메뉴 건너뛰기




Volumn 60, Issue 10, 1996, Pages 1645-1656

Molecular and lattice dynamics study of the MgO-SiO2 system using a transferable interatomic potential

Author keywords

[No Author keywords available]

Indexed keywords

INTERATOMIC POTENTIAL; LATTICE DYNAMICS; PERICLASE; PEROVSKITE; QUARTZ; THERMOELASTIC PROPERTIES;

EID: 0029750667     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/0016-7037(96)00053-1     Document Type: Article
Times cited : (44)

References (116)
  • 2
  • 4
    • 0000884467 scopus 로고
    • Programs for the dynamic simulation of liquids and solids. II. MDIONS: Rigid ions using the Ewald sum
    • Anastasiou N. and Fincham D. (1982) Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum. Comp. Phys. Commun. 25, 159-172.
    • (1982) Comp. Phys. Commun. , vol.25 , pp. 159-172
    • Anastasiou, N.1    Fincham, D.2
  • 6
    • 0022900919 scopus 로고
    • Properties of iron at the Earth's core conditions
    • Anderson O. L. (1986) Properties of iron at the Earth's core conditions. Geophys. J. R. Astr. Soc. 84, 561-579.
    • (1986) Geophys. J. R. Astr. Soc. , vol.84 , pp. 561-579
    • Anderson, O.L.1
  • 7
    • 0026287207 scopus 로고
    • Thermoelastic parameters for six minerals at high temperature
    • Anderson O. L., Isaak D. L., and Oda H. (1991) Thermoelastic parameters for six minerals at high temperature. J. Geophys. Res. 96, 18037-18046.
    • (1991) J. Geophys. Res. , vol.96 , pp. 18037-18046
    • Anderson, O.L.1    Isaak, D.L.2    Oda, H.3
  • 8
    • 0000394426 scopus 로고
    • Some multistep methods for use in molecular dynamics calculations
    • Beeman D. (1976) Some multistep methods for use in molecular dynamics calculations. J. Comp. Phys. 20, 130-139.
    • (1976) J. Comp. Phys. , vol.20 , pp. 130-139
    • Beeman, D.1
  • 9
    • 0028583443 scopus 로고
    • 3 perovskite at high pressures: Equation of state, structure and melting transition
    • 3 perovskite at high pressures: Equation of state, structure and melting transition, Geochim. Cosmochim. Acta 58, 4039-4047.
    • (1994) Geochim. Cosmochim. Acta , vol.58 , pp. 4039-4047
    • Belonoshko, A.B.1
  • 10
    • 0028259597 scopus 로고
    • Molecular dynamics of silica at high pressures: Equation of state, structure and phase transitions
    • Belonoshko A. B. (1994b) Molecular dynamics of silica at high pressures: Equation of state, structure and phase transitions. Geochim. Cosmochim. Acta 58, 1557-1566.
    • (1994) Geochim. Cosmochim. Acta , vol.58 , pp. 1557-1566
    • Belonoshko, A.B.1
  • 12
    • 0029730015 scopus 로고    scopus 로고
    • Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting: Two-phase simulation
    • in press
    • Belonoshko A. B. and Dubrovinsky L. S. (1996a) Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting: Two-phase simulation. Amer. Mineral. (in press).
    • (1996) Amer. Mineral.
    • Belonoshko, A.B.1    Dubrovinsky, L.S.2
  • 15
    • 0026286304 scopus 로고    scopus 로고
    • Chlorite thermodynamics: Calculations and experiment
    • Belonoshko A. B., Korol'kov G. Ya, and Shilova Z. V. (1991) Chlorite thermodynamics: Calculations and experiment. Geochem. Int. 1, 70-77 (trans. Geokhim. 10, 1453-1460).
    • (1991) Geochem. Int. , vol.1 , pp. 70-77
    • Belonoshko, A.B.1    KoroL'Kov, G.Ya.2    Shilova, Z.V.3
  • 16
    • 0026286304 scopus 로고    scopus 로고
    • trans.
