Thermodynamics of mantle minerals - I. Physical properties

Geophysical Journal International - Tập 162 Số 2 - Trang 610-632 - 2005
Lars Stixrude1, Carolina Lithgow‐Bertelloni1
1Department of Geological Sciences, University of Michigan, Ann Arbor, MI, USA. E-mail: [email protected]

Tóm tắt

Từ khóa


Tài liệu tham khảo

Agnon, 1990, Thermodynamic and elastic properties of a many-body model for simple oxides, Phys. Rev. B, 41, 7755, 10.1103/PhysRevB.41.7755

Akber-Knutson, 2002, On the structure and compressibility of CaSiO3 perovskite, Geophys. Res. Lett., 29, 1034, 10.1029/2001GL013523

Anderson, 1987, Thermally induced phase changes, lateral heterogeneity of the mantle, continental roots, and deep slab anomalies, J. geophys. Res., 92, 13968, 10.1029/JB092iB13p13968

Anderson, 1995, Equations of State of Solids for Geophysics and Ceramic Science, 10.1093/oso/9780195056068.001.0001

Anderson, 1995, Mineral Physics and Crystallography: A Handbook of Physical Constants, 64, 10.1029/RF002p0064

Anderson, 1968, Some elastic constant data on minerals relevant to geophysics, Rev. Geophys., 6, 491, 10.1029/RG006i004p00491

Andrault, 2003, Equation of state of stishovite to lower mantle pressures, Am. Mineral., 88, 301, 10.2138/am-2003-2-307

Angel, 1988, Comparative compressibility of end-member feldspars, Phys. Chem. Miner., 15, 313, 10.1007/BF00311034

Anovitz, 1993, Heat-capacity and phase-equilibria of almandine, Fe3Al2Si3O1 2, Geochim. cosmochim. Acta., 57, 4191, 10.1016/0016-7037(93)90315-N

Barron, 1957, The thermal properties of alkali halide crystals .2. analysis of experimental results, Proc. R. Soc. Lon. Ser.-A., 242, 478, 10.1098/rspa.1957.0190

Bass, 1995, Mineral Physics and Crystallography: A Handbook of Physical Constants, 45, 10.1029/RF002p0045

Bass, 1981, Elastic properties from acoustic and volume compression experiments, Phys. Earth planet. Int., 25, 140, 10.1016/0031-9201(81)90147-3

Berman, 1988, Internally-consistent thermodynamic data for minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2, J. Petrol., 29, 445, 10.1093/petrology/29.2.445

Birch, 1952, Elasticity and constitution of the earth's interior, J. geophys. Res., 57, 227, 10.1029/JZ057i002p00227

Boehler, 1980, Experimental results on the pressure-dependence of the gruneisen-parameter-a review, J. geophys. Res., 85, 6996, 10.1029/JB085iB12p06996

Bouhifd, 1996, Thermal expansion of forsterite up to the melting point, Geophys. Res. Lett., 23, 1143, 10.1029/96GL01118

Callen, 1960, Thermodynamics

Cammarano, 2003, Inferring upper-mantle temperatures from seismic velocities, Phys. Earth planet. Int., 138, 197, 10.1016/S0031-9201(03)00156-0

Carter, 1971, The equation of state of selected materials for high pressure reference, Accurate characterization of the high pressure environment, 147

Chaplot, 2002, Inelastic neutron scattering and lattice dynamics of minerals, Eur. J. Mineral., 14, 291, 10.1127/0935-1221/2002/0014-0291

Chopelas, 1999, Estimates of mantle relevant clapeyron slopes in the MgSiO3 system from high-pressure spectroscopic data, Am. Mineral., 84, 233, 10.2138/am-1999-0304

Conrad, 1999, The high-pressure, single-crystal elasticity of pyrope, grossular, and andradite, Am. Mineral., 84, 374, 10.2138/am-1999-0321

Dasilva, 1999, Ab initio study of the elastic behavior of MgSiO3 ilmenite at high pressure, Geophys. Res. Lett., 26, 943, 10.1029/1999GL900149

