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Thermodynamic properties of mgsio majorite and mg sio

  • The MgSiO 3 system at high pressure: Thermodynamic

    We present new equation-of-state (EoS) data acquired by shock loading to pressures up to 245 GPa on both low-density samples (MgSiO 3 glass) and high-density, polycrystalline aggregates (MgSiO 3 perovskite + majorite). The latter samples were synthesized using a large-volume press. Modeling indicates that these materials transform to perovskite, postperovskite, and/or melt with increasing

  • Thermodynamic properties of MgSiO3 majorite and phase

    Thermodynamic properties of MgSiO 3 majorite and phase transitions near 660 km depth in MgSiO 3 and Mg 2 SiO 4: A first principles study Yonggang G. Yu. [email protected]; Department of Geosciences, ia Polytechnic Institute and State University, Blacksburg, ia, USA.

  • Computer simulation of the structure, lattice dynamicso

    Computer simulation of the structure, lattice dynamicso and thermodynamics of ilmenite-type MgSiO, Ar.rsoN Walq Grorrnnv D. PnIcn Department of Geological Sciences, University College London, Gower Street, London WCIE 68T, U.K. Ansrn.q.cr The (Mg,Fe)SiO, phase of ilmenite structure type may be a constituent of the Earth's

  • Thermoelastic properties of MgSiO 3 -majorite at high

    Jun 01, 2020· MgSiO 3-majorite, Mg 3 (Mg,Si)[SiO 4] 3, is a garnet-structured mineral with tetragonal space group I4 1 /a.The crystal structure of MgSiO 3-majorite includes three different types of polyhedra: tetrahedra, octahedra, and dodecahedra.Tetrahedral sites are occupied by Si 4+, octahedral sites are occupied by Mg 2+ and Si 4+ and dodecahedral sites are occupied by Mg 2+ ().

  • Thermodynamic properties of MgSiO 3 majorite and phase

    Feb 01, 2011· Thermodynamic properties of MgSiO 3 tetragonal majorite have been calculated at high pressures and temperatures within the quasi-harmonic approximation based on density functional theory using the local density approximation (LDA) and the generalized gradient approximation (GGA). The LDA results compare exceptionally well with measured thermodynamic properties.

  • The system MgO-Al2O3-SiO2 under pressure: A computational

    Jun 20, 2017· The eutectic point between MgSiO 3 and SiO 2 is only slightly affected by pressure, while the eutectic point between Mg 2 SiO 4 and MgSiO 3 is more markedly shifted towards Mg-rich compositions (i.e. from X SiO2 = 0.45 at P = 5 GPa to X SiO2 = 0.42 at P = 25 GPa). 3.2.2. Al 2 O 3-SiO 2

  • Critical vaporization of MgSiO3 PNAS

    May 22, 2018· However, the Mg/Si ratio of forsterite is very different from that of the bulk silicate Earth, which is much closer to that of our system (Mg/Si = 1.3). Moreover, thermodynamic modeling of the Mg 2 SiO 4 SiO 2 system, based on experimental observations, suggests that Earth-like compositions vaporize incongruently to Mg-poor vapor at low

  • Structural, vibrational and thermodynamic properties of Mg

    1204 Thermodynamic properties of mgsio3 majorite and phase transitions near 1205 660 km depth in MgSiO 3 and Mg 2 SiO 4: A rst principles study. J Geophys 1206 Res-Sol Ea 116, B02208. 1207 Yusa, H., Akaogi, M., Ito, E., 1993. Calorimetric study of MgSiO 3 garnet and 1208 pyroxene - Heat capacities, transition enthalpies, and equilibrium phase

  • Thermodynamic and transport properties of meteor melt

    Request PDF Thermodynamic and transport properties of meteor melt constituents from ab initio simulations: MgSiO 3, SiO 2, and MgO Recent experiments have suggested that melt flow plays a

  • (PDF) Thermodynamic properties of MgSiO3 majorite and

    Thermodynamic properties of MgSiO3 tetragonal majorite have been calculated at high pressures and temperatures within the quasi-harmonic approximation based on density functional theory using the

  • Thermodynamic properties of MgSiO 3 - SpringerLink

    Ito E, Takahashi E (1989) Postspinel transformations in the system Mg 2 SiO 4 Fe 2 SiO 4 and some geophysical implications. J Geophys Res 94:10,63710,646 Google Scholar Ito E, Akaogi M, Topor L, Navrotsky A (1990) Negative Pressuretemperature slopes for reactions forming MgSiO

