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Volumn 36, Issue 18, 2009, Pages

Partitioning of si and O between liquid iron and silicate melt: a two-phase ab-initio molecular dynamics study

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ELEMENTS; IGNEOUS ROCKS; LIQUID METALS; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; OCEAN CURRENTS; PHASE DIAGRAMS; SILICATES; SILICON ALLOYS; STEELMAKING;

EID: 72149107337     PISSN: 00948276     EISSN: None     Source Type: Journal    
DOI: 10.1029/2009GL039751     Document Type: Article
Times cited : (14)

References (41)
  • 1
    • 27744444567 scopus 로고    scopus 로고
    • Melting curve of MgO from first-principles simulations
    • doi:10.1103/PhysRevLett.94.235701.
    • Alfè, D. (2005), Melting curve of MgO from first-principles simulations, Phys. Rev. Lett., 94, 235701, doi:10.1103/PhysRevLett.94.235701.
    • (2005) Phys. Rev. Lett. , vol.94 , pp. 235701
    • Alfè, D.1
  • 2
    • 62549106212 scopus 로고    scopus 로고
    • Temperature of the inner-core boundary of the Earth: Melting of iron at high pressure from first-principles coexistence simulations
    • doi:10.1103/PhysRevB.79.060101.
    • Alfè, D. (2009), Temperature of the inner-core boundary of the Earth: Melting of iron at high pressure from first-principles coexistence simulations, Phys. Rev. B, 79, 060101, doi:10.1103/PhysRevB.79.060101.
    • (2009) Phys. Rev. B , vol.79 , pp. 060101
    • Alfè, D.1
  • 3
    • 0034636423 scopus 로고    scopus 로고
    • Constraints on the composition of the Earth's core from ab initio calculations
    • DOI 10.1038/35012056
    • Alfè, D., M. J. Gillan, and G. D. Price (2000), Constraints on the composition of the Earth's core from ab-initio calculations, Nature, 405, 172-175, doi:10.1038/35012056. (Pubitemid 30313532)
    • (2000) Nature , vol.405 , Issue.6783 , pp. 172-175
    • Alfe, D.1    Gillan, M.J.2    Price, G.D.3
  • 4
    • 0036190787 scopus 로고    scopus 로고
    • Composition and temperature of the earth's core constrained by combining ab initio calculations and seismic data
    • DOI 10.1016/S0012-821X(01)00568-4, PII S0012821X01005684
    • Alfè, D., M. J. Gillan, and G. D. Price (2002), Composition and temperature of the Earth's core constrained by combining ab initio calculations and seismic data, Earth Planet. Sci. Lett., 195, 91-98, doi:10.1016/ S0012-821X(01)00568-574 (Pubitemid 34186618)
    • (2002) Earth and Planetary Science Letters , vol.195 , Issue.1-2 , pp. 91-98
    • Alfe, D.1    Gillan, M.J.2    Price, G.D.3
  • 5
    • 0036325869 scopus 로고    scopus 로고
    • Another look at the core density deficit of Earth's outer core
    • doi:10.1016/S0031-9201(02)00017-1.
    • Anderson, O. L., and D. G. Isaak (2002), Another look at the core density deficit of Earth's outer core, Phys. Earth Planet. Inter., 131, 19-27, doi:10.1016/S0031-9201(02)00017-1.
    • (2002) Phys. Earth Planet. Inter. , vol.131 , pp. 19-27
    • Anderson, O.L.1    Isaak, D.G.2
  • 6
    • 33846306416 scopus 로고    scopus 로고
    • Effect of light elements on the sound velocities in solid iron: Implications for the composition of Earth's core
    • doi:10.1016/j.epsl.2006.11.025.
    • Badro, J., G. Fiquet, F. Guyot, E. Gregoryanz, F. Occelli, D. Antonangeli, and M. d'Astuto (2007), Effect of light elements on the sound velocities in solid iron: Implications for the composition of Earth's core, Earth Planet. Sci. Lett., 254, 233-238, doi:10.1016/j.epsl.2006.11.025.