Davies, 1974, Effective elastic-moduli under hydrostatic stress.1. quasi-harmonic theory, J. Phys. Chem. Solids, 35, 1513, 10.1016/S0022-3697(74)80279-9

Davies, 1975, Homogeneity and constitution of earths lower mantle and outer core, Phys. Earth planet. Int., 10, 336, 10.1016/0031-9201(75)90060-6

Duffy, 1989, Seismic velocities in mantle minerals and the mineralogy of the upper mantle, J. Geophys. Res.-Solid, 94, 1895, 10.1029/JB094iB02p01895

Dziewonski, 1981, Preliminary reference earth model, Phys. Earth planet. Int., 25, 297, 10.1016/0031-9201(81)90046-7

Fei, 1995, Mineral Physics and Crystallography: A Handbook of Physical Constants, 29, 10.1029/RF002p0029

Fei, 1990, Internally consistent thermodynamic data and equilibrium phase-relations for compounds in the system mgo-sio2 at high-pressure and high-pressure and high-temperature, J. Geophys. Res.-Solid, 95, 6915, 10.1029/JB095iB05p06915

Fei, 1992, Simultaneous high-p, high-t X-Ray-Diffraction study of Beta-(Mg, Fe)2SiO4 to 26-gpa and 900-k, J. Geophys. Res.-Sol. Ea., 97, 4489, 10.1029/92JB00076

Fiquet, 1999, High-temperature thermal expansion of lime, periclase, corundum and spinel, Phys. Chem. Miner., 27, 103, 10.1007/s002690050246

Fiquet, 2000, Thermoelastic properties and crystal structure of MgSiO3 perovskite at lower mantle pressure and temperature conditions, Geophys. Res. Lett., 27, 21, 10.1029/1999GL008397

Flesch, 1998, Sound velocities of polycrystalline MgSiO3-orthopyroxene to 10 GPa at room temperature, Am. Mineral., 83, 444, 10.2138/am-1998-5-604

Frisillo, 1972, Measurement of single-crystal elastic-constants of bronzite as a function of pressure and temperature, J. geophys. Res., 77, 6360, 10.1029/JB077i032p06360

Ghiorso, 1995, Chemical mass-transfer in magmatic processes. 4. A revised and internally consistent thermodynamic model for the interpolation and extrapolation of liquid-solid equilibria in magmatic systems at elevated-temperatures and pressures, Contrib. Mineral. Petr., 119, 197, 10.1007/BF00307281

Gieske, 1968, Pressure dependence of elastic constants of single crystalline aluminum oxide, Phys. Status Solidi, 29, 121, 10.1002/pssb.19680290113

Hacker, 2003, Subduction factory-1. theoretical mineralogy, densities, seismic wave speeds, and H2O contents, J. Geophys. Res.-Sol. Ea., 108, B012029, 10.1029/2001JB001127

Harrison, 1998, The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements, Am. Mineral., 83, 1092, 10.2138/am-1998-9-1018

Haselton, 1987, Heat-capacities of synthetic hedenbergite, ferrobustamite, and CaFeSi2O6 glass, Geochim. cosmochim. Acta., 51, 2211, 10.1016/0016-7037(87)90270-5

Holland, 1990, An enlarged and updated internally consistent thermodynamic dataset with uncertainties and correlations-the system K2O-Na2O-CaO-MgO-MnO-FeO-Fe2O3-Al2O3-TiO2-SiO2-C-H2-O2, J. Metamorph. Geol., 8, 89, 10.1111/j.1525-1314.1990.tb00458.x

Holland, 1998, An internally consistent thermodynamic data set for phases of petrological interest, J. Metamorph. Geol., 16, 309, 10.1111/j.1525-1314.1998.00140.x

Hugh-Jones, 1997, Thermal expansion of MgSiO3 and FeSiO3 ortho- and clinopyroxenes, Am. Mineral., 82, 689, 10.2138/am-1997-7-806

