메뉴 건너뛰기




Volumn 75, Issue 16, 2011, Pages 4591-4600

Diffusion and viscosity of Mg2SiO4 liquid at high pressure from first-principles simulations

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSION; DIFFUSION; DIFFUSIVITY; HIGH PRESSURE; MAGMA CHEMISTRY; MAGNESIUM; SILICATE; TEMPERATURE; TRANSPORT PROCESS; VISCOSITY;

EID: 79960327228     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2011.05.030     Document Type: Article
Times cited : (46)

References (46)
  • 1
    • 54449083040 scopus 로고    scopus 로고
    • Mg2SiO4 liquid under high pressure from molecular dynamics
    • Adjaoud O., Steinle-Neumann G., Jahn S. Mg2SiO4 liquid under high pressure from molecular dynamics. Chem. Geol. 2008, 256:185-192.
    • (2008) Chem. Geol. , vol.256 , pp. 185-192
    • Adjaoud, O.1    Steinle-Neumann, G.2    Jahn, S.3
  • 3
    • 0000111587 scopus 로고
    • Diffusion, viscosity and structural slowing down in soft sphere alloys near the kinetic glass transition
    • Barrat J.-L., Roux J.-N., Hansen J.-P. Diffusion, viscosity and structural slowing down in soft sphere alloys near the kinetic glass transition. Chem. Phys. 1990, 149:197-208.
    • (1990) Chem. Phys. , vol.149 , pp. 197-208
    • Barrat, J.-L.1    Roux, J.-N.2    Hansen, J.-P.3
  • 4
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • Blochl P.E. Projector augmented-wave method. Phys. Rev. B 1994, 50:17953-17979.
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blochl, P.E.1
  • 5
    • 0001116721 scopus 로고
    • The binary system MgO-SiO2
    • Bowen N.L., Andersen O. The binary system MgO-SiO2. Am. J. Sci. 1914, 37:487-500.
    • (1914) Am. J. Sci. , vol.37 , pp. 487-500
    • Bowen, N.L.1    Andersen, O.2
  • 6
    • 33744691386 scopus 로고
    • Ground state of the electron gas by a stochastic method
    • Ceperley D.M., Alder B.J. Ground state of the electron gas by a stochastic method. Phys. Rev. Lett. 1980, 45:566-569.
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566-569
    • Ceperley, D.M.1    Alder, B.J.2
  • 7
    • 73649133286 scopus 로고    scopus 로고
    • Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?
    • Chen T., Smit B., Bell A.T. Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?. J. Chem. Phys. 2009, 131:246101-246102.
    • (2009) J. Chem. Phys. , vol.131 , pp. 246101-246102
    • Chen, T.1    Smit, B.2    Bell, A.T.3
  • 8
    • 36449008463 scopus 로고
    • Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane
    • Daivis P.J., Evans D.J. Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane. J. Chem. Phys. 1994, 100:541-547.
    • (1994) J. Chem. Phys. , vol.100 , pp. 541-547
    • Daivis, P.J.1    Evans, D.J.2
  • 9
    • 39749135419 scopus 로고    scopus 로고
    • Thermodynamics, structure, dynamics, and freezing of Mg2SiO4 liquid at high pressure
    • de Koker N.P., Stixrude L., Karki B.B. Thermodynamics, structure, dynamics, and freezing of Mg2SiO4 liquid at high pressure. Geochim. Cosmochim. Acta 2008, 72:1427-1441.
    • (2008) Geochim. Cosmochim. Acta , vol.72 , pp. 1427-1441
    • de Koker, N.P.1    Stixrude, L.2    Karki, B.B.3
  • 10
    • 0019897436 scopus 로고
    • Oxygen diffusion in three silicate melts along the join diopside-anorthite
    • Dunn T. Oxygen diffusion in three silicate melts along the join diopside-anorthite. Geochim. Cosmochim. Acta 1982, 46:2293-2299.