    • (2007) Earth Planet. Sci. Lett. , vol.254 , pp. 233-238
    • Badro, J.1    Fiquet, G.2    Guyot, F.3    Gregoryanz, E.4    Occelli, F.5    Antonangeli, D.6    D'Astuto, M.7
  • 7
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • doi:10.1103/PhysRevB.50.17953.
    • Blöchl, P. E. (1994), Projector augmented-wave method, Phys. Rev. B, 50, 17,953-17,979, doi:10.1103/PhysRevB.50.17953.
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 8
    • 0002638957 scopus 로고
    • Structure of the F layer and reasons for convection in the core
    • English Transl.
    • Braginsky, S. I. (1963), Structure of the F layer and reasons for convection in the core, Dokl. Akad. Nauk SSSR, English Transl., 149, 1311-1314.
    • (1963) Dokl. Akad. Nauk SSSR , vol.149 , pp. 1311-1314
    • Braginsky, S.I.1
  • 11
    • 84939578426 scopus 로고
    • Four results on randomized incremental constructions
    • Clarkson, K. L., K. Mehlhorn, and R. Seidel (1993), Four results on randomized incremental constructions, Lect. Notes Comput. Sci., 577, 461-474.
    • (1993) Lect. Notes Comput. Sci. , vol.577 , pp. 461-474
    • Clarkson, K.L.1    Mehlhorn, K.2    Seidel, R.3
  • 12
    • 37349100880 scopus 로고    scopus 로고
    • Metal-silicate partitioning and constraints on core composition and oxygen fugacity during Earth accretion
    • DOI 10.1016/j.gca.2007.10.006, PII S0016703707005674
    • Corgne, A., S. Keshav, B. J. Wood, W. F. McDonough, and Y. Fei (2008), Metal-silicate partitioning and constraints on core composition and oxygen fugacity during earth accretion, Geochim. Cosmochim. Acta, 72, 574-589, doi:10.1016/j.gca.2007.10.006. (Pubitemid 350286861)
    • (2008) Geochimica et Cosmochimica Acta , vol.72 , Issue.2 , pp. 574-589
    • Corgne, A.1    Keshav, S.2    Wood, B.J.3    McDonough, W.F.4    Fei, Y.5
  • 14
    • 0025642261 scopus 로고
    • The nature of the Earth's core
    • doi:10.1146/annurev.ea.18.050190.002041.
    • Jeanloz, R. (1990), The nature of the Earth's core, Annu. Rev. Earth Planet. Sci., 18, 357-386, doi:10.1146/annurev.ea.18.050190.002041.
    • (1990) Annu. Rev. Earth Planet. Sci. , vol.18 , pp. 357-386
    • Jeanloz, R.1
  • 15
    • 0031413868 scopus 로고    scopus 로고
    • Metal-silicate partitioning and the incompatibility of S and Si during core formation
    • PII S0012821X97001258
    • Kilburn, M. R., and B. J. Wood (1997 Metal-silicate partitioning and the incompatibility of S and Si during core formation, Earth Planet. Sci. Lett., 152, 139-148, doi:10.1016/S0012-821X(97)00125-8. (Pubitemid 127435544)
    • (1997) Earth and Planetary Science Letters , vol.152 , Issue.1-4 , pp. 139-148
    • Kilburn, M.R.1    Wood, B.J.2
  • 16
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • Kresse, G., and J. Furthmüller (1996a), Efficiency of ab initio total-energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci., 6, 15-50, doi:10.1016/0927-0256(96)00008-0. (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 17
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G., and J. Furthmüller (1996b), Efficient iterative schemes for ab-initio total-energy calculations using a plane-wave basis set, Phys. Rev. B, 54, 11,169-11,186, doi:10.1103/PhysRevB.54.11169. (Pubitemid 126828421)
    • (1996) Physical Review B-Condensed Matter , vol.54 , Issue.16 , pp. 11169-11186
    • Kresse, G.1    Furthmuller, J.2
  • 18
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics for liquid metals
    • doi:10.1103/PhysRevB.47.558.
    • Kresse, G., and J. Hafner (1993), Ab initio molecular dynamics for liquid metals, Phys. Rev. B, 47, 558-561, doi:10.1103/PhysRevB.47.558.
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 19
    • 27744460065 scopus 로고
    • Ab initio molecular-dynamics simulation of the liquid-metal-amorphous- semiconductor transition in germanium
    • doi:10.1103/PhysRevB.49.14251.