Hugh-Jones, 1997, Effect of Ca2 + and Fe2 + on the equation of state of MgSiO3 orthopyroxene, J. Geophys. Res.-Sol. Ea., 102, 12333, 10.1029/96JB03485

Hugh-Jones, 1996, The transition of orthoferrosilite to high-pressure C2/c clinoferrosilite at ambient temperature, Eur. J. Mineral., 8, 1337, 10.1127/ejm/8/6/1337

Ita, 1992, Petrology, elasticity, and composition of the mantle transition zone, J. Geophys. Res.-Sol. Ea., 97, 6849, 10.1029/92JB00068

Jackson, 1996, Analysis of P-V-T data; constraints on the thermoelastic properties of high-pressure minerals, Phys. Earth planet. Int., 96, 85, 10.1016/0031-9201(96)03143-3

Jackson, 1978, Elastic properties of (MgxFe1-x)O solid-solutions, Phys. Chem. Miner., 3, 11, 10.1007/BF00357444

Jackson, 1990, Elasticity, shear-mode softening and high-pressure polymorphism of wustite (Fe1-xO), J. Geophys. Res.-Solid, 95, 21671, 10.1029/JB095iB13p21671

Jackson, 1999, Elasticity of MgSiO3 orthoenstatite, Am. Mineral., 84, 677, 10.2138/am-1999-0421

Jackson, 2003, Thermal expansion of natural orthoenstatite to 1473 K, Eur. J. Mineral., 15, 469, 10.1127/0935-1221/2003/0015-0469

Jacobsen, 2002, Structure and elasticity of single-crystal (Mg,Fe)O and a new method of generating shear waves for gigahertz ultrasonic interferometry, J. Geophys. Res.-Sol. Ea., 107, B022037, 10.1029/2001JB000490

Jeanloz, 1989, Shock-wave equation of state and finite strain theory, J. Geophys. Res.-Solid, 94, 5873, 10.1029/JB094iB05p05873

Jeanloz, 1983, Phase transitions and mantle discontinuities, Rev. Geophys., 21, 51, 10.1029/RG021i001p00051

Karato, 2001, Origin of lateral variation of seismic wave velocities and density in the deep mantle, J. Geophys. Res.-Sol. Ea., 106, 21771, 10.1029/2001JB000214

Karki, 1998, First-principles determination of elastic properties of CaSiO3 perovskite at lower mantle pressures, Geophys. Res. Lett., 25, 2741, 10.1029/98GL51952

Karki, 1997, Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures, Am. Mineral., 82, 635, 10.2138/am-1997-5-623

Karki, 2000, Ab initio lattice dynamics of MgSiO3 perovskite at high pressure, Phys. Rev. B, 62, 14750, 10.1103/PhysRevB.62.14750

Karki, 2000, High-pressure lattice dynamics and thermoelasticity of MgO, Phys. Rev. B, 61, 8793, 10.1103/PhysRevB.61.8793

Karki, 2001, High-pressure elastic properties of major materials of earth's mantle from first principles, Rev. Geophys., 39, 507, 10.1029/2000RG000088

Katsura, 2004, Thermal expansion of Mg2SiO4 ringwoodite at high pressures, J. Geophys. Res.-Sol. Ea., 109, B02209, 10.1029/2003JB002438

Kiefer, 2002, Elasticity of (Mg, Fe)SiO3-Perovskite at high pressures, Geophys. Res. Lett., 29, 1539, 10.1029/2002GL014683

Kieffer, 1980, Thermodynamics and lattice-vibrations of minerals 4. application to chain and sheet silicates and orthosilicates, Rev. Geophys., 18, 862, 10.1029/RG018i004p00862

Knittle, 1995, Mineral Physics and Crystallography: A Handbook of Physical Constants, 98, 10.1029/RF002p0098

Krupka, 1985, Low-temperature heat-capacities and derived thermodynamic properties of anthophyllite, diopside, enstatite, bronzite, and wollastonite, Am. Mineral., 70, 249