    • (1982) Geochim. Cosmochim. Acta , vol.46 , pp. 2293-2299
    • Dunn, T.1
  • 11
    • 54449092563 scopus 로고    scopus 로고
    • Environments of Mg and Al in MgO-Al2O3-SiO2 glasses: A study coupling neutron and X-ray diffraction and Reverse Monte Carlo modeling
    • Guignard M., Cormier L. Environments of Mg and Al in MgO-Al2O3-SiO2 glasses: A study coupling neutron and X-ray diffraction and Reverse Monte Carlo modeling. Chem. Geol. 2008, 256:111-118.
    • (2008) Chem. Geol. , vol.256 , pp. 111-118
    • Guignard, M.1    Cormier, L.2
  • 12
    • 0033721544 scopus 로고    scopus 로고
    • Seismic evidence for ultralow-velocity zones beneath Africa and Eastern Atlantic
    • Helmberger D.V., Ni S.D., Wen L.X., Ritsema J. Seismic evidence for ultralow-velocity zones beneath Africa and Eastern Atlantic. J. Geophys. Res. 2000, 105:23865-23878.
    • (2000) J. Geophys. Res. , vol.105 , pp. 23865-23878
    • Helmberger, D.V.1    Ni, S.D.2    Wen, L.X.3    Ritsema, J.4
  • 13
    • 0001253202 scopus 로고    scopus 로고
    • Static and dynamics properties of a viscous melt
    • Horbach J., Kob W. Static and dynamics properties of a viscous melt. Phys. Rev. B 1999, 60:3169-3181.
    • (1999) Phys. Rev. B , vol.60 , pp. 3169-3181
    • Horbach, J.1    Kob, W.2
  • 14
    • 78149417406 scopus 로고    scopus 로고
    • First principles molecular dynamics simulations of silicate melts: Structural and dynamical properties. In Theoretical and computational methods in mineral physics and geophysics, Edited by: R. Wentzcovitch and L. Stixrude. Rev. Mineral Geochem. 71, 355-389.
    • Karki B. B. (2010) First principles molecular dynamics simulations of silicate melts: Structural and dynamical properties. In Theoretical and computational methods in mineral physics and geophysics, Edited by: R. Wentzcovitch and L. Stixrude. Rev. Mineral Geochem. 71, 355-389.
    • (2010)
    • Karki, B.1
  • 15
    • 34848838311 scopus 로고    scopus 로고
    • First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure
    • Karki B.B., Bhattarai D., Stixrude L. First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure. Phys. Rev. B. 2007, 76:104205.
    • (2007) Phys. Rev. B. , vol.76 , pp. 104205
    • Karki, B.B.1    Bhattarai, D.2    Stixrude, L.3
  • 16
    • 77952219459 scopus 로고    scopus 로고
    • Viscosity of MgSiO3 liquid at Earth's mantle conditions: implications for and early magma ocean
    • Karki B.B., Stixrude L.P. Viscosity of MgSiO3 liquid at Earth's mantle conditions: implications for and early magma ocean. Science 2010, 328:740-742.
    • (2010) Science , vol.328 , pp. 740-742
    • Karki, B.B.1    Stixrude, L.P.2
  • 17
    • 77953117250 scopus 로고    scopus 로고
    • First-principles study of enhancement of transport properties of silica melt by water
    • Karki B.B., Stixrude L. First-principles study of enhancement of transport properties of silica melt by water. Phys. Rev. Lett. 2010, 104:215901.
    • (2010) Phys. Rev. Lett. , vol.104 , pp. 215901
    • Karki, B.B.1    Stixrude, L.2
  • 18
    • 77953109321 scopus 로고    scopus 로고
    • Visualization-based analysis of structural and dynamical properties of simulated hydrous silicate melt
    • Karki B.B., Bhattarai D., Mookherjee M., Stixrude L.P. Visualization-based analysis of structural and dynamical properties of simulated hydrous silicate melt. Phys. Chem. Mineral. 2010, 37:103-117.