    • Kresse, G., and J. Hafner(1994), Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium, Phys. Rev. B, 49, 14,251-14,269, doi:10.1103/PhysRevB.49.14251.
    • (1994) Phys. Rev. B , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 20
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • doi:10.1103/PhysRevB.59.1758.
    • Kresse, G., and D. Joubert (1999), From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B, 59, 1758-1775, doi:10.1103/PhysRevB.59.1758.
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 21
    • 0030159159 scopus 로고    scopus 로고
    • Geochemistry of mantle-core differentiation at high pressure
    • Li, J., and C. B. Agee (1996), Geochemistry of mantle-core formation at high pressure, Nature, 381, 686-689, doi:10.1038/381686a0. (Pubitemid 126515872)
    • (1996) Nature , vol.381 , Issue.6584 , pp. 686-689
    • Li, J.1    Agee, C.B.2
  • 22
    • 84942418849 scopus 로고    scopus 로고
    • Compositional model for the Earth's core
    • edited by R. W. Carlson, Elsevier-Pergamon, Oxford, U. K.
    • McDonough, W. F. (2003), Compositional model for the Earth's core, in The Mantle and Core, Treatise Geochem., vol.2, edited by R. W. Carlson, Elsevier-Pergamon, Oxford, U. K.
    • (2003) The Mantle and Core, Treatise Geochem.,. , vol.2
    • McDonough, W.F.1
  • 23
    • 0032503466 scopus 로고    scopus 로고
    • Oxide-metal equilibria at 2500 C and 25 GPa: Implications for core formation and the light element component in the Earth's core
    • 12, doi:10.1029/97JB02601.
    • O'Neill, H. S. C., D. Canil, and D. Rubie (1998), Oxide-metal equilibria at 2500 C and 25 GPa: Implications for core formation and the light element component in the Earth's core, J. Geophys. Res., 103, 12,239-12,260, doi:10.1029/97JB02601.
    • (1998) J. Geophys. Res., 103 , vol.12 , Issue.239 , pp. 260
    • O'Neill, H.S.C.1    Canil, D.2    Rubie, D.3
  • 24
    • 0003845382 scopus 로고    scopus 로고
    • 2nd ed., Cambridge Univ. Press, Cambridge, U. K.
    • O'Rourke, J. (1998), Computational Geometry in C, 2nd ed., 376 pp., Cambridge Univ. Press, Cambridge, U. K.
    • (1998) Computational Geometry in C , pp. 376
    • O'Rourke, J.1
  • 25
    • 33646454625 scopus 로고    scopus 로고
    • Ab initio study of the phase separation of argon in molten iron at high pressures
    • doi:10.1029/ 2005GL024276.
    • Ostanin, S., D. Alfè, D. Dobson, L. Vocadlo, J. P. Brodholt, and G. D. Price (2006), Ab initio study of the phase separation of argon in molten iron at high pressures, Geophys. Res. Lett., 33, L06303, doi:10.1029/ 2005GL024276.
    • (2006) Geophys. Res. Lett. , vol.33
    • Ostanin, S.1    Alfè, D.2    Dobson, D.3    Vocadlo, L.4    Brodholt, J.P.5    Price, G.D.6
  • 26
    • 43549108353 scopus 로고    scopus 로고
    • Chemical equilibrium between ferropericlase and molten iron to 134 GPa and implications for iron content at the bottom of the mantle
    • DOI 10.1029/2007GL032648
    • Ozawa, H., K. Hirose, M. Mitome, Y. Bando, N. Sata, and Y. Ohishi (2008), Chemical equilibrium between ferropericlase and molten iron to 1345 GPa and implications for iron content at the bottom of the mantle, Geophys. Res. Lett., 35, L05308, doi:10.1029/2007GL032648. (Pubitemid 351675998)
    • (2008) Geophysical Research Letters , vol.35 , Issue.5
    • Ozawa, H.1    Hirose, K.2    Mitome, M.3    Bando, Y.4    Sata, N.5    Ohishi, Y.6
  • 27
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • doi:10.1103/PhysRevLett.77.3865.