Kubo, 2000, Post-garnet transitions in the system Mg4Si4O1 2-Mg3Al2Si3O1 2 up to 28 GPa: phase relations of garnet, ilmenite and perovskite, Phys. Earth planet. Int., 121, 85, 10.1016/S0031-9201(00)00162-X

Kuskov, 1995, Constitution of the Moon: 3. Composition of middle mantle from seismic data, Phys. Earth. Planet. Inter., 90, 55, 10.1016/0031-9201(95)03014-N

Leibfried, 1961, Theory of anharmonic effects in crystals, Solid State Phys., 12, 275, 10.1016/S0081-1947(08)60656-6

Leitner, 1980, Elasticity of single-crystal pyrope and implications for garnet solid-solution series, Phys. Earth planet. Int., 22, 111, 10.1016/0031-9201(80)90052-7

Levien, 1981, High-pressure structural study of diopside, Am. Mineral., 66, 315

Li, 2001, P-V-Vp-Vs-T measurements on wadsleyite to 7 GPa and 873 K: implications for the 410-km seismic discontinuity, J. Geophys. Res.-Sol. Ea., 106, 30579, 10.1029/2001JB000317

Liu, 1999, Thermal equation of state of stishovite, Phys. Earth planet. Int., 112, 257, 10.1016/S0031-9201(99)00037-0

Luo, 2002, Direct shock wave loading of stishovite to 235 GPa: implications for perovskite stability relative to an oxide assemblage at lower mantle conditions, Geophys. Res. Lett., 29, 1691, 10.1029/2002GL015627

Magyari-Kope, 2002, Low-temperature crystal structure of CaSiO3 perovskite: An ab initio total energy study, Phys. Rev. B, 65, 193107, 10.1103/PhysRevB.65.193107

Mao, 1969, Effect of pressure and temperature on molar volumes of wustite and of 3 (Fe Mg)2SiO4 spinel solid solutions, J. geophys. Res., 74, 1061, 10.1029/JB074i004p01061

Marton, 2002, Constraints on lower mantle composition from molecular dynamics simulations of MgSiO3 perovskite, Phys. Earth Planet. In., 134, 239, 10.1016/S0031-9201(02)00189-9

Mattern, 2005, Lower mantle composition and temperature from mineral physics and thermodynamic modelling, Geophys. J. Int., 160, 973, 10.1111/j.1365-246X.2004.02549.x

Nye, 1985, Physical Properties of Crystals: Their Representation by Tensors and Matrices

Oganov, 2003, All-electron and pseudopotential study of MgO: equation of state, anharmonicity, and stability, Phys. Rev. B, 67, 224110, 10.1103/PhysRevB.67.224110

Oganov, 2001, Ab initio elasticity and thermal equation of state of MgSiO3 perovskite, Earth planet. Sci. Lett., 184, 555, 10.1016/S0012-821X(00)00363-0

Oganov, 2001, The elastic constants of MgSiO3 perovskite at pressures and temperatures of the earth's mantle, Nature, 411, 934, 10.1038/35082048

Oneill, 1989, Elasticity of a grossular-pyrope-almandine garnet, J. Geophys. Res.-Solid, 94, 17819, 10.1029/JB094iB12p17819

Ono, 2004, Phase transition of Ca-perovskite and stability of Al-bearing Mg-perovskite in the lower mantle, Am. Mineral., 89, 1480, 10.2138/am-2004-1016

Robie, 1995, Thermodynamic Properties of Minerals and Related Substances at 298.15 K and 1 Bar (105 Pascals) Pressure and at Higher Temperature, US Geological Survey Bulletin, 2131, 461

Robie, 1982, Heat-capacities and entropies of Mg2SiO4, Mn2SiO4, and Co2SiO4 between 5-k and 380-k, Am. Mineral., 67, 470

Sammis, 1970, Application of isotropic finite strain theory to ultrasonic and seismological data, J. geophys. Res., 75, 4478, 10.1029/JB075i023p04478