    • (2010) Phys. Chem. Mineral. , vol.37 , pp. 103-117
    • Karki, B.B.1    Bhattarai, D.2    Mookherjee, M.3    Stixrude, L.P.4
  • 19
    • 79958245144 scopus 로고    scopus 로고
    • First-principles study of diffusion and viscosity of anorthite (CaAl2Si2O8) liquid at high pressure
    • Karki B.B., Bohara B., Stixrude L.P. First-principles study of diffusion and viscosity of anorthite (CaAl2Si2O8) liquid at high pressure. Am. Mineral 2011, 96:744-751.
    • (2011) Am. Mineral , vol.96 , pp. 744-751
    • Karki, B.B.1    Bohara, B.2    Stixrude, L.P.3
  • 21
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse G., Furthmuller J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 1996, 6:15-50.
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 22
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse G., Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 1999, 59:1758.
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 23
    • 0001839791 scopus 로고
    • Molecular dynamics simulations of pressure and temperature effects of MgSiO3 and Mg2SiO4 melts and glasses
    • Kubicki J.D., Lasaga A.C. Molecular dynamics simulations of pressure and temperature effects of MgSiO3 and Mg2SiO4 melts and glasses. Phys. Chem. Miner. 1991, 17:661-673.
    • (1991) Phys. Chem. Miner. , vol.17 , pp. 661-673
    • Kubicki, J.D.1    Lasaga, A.C.2
  • 24
    • 33846913961 scopus 로고    scopus 로고
    • Molecular dynamics investigation of viscosity, chemical diffusivities and partial molar volumes of liquids along the MgO-SiO2 join as function of pressure
    • Lacks D.J., Rear D.B., Van Orman J.A. Molecular dynamics investigation of viscosity, chemical diffusivities and partial molar volumes of liquids along the MgO-SiO2 join as function of pressure. Geochim. Cosmochim. Acta 2007, 71:1312-1323.
    • (2007) Geochim. Cosmochim. Acta , vol.71 , pp. 1312-1323
    • Lacks, D.J.1    Rear, D.B.2    Van Orman, J.A.3
  • 25
    • 50849148641 scopus 로고
    • Densities of Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-TiO2-SiO2 liquids - New measurements and derived partial molar properties
    • Lange R.A., Carmichael I.S.E. Densities of Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-TiO2-SiO2 liquids - New measurements and derived partial molar properties. Geochim. Cosmochim. Acta 1987, 51:2931-2946.
    • (1987) Geochim. Cosmochim. Acta , vol.51 , pp. 2931-2946
    • Lange, R.A.1    Carmichael, I.S.E.2
  • 26
    • 68549115341 scopus 로고    scopus 로고
    • Structure, thermodynamic, and transport properties of molten Mg2SiO4: molecular dynamics simulations and model EOS
    • Martin G.B., Spera F.J., Ghiorso M.S., Nevins D. Structure, thermodynamic, and transport properties of molten Mg2SiO4: molecular dynamics simulations and model EOS. Am. Mineral. 2009, 94:693-703.
    • (2009) Am. Mineral. , vol.94 , pp. 693-703
    • Martin, G.B.1    Spera, F.J.2    Ghiorso, M.S.3    Nevins, D.4
  • 27
    • 0037086176 scopus 로고    scopus 로고
    • Pressure and temperature dependence of viscosity and diffusion coefficients of glassy binary mixture
    • Mukherjee A., Bhattacharya S., Bagchi B. Pressure and temperature dependence of viscosity and diffusion coefficients of glassy binary mixture. J. Chem. Phys. 2001, 116:4577-4586.
