T2 - 99th Bunsen Colloquium on Solid State Reactivity from Macro to Nano

Y2 - 7 June 2007 through 9 July 2007

ER -