Shim, 2000, Constraints on the P-V-T equation of state of MsSiO3 perovskite, Am. Mineral., 85, 354, 10.2138/am-2000-2-314

Shim, 2000, The stability and P-V-T equation of state of CaSiO3 perovskite in the earth's lower mantle, J. Geophys. Res.-Sol. Ea., 105, 25955, 10.1029/2000JB900183

Shim, 2002, Equation of state of gold and its application to the phase boundaries near 660 km depth in earth's mantle, Earth planet. Sci. Lett., 203, 729, 10.1016/S0012-821X(02)00917-2

Shinmei, 1999, In situ X-ray diffraction study of enstatite up to 12 GPa and 1473 K and equations of state, Am. Mineral., 84, 1588, 10.2138/am-1999-1012

Sinogeikin, 2000, Single-crystal elasticity of pyrope and MgO to 20 GPa by brillouin scattering in the diamond cell, Phys. Earth planet. Int., 120, 43, 10.1016/S0031-9201(00)00143-6

Sinogeikin, 2002, Elasticity of majorite and a majorite-pyrope solid solution to high pressure: Implications for the transition zone, Geophys. Res. Lett., 29, 1017, 10.1029/2001GL013937

Sinogeikin, 2002, Elasticity of pyrope and majorite-pyrope solid solutions to high temperatures, Earth planet. Sci. Lett., 203, 549, 10.1016/S0012-821X(02)00851-8

Sinogeikin, 1997, Elasticity of natural majorite and ringwoodite from the catherwood meteorite, Geophys. Res. Lett., 24, 3265, 10.1029/97GL03217

Sinogeikin, 1998, Sound velocities and elastic properties of Fe-bearing wadsleyite and ringwoodite, J. Geophys. Res.-Sol. Ea., 103, 20819, 10.1029/98JB01819

Sinogeikin, 2001, Single-crystal elasticity of gamma-(Mg0.9 1Fe0.0 9)2SiO4 to high pressures and to high temperatures, Geophys. Res. Lett., 28, 4335, 10.1029/2001GL013843

Sinogeikin, 2004, Elasticity of single crystal and polycrystalline MgSiO3 perovskite by brillouin spectroscopy, Geophys. Res. Lett., 31, L06620, 10.1029/2004GL019559

Skinner, 1964, Aluminous enstatites, Carnegie I. Wash., 63, 163

Smyth, 1995, Mineral Physics and Crystallography: A Handbook of Physical Constants, 1, 10.1029/RF002p0001

Sobolev, 1994, Modeling of mineralogical composition, density and elastic-wave velocities in anhydrous magmatic rocks, Surv. Geophys., 15, 515, 10.1007/BF00690173

Speziale, 2001, Quasi-hydrostatic compression of magnesium oxide to 52 GPa: implications for the pressure-volume-temperature equation of state, J. Geophys. Res.-Sol. Ea., 106, 515, 10.1029/2000JB900318

Stacey, F.D. , 1992. Physics of the Earth, 3rd edn, Brookfield, Brisbane.

Stixrude, 1990, Fundamental thermodynamic relations and silicate melting with implications for the constitution of D″, J. geophys. Res., 95, 19311, 10.1029/JB095iB12p19311

Stixrude, 1993, Evolution of the earth and planets, 131, 10.1029/GM074p0131

Stixrude, 2005, Mineralogy and elasticity of the oceanic upper mantle: Origin of the low-velocity zone, J. geophys. Res., 110, B03204, 10.1029/2004JB002965

Stixrude, 1992, Thermoelasticity of silicate perovskite and magnesiowustite and stratification of the earth's mantle, Science, 257, 1099, 10.1126/science.257.5073.1099

Stixrude, 1996, Prediction of phase transition in CaSiO3 perovskite and implications for lower mantle structure, Am. Mineral., 81, 1293

Stolen, 1996, Heat capacity and thermodynamic properties of nearly stoichiometric wustite from 13 to 450 K, Am. Mineral., 81, 973, 10.2138/am-1996-7-819