    • (2001) J. Chem. Phys. , vol.116 , pp. 4577-4586
    • Mukherjee, A.1    Bhattacharya, S.2    Bagchi, B.3
  • 28
    • 0036149867 scopus 로고    scopus 로고
    • Emperical models relating viscosity and tracer diffusion in magmatic silicate melts
    • Mungall J.E. Emperical models relating viscosity and tracer diffusion in magmatic silicate melts. Geochim. Cosmochim. Acta 2002, 66:125-143.
    • (2002) Geochim. Cosmochim. Acta , vol.66 , pp. 125-143
    • Mungall, J.E.1
  • 29
    • 68949103954 scopus 로고    scopus 로고
    • Shear viscosity and diffusion in liquid MgSiO3: transport properties and implications for terrestrial planet magma oceans
    • Nevins D., Spera F.J., Ghiorso M.S. Shear viscosity and diffusion in liquid MgSiO3: transport properties and implications for terrestrial planet magma oceans. Am. Mineral. 2009, 94:975-980.
    • (2009) Am. Mineral. , vol.94 , pp. 975-980
    • Nevins, D.1    Spera, F.J.2    Ghiorso, M.S.3
  • 31
    • 0035094118 scopus 로고    scopus 로고
    • The self-diffusion of silicon and oxygen in diopside (CaMgSi2O6) liquid up to 15GPa
    • Reid J.E., Poe B.T., Rubie D.C., Zotov N., Wiedenbeck M. The self-diffusion of silicon and oxygen in diopside (CaMgSi2O6) liquid up to 15GPa. Chem. Geol. 2001, 174:77-86.
    • (2001) Chem. Geol. , vol.174 , pp. 77-86
    • Reid, J.E.1    Poe, B.T.2    Rubie, D.C.3    Zotov, N.4    Wiedenbeck, M.5
  • 32
    • 0028184513 scopus 로고
    • Seismic evidence for silicate melt atop the 410-km mantle discontinuity
    • Revenaugh J., Sipkin S.A. Seismic evidence for silicate melt atop the 410-km mantle discontinuity. Nature 1994, 369:474-476.
    • (1994) Nature , vol.369 , pp. 474-476
    • Revenaugh, J.1    Sipkin, S.A.2
  • 34
    • 34247401047 scopus 로고    scopus 로고
    • Structural investigation of Mg local environments in silicate glasses by ultra-high field 25Mg 3QMAS NMR spectroscopy
    • Shimoda K., Tobu Y., Hatakeyama M., Nemoto T., Saito K. Structural investigation of Mg local environments in silicate glasses by ultra-high field 25Mg 3QMAS NMR spectroscopy. Am. Mineral. 2007, 92:695-698.
    • (2007) Am. Mineral. , vol.92 , pp. 695-698
    • Shimoda, K.1    Tobu, Y.2    Hatakeyama, M.3    Nemoto, T.4    Saito, K.5
  • 36
    • 0027528194 scopus 로고
    • Kinetics of crystal growth in a terrestrial magma ocean
    • Solomatov V.S., Stevenson D.J. Kinetics of crystal growth in a terrestrial magma ocean. J. Geophys. Res. 1993, 98(E3):5407-5418.
    • (1993) J. Geophys. Res. , vol.98 , pp. 5407-5418
    • Solomatov, V.S.1    Stevenson, D.J.2
  • 37
    • 70349748548 scopus 로고    scopus 로고
    • Structure, thermodynamic and transport properties of CaAl2Si2O8 liquid. Part I: Molecular dynamics simulations
    • Spera F.J., Nevins D., Ghiorso M., Cutler I. Structure, thermodynamic and transport properties of CaAl2Si2O8 liquid. Part I: Molecular dynamics simulations. Am. Mineral. 2009, 73:6918-6936.
    • (2009) Am. Mineral. , vol.73 , pp. 6918-6936
    • Spera, F.J.1    Nevins, D.2    Ghiorso, M.3    Cutler, I.4
  • 38
    • 0012276693 scopus 로고
    • Formation and early evolution of the Earth
    • Gordon and Breach, New York, W.R. Peltier (Ed.)
