메뉴 건너뛰기




Volumn 275, Issue 1-2, 2010, Pages 50-57

Molecular dynamics investigation of MgO-CaO-SiO2 liquids: Influence of pressure and composition on density and transport properties

Author keywords

Differentiation; Diffusion; Magma; Silicate melt; Transport properties; Viscosity

Indexed keywords

CHEMICAL COMPOSITION; COMPUTER SIMULATION; DIFFUSIVITY; EXPERIMENTAL STUDY; HIGH PRESSURE; LIME; MAGMATIC DIFFERENTIATION; MAGNESIUM; MOLECULAR ANALYSIS; NUMERICAL MODEL; OXIDE; PRESSURE EFFECT; SILICA; SILICATE MELT; VISCOSITY;

EID: 77953812152     PISSN: 00092541     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemgeo.2010.04.012     Document Type: Article
Times cited : (37)

References (34)
  • 2
    • 27744444567 scopus 로고    scopus 로고
    • Melting curve of MgO from first-principles simulations
    • Art. No. 235701
    • Alfè D. Melting curve of MgO from first-principles simulations. Phys. Rev. Lett. 2005, 94. Art. No. 235701.
    • (2005) Phys. Rev. Lett. , vol.94
    • Alfè, D.1
  • 7
    • 0037473249 scopus 로고    scopus 로고
    • Non-Arrhenian multicomponent melt viscosity: a model
    • Giordano D., Dingwell D.B. Non-Arrhenian multicomponent melt viscosity: a model. Earth Planet. Sci. Lett. 2003, 208:337-349.
    • (2003) Earth Planet. Sci. Lett. , vol.208 , pp. 337-349
    • Giordano, D.1    Dingwell, D.B.2
  • 8
    • 33646553374 scopus 로고    scopus 로고
    • First-principles calculations of the structural, dynamical, and eletronic properties of liquid MgO
    • Art No. 174208
    • Karki B.B., Bhattarai D., Stixrude L. First-principles calculations of the structural, dynamical, and eletronic properties of liquid MgO. Phys. Rev. B 2006, 73. Art No. 174208.
    • (2006) Phys. Rev. B , vol.73
    • Karki, B.B.1    Bhattarai, D.2    Stixrude, L.3
  • 9
    • 34848838311 scopus 로고    scopus 로고
    • First-principles simulations of liquid silica: structural and dynamical behavior at high pressure
    • Art No. 104205
    • 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. Art No. 104205.
    • (2007) Phys. Rev. B , vol.76
    • Karki, B.B.1    Bhattarai, D.2    Stixrude, L.3
  • 12
    • 3843145375 scopus 로고    scopus 로고
    • Partial melting in a thermo-chemical boundary layer at the base of the mantle
    • Lay T., Garnero E.J., Williams Q. Partial melting in a thermo-chemical boundary layer at the base of the mantle. Phys. Earth Planet. Inter. 2004, 146:441-467.
    • (2004) Phys. Earth Planet. Inter. , vol.146 , pp. 441-467
    • Lay, T.1    Garnero, E.J.2    Williams, Q.3
  • 13
    • 0029730404 scopus 로고    scopus 로고
    • Self diffusion of network formers (silicon and oxygen) in naturally occurring basaltic liquid
    • Lesher C.E., Hervig R.L., Tinker D. Self diffusion of network formers (silicon and oxygen) in naturally occurring basaltic liquid. Geochim. Cosmochim. Acta 1996, 60:405-413.
    • (1996) Geochim. Cosmochim. Acta , vol.60 , pp. 405-413
    • Lesher, C.E.1    Hervig, R.L.2    Tinker, D.3
  • 16
    • 0036149867 scopus 로고    scopus 로고
    • Empirical models relating viscosity and tracer diffusion in magmatic silicate melts
    • Mungall J.E. Empirical 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
  • 19
    • 0002467378 scopus 로고
    • Fast parallel algorithms for short-range molecular dynamics
    • Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 1995, 117:1-19.
    • (1995) J. Comput. Phys. , vol.117 , pp. 1-19
    • Plimpton, S.1
  • 20
    • 0004728592 scopus 로고    scopus 로고
    • Particle-mesh Ewald and rRESPA for parallel molecular dynamics simulations
    • SIAM, Philadelphia, CD-ROM, ISBN 0-89871-395-1, M. Heath, V. Torczon, G. Astfalk, P.E. Bjorstad, A.H. Karp, C.H. Koebel, V. Kumar, R.F. Lucas, L.T. Watson, D.E. Womble (Eds.)
    • Plimpton S., Pollock R., Stevens M. Particle-mesh Ewald and rRESPA for parallel molecular dynamics simulations. Proceedings fo the Eighth SIAM Conference on Parallel Processing for Scientific Computing 1997, SIAM, Philadelphia, CD-ROM, ISBN 0-89871-395-1. M. Heath, V. Torczon, G. Astfalk, P.E. Bjorstad, A.H. Karp, C.H. Koebel, V. Kumar, R.F. Lucas, L.T. Watson, D.E. Womble (Eds.).
    • (1997) Proceedings fo the Eighth SIAM Conference on Parallel Processing for Scientific Computing
    • Plimpton, S.1    Pollock, R.2    Stevens, M.3