    • Belonoshko A. B., Korol'kov G. Ya, and Shilova Z. V. (1991) Chlorite thermodynamics: Calculations and experiment. Geochem. Int. 1, 70-77 (trans. Geokhim. 10, 1453-1460).
    • Geokhim. , vol.10 , pp. 1453-1460
  • 17
    • 0029506890 scopus 로고
    • Confidence limits for silicate perovskite equations of state
    • Bina C. R. (1995) Confidence limits for silicate perovskite equations of state. Phys. Chem. Miner. 22, 375-382.
    • (1995) Phys. Chem. Miner. , vol.22 , pp. 375-382
    • Bina, C.R.1
  • 18
    • 0001261361 scopus 로고
    • Elasicity and constitution of the Earth's interior
    • Birch F. (1952) Elasicity and constitution of the Earth's interior. J. Geophys. Res. 57, 227-286.
    • (1952) J. Geophys. Res. , vol.57 , pp. 227-286
    • Birch, F.1
  • 19
    • 0027449638 scopus 로고
    • Temperature in the Earth's core from melting-point measurements of iron at high static pressures
    • Boehler R. (1993) Temperature in the Earth's core from melting-point measurements of iron at high static pressures. Nature 363, 534-536.
    • (1993) Nature , vol.363 , pp. 534-536
    • Boehler, R.1
  • 20
    • 0000617851 scopus 로고
    • Equation of state of sodium chlorite up to 32 kbar and 500°C
    • Boehler R. and Kennedy G. (1980) Equation of state of sodium chlorite up to 32 kbar and 500°C. Phys. Chem. Solids 41, 517-523.
    • (1980) Phys. Chem. Solids , vol.41 , pp. 517-523
    • Boehler, R.1    Kennedy, G.2
  • 22
    • 0022218988 scopus 로고
    • On the isothermal compressibility of silicate liquids at high pressure
    • Bottinga Y. (1985) On the isothermal compressibility of silicate liquids at high pressure. Earth Planet. Sci. Lett. 74, 350-360.
    • (1985) Earth Planet. Sci. Lett. , vol.74 , pp. 350-360
    • Bottinga, Y.1
  • 23
    • 84935046120 scopus 로고
    • The application of external forces to computational models of crystals
    • Busing W. R. and Matsui M. (1984) The application of external forces to computational models of crystals. Acta Crystallogr. A40, 532-538.
    • (1984) Acta Crystallogr. , vol.A40 , pp. 532-538
    • Busing, W.R.1    Matsui, M.2
  • 25
    • 0000634725 scopus 로고
    • Melting and melt structure of MgO at high pressures
    • Cohen R. E. and Gong Z. (1994) Melting and melt structure of MgO at high pressures. Phys. Rev. B 50, 12301-12311.
    • (1994) Phys. Rev. b , vol.50 , pp. 12301-12311
    • Cohen, R.E.1    Gong, Z.2
  • 26
    • 0001388317 scopus 로고
    • Modified electron-gas study of the stability, elastic properties and high pressure behavior of MgO and CaO crystals
    • Cohen A. J. and Gordon R. G. (1976) Modified electron-gas study of the stability, elastic properties and high pressure behavior of MgO and CaO crystals. Phys. Rev. B 14, 4503-4505.
    • (1976) Phys. Rev. b , vol.14 , pp. 4503-4505
    • Cohen, A.J.1    Gordon, R.G.2
  • 28
    • 11944265814 scopus 로고
    • Equation of state and shear strength at multimegabar pressures: Magnesium oxide to 227 GPa
    • Duffy T. S., Hemley R. J., and Mao H. K. (1995) Equation of state and shear strength at multimegabar pressures: Magnesium oxide to 227 GPa. Phys. Rev. Lett. 74, 1371-1374.
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 1371-1374
    • Duffy, T.S.1    Hemley, R.J.2    Mao, H.K.3
  • 30
    • 84977266737 scopus 로고
    • Die Berechnung optischer und elektrostatischer Gitterpotentiale
    • Ewald P. P. (1921) Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys. 64, 253-287.