  • Thermodynamic data for phases in the FeO-MgO-SiO 2 system

    Based on the available experimental data on phase equilibria in the FeO -MgO -SiO 2 system the mixing properties of the solid solutions (olivine, β- and γ-spinel, pyroxene, majorite, ilmenite and perovskite and magnesiowustite), the enthalpies of FeO and fictive FeSiO 3 phases with ilmenite and majorite structures have been assessed. The entropies, temperature dependance of heat capacities

  • Thermodynamic assessment of the MgOAl2O3SiO2 system

    Apr 01, 2005· Thermodynamic properties of the phases in the MgOAl 2 O 3 SiO 2 system were assessed, resulting in a set of self-consistent thermodynamic data. The two ternary compounds, cordierite and sapphirine, were optimized from subsolidus reactions.

  • Thermodynamics of mantle minerals - II. Phase equilibria

    1 Introduction. Central to the goals of geophysics is an elucidation of the ways in which material behaviour governs planetary processes. Differentiation into crust, mantle and core, dynamics, thermal evolution and the generation of magnetic fields, are all controlled by the physical properties and phase equilibria of planetary materials.

  • Thermodynamic properties of MgSiO majorite and Mg SiO

    Thermodynamic properties of MgSiO 3 majorite and phase transitions near 660 km depth in MgSiO 3 and Mg 2SiO 4: A first principles study Yonggang G. Yu,1,2 Renata M. Wentzcovitch,3,4 Victor L. Vinograd,5 and Ross J. Angel1 Received 6 August 2010; revised 22 November 2010; accepted 22 December 2010; published 25 February 2011.

  • Comparative Raman spectroscopic study on ilmenite-type

    MgSiO. 3. already have been investigated up to 1030 K at ambient pressure and 7 GPa at room temperature (Reynard and Rubie 1996). They concluded that the intrinsic anharmonic correc-tions to the thermodynamic properties of ilmenite are probably insignificant. Chopelas (1999) calculated . C. V. from the spectra of MgSiO. 3

  • Thermodynamic properties of MgSiO3 at super-Earth mantle

    @article{osti_1548350, title = {Thermodynamic properties of MgSiO3 at super-Earth mantle conditions}, author = {Fratanduono, D. E. and Millot, M. and Kraus, R. G. and Spaulding, D. K. and Collins, G. W. and Celliers, P. M. and Eggert, J. H.}, abstractNote = {Recent discoveries of terrestrial exoplanets distant from our solar system motivate laboratory experiments that provide insight into

  • Thermoelastic properties of MgSiO3-majorite at high

    challenges in measuring elastic properties at simultaneously high MgSiO 3-majorite,Mg 3(Mg,Si)[SiO 4] 3,isagarnet-structuredmineral with tetragonal space group I4 1/a. The crystal structure of

  • Structural, vibrational and thermodynamic properties of

    Mar 01, 2015· In this paper we report a computational study of the structural and vibrational properties of the Mg-end members forsterite, wadsleyite and ringwoodite of Mg 2 SiO 4, and akimotoite, majorite and the perovskite phase of MgSiO 3.Our calculations have been carried out in the framework of Density Functional Theory (DFT) using a plane wave basis set and the Projector-augmented Wave (PAW)

  • Thermodynamic properties of MgSiO 3 - SpringerLink

    Ito E, Takahashi E (1989) Postspinel transformations in the system Mg 2 SiO 4 Fe 2 SiO 4 and some geophysical implications. J Geophys Res 94:10,63710,646 Google Scholar Ito E, Akaogi M, Topor L, Navrotsky A (1990) Negative Pressuretemperature slopes for reactions forming MgSiO

  • LiquidStatePhysicsoftheMgO-SiO System at Deep Mantle

    3.8 Thermodynamic properties of FPMD MgSiO3 perovskite at 0GPa, 2000K . . . . 80 4.1 Thermodynamic properties of mixed liquids on the MgO-SiO 2