  • 21
    • 0030619666 scopus 로고    scopus 로고
    • Silicon and oxygen self diffusivities in silicate liquids measured to 15 gigapascals and 2800 kelvin
    • Poe B.T., McMillan P.F., Rubie D.C., Chakraborty S., Yarger J., Diefenbacher J. Silicon and oxygen self diffusivities in silicate liquids measured to 15 gigapascals and 2800 kelvin. Science 1997, 276:1245-1248.
    • (1997) Science , vol.276 , pp. 1245-1248
    • Poe, B.T.1    McMillan, P.F.2    Rubie, D.C.3    Chakraborty, S.4    Yarger, J.5    Diefenbacher, J.6
  • 24
    • 28044446094 scopus 로고
    • Pressure dependence of the viscosity of silicate melts
    • B.O. Mysen (Ed.) Magmatic Processes: Physicochemical Principes, Special Publication
    • Scarfe C.M., Mysen B.O., Virgo D. Pressure dependence of the viscosity of silicate melts. The Geochemical Society 1987, vol. 1:504-511. B.O. Mysen (Ed.).
    • (1987) The Geochemical Society , vol.1 , pp. 504-511
    • Scarfe, C.M.1    Mysen, B.O.2    Virgo, D.3
  • 25
    • 0021350351 scopus 로고
    • Diffusivity of oxygen in jadeite and diopside melts at high pressures
    • Shimizu N., Kushiro I. Diffusivity of oxygen in jadeite and diopside melts at high pressures. Geochim. Cosmochim. Acta 1984, 48:1295-1303.
    • (1984) Geochim. Cosmochim. Acta , vol.48 , pp. 1295-1303
    • Shimizu, N.1    Kushiro, I.2
  • 26
    • 0035090377 scopus 로고    scopus 로고
    • Quasi-hydrostatic compression of magnesium oxide to 52GPa: implications for the pressure-volume-temperature equation of state
    • Speziale S., Zha C.-S., Duffy T.S., Hemley R.J., Mao H.-K. Quasi-hydrostatic compression of magnesium oxide to 52GPa: implications for the pressure-volume-temperature equation of state. J. Geophys. Res. 2001, 106:515-528.
    • (2001) J. Geophys. Res. , vol.106 , pp. 515-528
    • Speziale, S.1    Zha, C.-S.2    Duffy, T.S.3    Hemley, R.J.4    Mao, H.-K.5
  • 27
    • 33645461830 scopus 로고    scopus 로고
    • High-pressure elasticity of calcium oxide: a comparison between Brillouin spectroscopy and radial X-ray diffraction
    • Art. No. B02203
    • Speziale S., Shieh S.R., Duffy T.S. High-pressure elasticity of calcium oxide: a comparison between Brillouin spectroscopy and radial X-ray diffraction. J. Geophys. Res. 2006, 111. Art. No. B02203.
    • (2006) J. Geophys. Res. , vol.111
    • Speziale, S.1    Shieh, S.R.2    Duffy, T.S.3
  • 28
    • 26844580221 scopus 로고    scopus 로고
    • 3 liquid in Earth's lower mantle
    • 3 liquid in Earth's lower mantle. Science 2005, 310:297-299.
    • (2005) Science , vol.310 , pp. 297-299
    • Stixrude, L.1    Karki, B.2
  • 30
    • 0035092035 scopus 로고    scopus 로고
    • Self diffusion of Si and O in dacitic liquid at high pressures
    • Tinker D., Lesher C.E. Self diffusion of Si and O in dacitic liquid at high pressures. Am. Mineral. 2001, 86:1-13.
    • (2001) Am. Mineral. , vol.86 , pp. 1-13
    • Tinker, D.1    Lesher, C.E.2
  • 31
    • 0037215430 scopus 로고    scopus 로고
    • Self-diffusion of Si and O in diopside-anorthite melt at high pressures
    • Tinker D., Lesher C.E., Hutcheon I.D. Self-diffusion of Si and O in diopside-anorthite melt at high pressures. Geochim. Cosmochim. Acta 2003, 67:133-142.
    • (2003) Geochim. Cosmochim. Acta , vol.67 , pp. 133-142
    • Tinker, D.1    Lesher, C.E.2    Hutcheon, I.D.3
  • 32
    • 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
  • 33
    • 11944254490 scopus 로고
    • Force fields for silicas and aluminophosphates based on ab initio calculations
    • van Beest B.W.H., Kramer G.J., van Santen R.A. Force fields for silicas and aluminophosphates based on ab initio calculations. Phys. Rev. Lett. 1990, 64:1955-1958.
    • (1990) Phys. Rev. Lett. , vol.64 , pp. 1955-1958
    • van Beest, B.W.H.1    Kramer, G.J.2    van Santen, R.A.3
  • 34
    • 77249161176 scopus 로고    scopus 로고
    • The influence of atomic size and charge of dissolved species on the diffusivity and viscosity of silicate melts
    • Zhang L., Van Orman J.A., Lacks D.J. The influence of atomic size and charge of dissolved species on the diffusivity and viscosity of silicate melts. Am. Mineral. 2009, 94:1735-1738.
    • (2009) Am. Mineral. , vol.94 , pp. 1735-1738
    • Zhang, L.1    Van Orman, J.A.2    Lacks, D.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.