Thieblot, 1998, High-temperature thermal expansion and decomposition of garnets, Eur. J. Mineral., 10, 7, 10.1127/ejm/10/1/0007

Thieblot, 1999, High-temperature heat capacity of grossular (Ca3Al2Si3O1 2), enstatite (MgSiO3), and titanite (CaTiSiO5), Am. Mineral., 84, 848, 10.2138/am-1999-5-618

Thompson, 1996, Polymorphs of alumina predicted by first principles: Putting pressure on the ruby scale, Science, 274, 1880, 10.1126/science.274.5294.1880

Thomsen, 1972, Fourth-order anharmonic theory-elasticity and stability, J. Phys. Chem. Solids, 33, 363, 10.1016/0022-3697(72)90018-2

Thurston, 1965, Effective elastic coefficients for wave propagation in crystals under stress, J. Acoust. Soc. Am., 37, 348, 10.1121/1.1909333

Tribaudino, 2001, A P2 1/c-C2/c high-pressure phase transition in Ca0 . 5Mg1 . 5Si2O6 clinopyroxene, Am. Mineral., 86, 807, 10.2138/am-2001-0704

Wallace, 1972, Thermodynamics of Crystals, 10.1119/1.1987046

Wang, 1996, Thermal equation of state of CaSiO (sub 3) perovskite, J. geophys. Res., 101, 661, 10.1029/95JB03254

Watanabe, 1982, High-Pressure Research in Geophysics, 441, 10.1007/978-94-009-7867-6_34

Watt, 1976, The elastic properties of composite materials, Rev. Geophys. Space Phys., 14, 541, 10.1029/RG014i004p00541

Webb, 1993, The pressure-dependence of the elastic-moduli of single-crystal ortho-pyroxene (Mg0 . 8Fe0 . 2)SiO3, Eur. J. Mineral., 5, 1111, 10.1127/ejm/5/6/1111

Weidner, 1985, A mineral physics test of a pyrolite mantle, Geophys. Res. Lett., 12, 417, 10.1029/GL012i007p00417

Weidner, 1982, The single-crystal elastic moduli of stishovite, J. geophys. Res., 87, 4740, 10.1029/JB087iB06p04740

Wentzcovitch, 2004, Thermoelastic properties of MgSiO3-perovskite: insights on the nature of the earth's lower mantle, Phys. Rev. Lett., 92, 018501, 10.1103/PhysRevLett.92.018501

Yoneda, 1990, Pressure derivatives of elastic-constants of single-crystal MgO and MgAl2O4, J. Phys. Earth, 38, 19, 10.4294/jpe1952.38.19

Zha, C.S. , Duffy, T.S. , Downs, R.T. , Mao, H.K. & Hemley, R.J. , 1996. Sound velocity and elasticity of single-crystal forsterite to 16 GPa, J. Geophys. Res.-Sol. Ea., 101(B8), 17535-17545.

Zha, 1997, Single-crystal elasticity of β-Mg2SiO4 to the pressure of the 410 km seismic discontinuity in the earth's mantle, Earth planet. Sci. Lett., 147, E9, 10.1016/S0012-821X(97)00010-1

Zha, 1998, Brillouin scattering and X-ray diffraction of san carlos olivine: direct pressure determination to 32 GPa, Earth planet. Sci. Lett., 159, 25, 10.1016/S0012-821X(98)00063-6

Zhang, 1999, Single-crystal hydrostatic compression of synthetic pyrope, almandine, spessartine, grossular and andradite garnets at high pressures, Phys. Chem. Miner., 27, 52, 10.1007/s002690050240

Zhao, 1998, Thermoelastic equation of state of monoclinic pyroxene: CaMgSi2O6, Rev. High. Press. Sci. Tech., 7, 25, 10.4131/jshpreview.7.25

Zhao, 1995, A high P-T single-crystal X-Ray-Diffraction study of thermoelasticity of MgSiO3 orthoenstatite, Phys. Chem. Miner., 22, 393, 10.1007/BF00213337