  • Structural, vibrational and thermodynamic properties of Mg

    In this paper we report a computational study of the structural and vibrational properties of the Mg-end members forsterite, wadsleyite and ringwoodite of Mg 2 SiO 4 , and akimotoite, majorite and the perovskite phase of MgSiO 3 . Our calculations have been carried out in the framework of Density Functional Theory (DFT) using a plane wave basis set and the Projector-augmented Wave (PAW)

  • Density functional theory calculations and thermodynamic

    termined thermodynamic data32 is shown in Fig 2 a and b. The precipitation criteria listed above for the various combinations of SiO 2 and MgSiO 3 are shown in Fig 2 c and d. In the Dm graph, MgO precipitates at the top left of the MgO line, and SiO 2 pre-cipitates below the SiO 2 line. The bridgmanite MgSiO 3 phase is stable below the MgO line

  • Thermoelastic properties of MgSiO 3 -majorite at high

    Jun 01, 2020· MgSiO 3-majorite, Mg 3 (Mg,Si)[SiO 4] 3, is a garnet-structured mineral with tetragonal space group I4 1 /a.The crystal structure of MgSiO 3-majorite includes three different types of polyhedra: tetrahedra, octahedra, and dodecahedra.Tetrahedral sites are occupied by Si 4+, octahedral sites are occupied by Mg 2+ and Si 4+ and dodecahedral sites are occupied by Mg 2+ ().

  • Shifts in thermal expansivity with Fe content for solid

    the Vinet equation of state to calculate thermoelastic properties. Using a thermodynamic approach applied to the properties of a Debye solid, the data show that the relative shift MgSiO 3 Mg 0.9Fe 0.1SiO 3 T (K) a (1025/K) MgSiO 3 Mg 0.9Fe 0.1SiO 3 400 600 800 1000 1200 1.936 2.301 2.484 2.606 2.704 1.930 2.294 2.476 2.597 2.693 1400 1600

  • The MgSiO system at high pressure: Thermodynamic

    The MgSiO 3 system at high pressure: Thermodynamic properties of perovskite, postperovskite, and melt from global inversion of shock and static compression data Jed L. Mosenfelder,1 Paul D. Asimow,1 Daniel J. Frost,2 David C. Rubie,2 and Thomas J. Ahrens1,3 Received 26 June 2008; accepted 3 November 2008; published 14 January 2009.

  • Thermodynamic and transport properties of meteor melt

    Jun 17, 2019· Such simulations are performed here to characterize the melt properties of enstatite (MgSiO 3), which is prevalent in certain types of chondrites, and its constitutive oxides (SiO 2 and MgO). The structure, thermodynamic properties (density, bulk modulus, heat capacity, and coefficient of thermal expansion), and transport properties (diffusion

  • Lattice dynamics and thermodynamic properties of (Mg,Fe2

    Aug 10, 2011· Thermodynamic properties of MgSiO 3 and HS/LS (Mg 0.9375 Fe 0.0625)SiO 3 postperovskite calculated with supercell 2. (a) Pressurevolume equation of state at 300, 1000, 2000, 3000 and 4000 K isotherms. A comparison with the experimental data of Shieh et al. is also provided.

  • Thermodynamic properties of MgSiO3 majorite and phase

    Thermodynamic properties of MgSiO 3 majorite and phase transitions near 660 km depth in MgSiO 3 and Mg 2 SiO 4: A first principles study Yonggang G. Yu [email protected]

  • Thermoelastic properties of MgSiO 3 -majorite at high

    As the major component of garnet, the second most abundant phase in Earth's transition zone, MgSiO 3-majorite plays a fundamental role in controlling the state and dynamics of Earth's mantle.However, due to challenges of experiments and simulations, there are still very limited data on the elastic properties of MgSiO 3-majorite at simultaneously high temperatures and pressures.