    • Stevenson D.J. Formation and early evolution of the Earth. Mantle Convection: Plate Tectonics and Global Dynamics 1989, 817-873. Gordon and Breach, New York. W.R. Peltier (Ed.).
    • (1989) Mantle Convection: Plate Tectonics and Global Dynamics , pp. 817-873
    • Stevenson, D.J.1
  • 40
    • 26844580221 scopus 로고    scopus 로고
    • Structure and freezing of MgSiO3 liquid in Earth's lower mantle
    • Stixrude L., Karki B.B. Structure and freezing of MgSiO3 liquid in Earth's lower mantle. Science 2005, 310:297-299.
    • (2005) Science , vol.310 , pp. 297-299
    • Stixrude, L.1    Karki, B.B.2
  • 41
    • 11144322270 scopus 로고    scopus 로고
    • High-pressure viscometry of polymerized silicate melts and limitations of the Eyring equation
    • Tinker D., Lesher C.E., Baxter G.M., Uchida T., Wang Y. High-pressure viscometry of polymerized silicate melts and limitations of the Eyring equation. Am. Mineral. 2004, 89:1701-1708.
    • (2004) Am. Mineral. , vol.89 , pp. 1701-1708
    • Tinker, D.1    Lesher, C.E.2    Baxter, G.M.3    Uchida, T.4    Wang, Y.5
  • 42
    • 0025660433 scopus 로고
    • The physics of crystal settling and suspension in a turbulent magma ocean
    • Oxford University Press, New York, N.E. Newsom, J.H. Jones (Eds.)
    • Tonks W.B., Melosh H.J. The physics of crystal settling and suspension in a turbulent magma ocean. Origin of the Earth 1990, 151-174. Oxford University Press, New York. N.E. Newsom, J.H. Jones (Eds.).
    • (1990) Origin of the Earth , pp. 151-174
    • Tonks, W.B.1    Melosh, H.J.2
  • 43
    • 67349256723 scopus 로고    scopus 로고
    • Experimental and theoretical study of the structural environment of magnesium in minerals and silicate glasses using X-ray absorption near-edge structure
    • Trcera N., Cabaret D., Rossano S., Farges F., Flank A.-M., Lagarde P. Experimental and theoretical study of the structural environment of magnesium in minerals and silicate glasses using X-ray absorption near-edge structure. Phys. Chem. Mineral. 2009, 36:241-257.
    • (2009) Phys. Chem. Mineral. , vol.36 , pp. 241-257
    • Trcera, N.1    Cabaret, D.2    Rossano, S.3    Farges, F.4    Flank, A.-M.5    Lagarde, P.6
  • 44
    • 0019910332 scopus 로고
    • Viscosity of liquid silica, silicates and alumino-silicates
    • Urbain G., Bottinga Y., Richet P. Viscosity of liquid silica, silicates and alumino-silicates. Geochim. Cosmochim. Acta 1982, 46:1061-1072.
    • (1982) Geochim. Cosmochim. Acta , vol.46 , pp. 1061-1072
    • Urbain, G.1    Bottinga, Y.2    Richet, P.3
  • 45
    • 34548573599 scopus 로고    scopus 로고
    • First-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle
    • Wan J.T.K., Duffy T.S., Scandolo S., Car R. First-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle. J. Geophys. Res. 2007, 112:B03208.
    • (2007) J. Geophys. Res. , vol.112
    • Wan, J.T.K.1    Duffy, T.S.2    Scandolo, S.3    Car, R.4
  • 46
    • 0029659883 scopus 로고    scopus 로고
    • Seismic evidence for partial melt at the base of Earth's mantle
    • Williams Q., Garnero E.J. Seismic evidence for partial melt at the base of Earth's mantle. Science 1996, 273:1528-1530.
    • (1996) Science , vol.273 , pp. 1528-1530
    • Williams, Q.1    Garnero, E.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.