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Migration of fluorine in fluorapatite - a concerted mechanism

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Migration of fluorine in fluorapatite - a concerted mechanism. / Jay, Eleanor E.; Rushton, Michael J. D.; Grimes, Robin W.
In: Journal of Materials Chemistry, Vol. 22, No. 13, 2012, p. 6097-6103.

Research output: Contribution to journal › Article › peer-review

HarvardHarvard

Jay, EE, Rushton, MJD & Grimes, RW 2012, 'Migration of fluorine in fluorapatite - a concerted mechanism', Journal of Materials Chemistry, vol. 22, no. 13, pp. 6097-6103. https://doi.org/10.1039/c2jm16235k

APA

Jay, E. E., Rushton, M. J. D., & Grimes, R. W. (2012). Migration of fluorine in fluorapatite - a concerted mechanism. Journal of Materials Chemistry, 22(13), 6097-6103. https://doi.org/10.1039/c2jm16235k

CBE

Jay EE, Rushton MJD, Grimes RW. 2012. Migration of fluorine in fluorapatite - a concerted mechanism. Journal of Materials Chemistry. 22(13):6097-6103. https://doi.org/10.1039/c2jm16235k

MLA

Jay, Eleanor E., Michael J. D. Rushton and Robin W. Grimes. "Migration of fluorine in fluorapatite - a concerted mechanism". Journal of Materials Chemistry. 2012, 22(13). 6097-6103. https://doi.org/10.1039/c2jm16235k

VancouverVancouver

Jay EE, Rushton MJD, Grimes RW. Migration of fluorine in fluorapatite - a concerted mechanism. Journal of Materials Chemistry. 2012;22(13):6097-6103. doi: 10.1039/c2jm16235k

Author

Jay, Eleanor E. ; Rushton, Michael J. D. ; Grimes, Robin W. / Migration of fluorine in fluorapatite - a concerted mechanism. In: Journal of Materials Chemistry. 2012 ; Vol. 22, No. 13. pp. 6097-6103.

RIS

TY - JOUR

T1 - Migration of fluorine in fluorapatite - a concerted mechanism

AU - Jay, Eleanor E.

AU - Rushton, Michael J. D.

AU - Grimes, Robin W.

PY - 2012

Y1 - 2012

N2 - Molecular dynamics simulations, used in conjunction with a set of classical pair potentials, have been employed to investigate the transport of fluorine in fluorapatite. A new coupled interstitial migration mechanism is identified with a migration activation energy of 0.55 eV in the temperature range 1100-1500 K. A full description of the mechanism is provided, which differs markedly from previously proposed vacancy mechanisms for fluorine transport.

AB - Molecular dynamics simulations, used in conjunction with a set of classical pair potentials, have been employed to investigate the transport of fluorine in fluorapatite. A new coupled interstitial migration mechanism is identified with a migration activation energy of 0.55 eV in the temperature range 1100-1500 K. A full description of the mechanism is provided, which differs markedly from previously proposed vacancy mechanisms for fluorine transport.

U2 - 10.1039/c2jm16235k

DO - 10.1039/c2jm16235k

M3 - Erthygl

VL - 22

SP - 6097

EP - 6103

JO - Journal of Materials Chemistry

JF - Journal of Materials Chemistry

SN - 0959-9428

IS - 13

ER -