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Thermodynamic properties and phase stability of wadsleyite II

The thermodynamical stability of a newly observed wadsleyite II phase in the Mg 2 SiO 4 system is studied by the density functional theory. The wadsleyite II equation of state has been derived. The phase boundaries of Mg 2 SiO 4 polymorphs: wadsleyite, wadsleyite II and ringwoodite are studied using... Full description

Journal Title: Physics and Chemistry of Minerals 2013, Vol.40(3), pp.251-257
Main Author: Tokár, Kamil
Other Authors: Jochym, Paweł , Piekarz, Przemysław , Łażewski, Jan , Sternik, Małgorzata , Parlinski, Krzysztof
Format: Electronic Article Electronic Article
Language: English
Subjects:
Quelle: Springer Science & Business Media B.V.
ID: ISSN: 0342-1791 ; E-ISSN: 1432-2021 ; DOI: 10.1007/s00269-013-0565-9
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recordid: springer_jour10.1007/s00269-013-0565-9
title: Thermodynamic properties and phase stability of wadsleyite II
format: Article
creator:
  • Tokár, Kamil
  • Jochym, Paweł
  • Piekarz, Przemysław
  • Łażewski, Jan
  • Sternik, Małgorzata
  • Parlinski, Krzysztof
subjects:
  • Wadsleyite II
  • Transition zone
  • Phonon density of states
  • Thermoelastic property
  • Phase transition
  • Quasi-harmonic approximation
ispartof: Physics and Chemistry of Minerals, 2013, Vol.40(3), pp.251-257
description: The thermodynamical stability of a newly observed wadsleyite II phase in the Mg 2 SiO 4 system is studied by the density functional theory. The wadsleyite II equation of state has been derived. The phase boundaries of Mg 2 SiO 4 polymorphs: wadsleyite, wadsleyite II and ringwoodite are studied using the quasi-harmonic approximation at high external pressures. Clapeyron slopes determined for wadsleyite II–ringwoodite and wadsleyite–wadsleyite II boundaries are 0.0047 and 0.0058 GPa/K, respectively. It is shown that the wadsleyite II phase is not thermodynamically preferred in the pure Mg 2 SiO 4 system and will probably not occur between wadsleyite and ringwoodite phases.
language: eng
source: Springer Science & Business Media B.V.
identifier: ISSN: 0342-1791 ; E-ISSN: 1432-2021 ; DOI: 10.1007/s00269-013-0565-9
fulltext: fulltext_linktorsrc
issn:
  • 1432-2021
  • 14322021
  • 0342-1791
  • 03421791
url: Link


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titleThermodynamic properties and phase stability of wadsleyite II
creatorTokár, Kamil ; Jochym, Paweł ; Piekarz, Przemysław ; Łażewski, Jan ; Sternik, Małgorzata ; Parlinski, Krzysztof
ispartofPhysics and Chemistry of Minerals, 2013, Vol.40(3), pp.251-257
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subjectWadsleyite II ; Transition zone ; Phonon density of states ; Thermoelastic property ; Phase transition ; Quasi-harmonic approximation
descriptionThe thermodynamical stability of a newly observed wadsleyite II phase in the Mg 2 SiO 4 system is studied by the density functional theory. The wadsleyite II equation of state has been derived. The phase boundaries of Mg 2 SiO 4 polymorphs: wadsleyite, wadsleyite II and ringwoodite are studied using the quasi-harmonic approximation at high external pressures. Clapeyron slopes determined for wadsleyite II–ringwoodite and wadsleyite–wadsleyite II boundaries are 0.0047 and 0.0058 GPa/K, respectively. It is shown that the wadsleyite II phase is not thermodynamically preferred in the pure Mg 2 SiO 4 system and will probably not occur between wadsleyite and ringwoodite phases.
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titleThermodynamic properties and phase stability of wadsleyite II
descriptionThe thermodynamical stability of a newly observed wadsleyite II phase in the Mg 2 SiO 4 system is studied by the density functional theory. The wadsleyite II equation of state has been derived. The phase boundaries of Mg 2 SiO 4 polymorphs: wadsleyite, wadsleyite II and ringwoodite are studied using the quasi-harmonic approximation at high external pressures. Clapeyron slopes determined for wadsleyite II–ringwoodite and wadsleyite–wadsleyite II boundaries are 0.0047 and 0.0058 GPa/K, respectively. It is shown that the wadsleyite II phase is not thermodynamically preferred in the pure Mg 2 SiO 4 system and will probably not occur between wadsleyite and ringwoodite phases.
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abstractThe thermodynamical stability of a newly observed wadsleyite II phase in the Mg 2 SiO 4 system is studied by the density functional theory. The wadsleyite II equation of state has been derived. The phase boundaries of Mg 2 SiO 4 polymorphs: wadsleyite, wadsleyite II and ringwoodite are studied using the quasi-harmonic approximation at high external pressures. Clapeyron slopes determined for wadsleyite II–ringwoodite and wadsleyite–wadsleyite II boundaries are 0.0047 and 0.0058 GPa/K, respectively. It is shown that the wadsleyite II phase is not thermodynamically preferred in the pure Mg 2 SiO 4 system and will probably not occur between wadsleyite and ringwoodite phases.
copBerlin/Heidelberg
pubSpringer-Verlag
doi10.1007/s00269-013-0565-9
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