    • Perdew, J. P., K. Burke, and M. Ernzerhof (1996), Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865-3868, doi:10.1103/ PhysRevLett.77.3865.
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 28
    • 0141570631 scopus 로고    scopus 로고
    • Metal-silicate partitioning of siderophile elements and core formation in the early Earth
    • doi:10.1146/annurev.earth.31.100901.145451.
    • Righter, K. (2003), Metal-silicate partitioning of siderophile elements and core formation in the early Earth, Annu. Rev. Earth Planet. Sci., 31, 135-174, doi:10.1146/annurev.earth.31.100901.145451.
    • (2003) Annu. Rev. Earth Planet. Sci. , vol.31 , pp. 135-174
    • Righter, K.1
  • 29
    • 67449156139 scopus 로고    scopus 로고
    • Effect of pressure, temperature, and oxygen fugacity on the metal-silicate partitioning of Te, Se, and S: Implications for earth differentiation
    • doi:10.1016/j.gca.2009.04.028.
    • Rose-Weston, L., J. M. Brenan, Y. Fei, R. A. Secco, and D. J. Frost (2009), Effect of pressure, temperature, and oxygen fugacity on the metal-silicate partitioning of Te, Se, and S: Implications for earth differentiation, Geochim. Cosmochim. Acta, 73, 4598-4615, doi:10.1016/j.gca. 2009.04.028.
    • (2009) Geochim. Cosmochim. Acta , vol.73 , pp. 4598-4615
    • Rose-Weston, L.1    Brenan, J.M.2    Fei, Y.3    Secco, R.A.4    Frost, D.J.5
  • 30
    • 2442564531 scopus 로고    scopus 로고
    • Partitioning of oxygen during core formation on the Earth and Mars
    • DOI 10.1038/nature02473
    • Rubie, D. C., C. K. Gessmann, and D. J. Frost (2004), Partitioning of oxygen during core formation on the Earth and Mars, Nature, 429, 58-61, doi:10.1038/nature02473. (Pubitemid 38620548)
    • (2004) Nature , vol.429 , Issue.6987 , pp. 58-61
    • Rubie, D.C.1    Gessmann, C.K.2    Frost, D.J.3
  • 31
    • 84882929142 scopus 로고    scopus 로고
    • Formation of Earth's core
    • edited by D. Stevenson, pp.,Elsevier,Amsterdam
    • Rubie, D. C., F. Nimmo, and H. J. Melosh (2007), Formation of Earth's core, in Evolution of the Earth, Treatise Geophys., vol.9, edited by D. Stevenson, pp. 51-90, Elsevier, Amsterdam.
    • (2007) Evolution of the Earth, Treatise Geophys. , vol.9 , pp. 51-90
    • Rubie, D.C.1    Nimmo, F.2    Melosh, H.J.3
  • 32
    • 33845607564 scopus 로고    scopus 로고
    • Interaction between iron and post-perovskite at core-mantle boundary and core signature in plume source region
    • DOI 10.1029/2006GL026868
    • Sakai, T., T. Kondo, E. Ohtani, H. Terasaki, N. Endo, T. Kuba, T. Suzuki, and T. Kikegawa (2006), Interaction between iron and post-perovskite at core-mantle boundary and core signature in plume source region, Geophys. Res. Lett., 33, L15317, doi:10.1029/2006GL026868. (Pubitemid 44945787)
    • (2006) Geophysical Research Letters , vol.33 , Issue.15
    • Sakai, T.1    Kondo, T.2    Ohtani, E.3    Terasaki, H.4    Endo, N.5    Kuba, T.6    Suzuki, T.7    Kikegawa, T.8
  • 34
    • 38349106710 scopus 로고    scopus 로고
    • A planetary perspective on the deep Earth
    • doi:10.1038/nature06582.
    • Stevenson, D. J. (2008), A planetary perspective on the deep Earth, Nature, 451, 261-265, doi:10.1038/nature06582.
    • (2008) Nature , vol.451 , pp. 261-265
    • Stevenson, D.J.1
  • 35
    • 60649111662 scopus 로고    scopus 로고
    • Thermodynamics of silicate liquids in the deep Earth
    • doi:10.1016/j.epsl.2008.12.006.