  • Majorite - Wikipedia

    Majorite is a type of garnet mineral found in the mantle of the Earth. Its chemical formula is Mg 3 (MgSi)(SiO 4) 3.It is distinguished from other garnets in having Si in octahedral as well as tetrahedral coordination. Majorite was first described in 1970 from the Coorara Meteorite of Western Australia and has been reported from various other meteorites in which majorite is thought to result

  • MgSiO3 post-perovskite: thermodynamic properties and

    thermodynamics state expected in the D region. Recently, a post-perovskite ( ppv ) transition in MgSiO 3 was found by in situ X-ray diffraction in a diamond anvil cell at ~2500 K and ~125 GPa

  • The lattice dynamics and thermodynamics of the Mg2SiO4

    Akaogi M, Ross NL, McMillan P, Navrotsky A (1984) The Mg 2 SiO 4 polymorphs (olivine, modified spinel and spinel) thermodynamic properties from oxide melt solution calorimetry, phase relations and models of lattice vibrations. Am Mineral 69:499512 Google Scholar

  • Thermodynamic properties of

    Thermodynamic properties of Mg 2SiO 4 liquid at ultra-high pressures from shock measurements to 200 GPa on forsterite and wadsleyite Jed L. Mosenfelder,1 Paul D. Asimow,1 and Thomas J. Ahrens1,2 Received 24 February 2006; revised 22 November 2006; accepted 1

  • Publications - Wentzcovitch Group

    Y.Yu, R. M. Wentzcovitch, V. Vinograd, and R. J. Angel, Thermodynamic properties of MgSiO 3 majorite and phase transitions near 660-km depth in MgSiO 3 and Mg 2 SiO 4: a first principles study, Journal of Geophysical Research: Solid Earth (2011) online

  • Physics of the Earth and Planetary Interiors

    Thermodynamics of minerals Mantle transition zone First principles simulation abstract In this paper we report a computational study of the structural and vibrational properties of the Mg-end members forsterite, wadsleyite and ringwoodite of Mg 2SiO 4, and akimotoite, majorite and the perovskite phase of MgSiO 3. Our calculations have been

  • Decomposition boundary from high-pressure clinoenstatite

    Circles, squares, and triangles denote the stability conditions of single phase MgSiO 3, Mg 2 SiO 4 wadsleyite, and SiO 2 stishovite, and Mg 2 SiO 4 ringwoodite and SiO 2 stishovite, respectively. Diamonds denote the two phases of SiO 2 and Mg 2 SiO 4 , which structure could not be identified by X-ray diffraction data because diffraction peaks

  • Structural and thermodynamic properties of MgSiO 3

    Nov 01, 2007· The structural and thermodynamic properties of MgSiO 3 perovskite is simulated using the constant temperature and pressure molecular dynamics simulations method combined with effective pair potentials consisting of Coulomb, dispersion, and repulsion interaction at high temperature and high pressure. It is shown that the simulated molar volume of MgSiO 3 perovskite is very

  • Phase changes and thermodynamic properties of CaTiO3

    Price GD, Parker SC, Leslie M (1987) The lattice dynamics and thermodynamics of the Mg 2 SiO 4 polymorphs. Phys Chem Minerals 15:181190 Google Scholar Richet P, Gillet Ph, Fiquet G (1992) Thermodynamic properties of minerals: macroscopic and microscopic approaches.

  • Prediction of a hexagonal SiO phase MgSiO and CaSiO at

    in SiO 2 on the stability of MgSiO 3 and CaSiO 3 at multimegabar pressures. A postperovskite phase of MgSiO 3 breaks down at 1.04 TPa along an assumed adiabat of super-Earths and yields Fe 2P-type SiO 2 and CsCl (B2)-type MgO. CaSiO 3 perovskite, on the other hand, directly dissociates into SiO 2 and metallic CaO, skip-

  • Thermodynamic properties of (Mg,Fe2+)SiO3 perovskite at

    Thermodynamic properties of MgSiO 3 and HS/LS (Mg 0.9375 Fe 0.0625)SiO 3 Pv. (a) Pressure-volume equation of state at 300, 1000, 2000, 3000 and 4000 K isotherms. A comparison with the experimental data of Andrault (2001) (1) and Lundin (2008) (2) is also provided.

  • Thermodynamic properties of MgSiO 3 majorite and phase

    Thermodynamic properties of MgSi O 3 tetragonal majorite have been calculated at high P - T within the quasiharmonic approximation based on DFT using both LDA and GGA. The LDA results compare exceptionally well with measured thermodynamic properties. A classical Monte Carlo simulation based on a cluster expansion method demonstrates that disorder between Mg and Si in the octahedral sites

  • Thermodynamic data for phases in the FeO-MgO

    phase majorite (Mg, Fe)SiO3 were studied by Kato (1986) SiO 2 system over wide P- T-com- position condition thermodynamic modeling can be Thermodynamic properties and equation of state param-


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