    • Stixrude, L., N. de Koker, N. Sun, M. Mookherjee, and B. B. Karki (2009), Thermodynamics of silicate liquids in the deep Earth, Earth Planet. Sci. Lett., 278, 226-232, doi:10.1016/j.epsl.2008.12.006.
    • (2009) Earth Planet. Sci. Lett. , vol.278 , pp. 226-232
    • Stixrude, L.1    De Koker, N.2    Sun, N.3    Mookherjee, M.4    Karki, B.B.5
  • 36
    • 20044369407 scopus 로고    scopus 로고
    • Solubilities of O and Si in liquid iron in equilibrium with (Mg,Fe)SiO3 perovskite and the light elements in the core
    • doi:10.1029/ 2005GL022773.
    • Takafuji, N., K. Hirose, M. Mitome, and Y. Bando (2005), Solubilities of O and Si in liquid iron in equilibrium with (Mg,Fe)SiO3 perovskite and the light elements in the core, Geophys. Res. Lett., 32, L06313, doi:10.1029/ 2005GL022773.
    • (2005) Geophys. Res. Lett. , vol.32
    • Takafuji, N.1    Hirose, K.2    Mitome, M.3    Bando, Y.4
  • 37
    • 0035804240 scopus 로고    scopus 로고
    • The Earth's "missing" niobium may be in the core
    • doi:10.1038/35051064.
    • Wade, J., and B. J. Wood (2001), The Earth's "missing" niobium may be in the core, Nature, 409, 75-78, doi:10.1038/35051064.
    • (2001) Nature , vol.409 , pp. 75-78
    • Wade, J.1    Wood, B.J.2
  • 38
    • 22144451437 scopus 로고    scopus 로고
    • Core formation and the oxidation state of the Earth
    • DOI 10.1016/j.epsl.2005.05.017, PII S0012821X05003286
    • Wade, J., and B. J. Wood (2005), Core formation and the oxidation state of the Earth, Earth Planet. Sci. Lett., 236, 78-95, doi:10.1016/ j.epsl.2005.05.017. (Pubitemid 40984421)
    • (2005) Earth and Planetary Science Letters , vol.236 , Issue.1-2 , pp. 78-95
    • Wade, J.1    Wood, B.J.2
  • 39
    • 0002666598 scopus 로고    scopus 로고
    • Siderophile elements in the Earth and Moon: Metal-silicate partitioning and implications for core formation
    • edited by R. M. Canup and K. Righter, , Univ. of Ariz. Press, Tucson.
    • Walter, M. J., H. E. Newsom, W. Ertel, and A. Holzheid (2000), Siderophile elements in the Earth and Moon: Metal-silicate partitioning and implications for core formation, in Origin of the Earth and Moon, edited by R. M. Canup and K. Righter, pp. 265-289, Univ. of Ariz. Press, Tucson.
    • (2000) Origin of the Earth and Moon , pp. 265-289
    • Walter, M.J.1    Newsom, H.E.2    Ertel, W.3    Holzheid, A.4
  • 40
    • 54049149853 scopus 로고    scopus 로고
    • Accretion and core formation: Constraints from metalsilicate partitioning
    • doi:10.1098/rsta.2008.0115.
    • Wood, B. J. (2008), Accretion and core formation: Constraints from metalsilicate partitioning, Philos. Trans. R. Soc., Ser. A, 366, 4339-4355, doi:10.1098/rsta.2008.0115.
    • (2008) Philos. Trans. R. Soc., Ser. A , vol.366 , pp. 4339-4355
    • Wood, B.J.1
  • 41
    • 39749104662 scopus 로고    scopus 로고
    • Core formation and the oxidation state of the Earth: Additional constraints from Nb, v and Cr partitioning
    • doi:10.1016/ j.gca.2007.11.036.
    • Wood, B. J., J. Wade, and M. R. Kilburn (2008), Core formation and the oxidation state of the Earth: Additional constraints from Nb, V and Cr partitioning, Geochim. Cosmochim. Acta, 72, 1415-1426, doi:10.1016/ j.gca.2007.11.036.
    • (2008) Geochim. Cosmochim. Acta , vol.72 , pp. 1415-1426
    • Wood, B.J.1    Wade, J.2    Kilburn, M.R.3


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