    • (1921) Ann. Phys. , vol.64 , pp. 253-287
    • Ewald, P.P.1
  • 33
    • 0041499272 scopus 로고    scopus 로고
    • 3 perovskite (II); determination of equation of state and its reliability
    • in press
    • 3 perovskite (II); determination of equation of state and its reliability. J. Geophys. Res. (in press).
    • (1996) J. Geophys. Res.
    • Funamori, N.1    Yagi, T.2
  • 36
    • 36849097671 scopus 로고
    • Soft-sphere model for closed-shell atoms and ions
    • Gilbert T. L. (1968) Soft-sphere model for closed-shell atoms and ions. J. Chem. Phys. 49, 2640-2642.
    • (1968) J. Chem. Phys. , vol.49 , pp. 2640-2642
    • Gilbert, T.L.1
  • 38
    • 0000653342 scopus 로고
    • 3 at lower mantle conditions and its geophysical implications
    • 3 at lower mantle conditions and its geophysical implications. J. Geophys. Res. 92, 11437-11444.
    • (1987) J. Geophys. Res. , vol.92 , pp. 11437-11444
    • Heinz, D.L.1    Jeanloz, R.2
  • 39
    • 0041830639 scopus 로고
    • Theoretical study od solid NaF and NaCl at high pressures and temperatures
    • Hemley R. J. and Gordon R. G. (1985) Theoretical study od solid NaF and NaCl at high pressures and temperatures. J. Geophys. Res. 90, 7803-7813.
    • (1985) J. Geophys. Res. , vol.90 , pp. 7803-7813
    • Hemley, R.J.1    Gordon, R.G.2
  • 41
    • 0043172099 scopus 로고
    • Covalent and ionic bond orders: Applications to the alkali halides molecules
    • Hofer O. C. and Ferreira R. J. (1966) Covalent and ionic bond orders: applications to the alkali halides molecules. J. Phys. Chem. 70, 85-94.
    • (1966) J. Phys. Chem. , vol.70 , pp. 85-94
    • Hofer, O.C.1    Ferreira, R.J.2
  • 43
    • 0025207111 scopus 로고
    • Calculated elastic and thermal properties of MgO at high pressures and temperatures
    • Isaak D. G., Cohen R. E., and Mehl M. J. (1990) Calculated elastic and thermal properties of MgO at high pressures and temperatures. J. Geophys. Res. 95, 7055-7067.
    • (1990) J. Geophys. Res. , vol.95 , pp. 7055-7067
    • Isaak, D.G.1    Cohen, R.E.2    Mehl, M.J.3
  • 44
    • 0003110813 scopus 로고
    • 2 at elevated pressures: Implications for the proposed mixed-oxide zone of the Earth's mantle
    • 2 at elevated pressures: implications for the proposed mixed-oxide zone of the Earth's mantle. Phys. Earth Planet. Intl. 14, 86-94.
    • (1977) Phys. Earth Planet. Intl. , vol.14 , pp. 86-94
    • Jackson, I.1
  • 45
    • 0027694443 scopus 로고
    • Thermal properties of NaCl and CsCl crystals under high pressure
    • Jha B. N. (1993) Thermal properties of NaCl and CsCl crystals under high pressure. Phys. B 192, 253-258.
    • (1993) Phys. b , vol.192 , pp. 253-258
    • Jha, B.N.1
  • 48
    • 0027451259 scopus 로고
    • 3 at high temperature: Structural, elastic and thermodynamical properties
    • 3 at high temperature: structural, elastic and thermodynamical properties. Phys. Earth Planet. Intl. 75, 205-224.
    • (1993) Phys. Earth Planet. Intl. , vol.75 , pp. 205-224
    • Kapusta, B.1    Guillopé, M.2
  • 49
    • 0024527728 scopus 로고
    • 3 perovskite to 96 GPa: Evidence for a structural transition in lower mantle melts
    • 3 perovskite to 96 GPa: Evidence for a structural transition in lower mantle melts. Geophys. Res. Lett. 16, 609-612.
    • (1989) Geophys. Res. Lett. , vol.16 , pp. 609-612
    • Knittle, E.1    Jeanloz, R.2
  • 50
  • 51
    • 0007611920 scopus 로고
    • Molecular dynamics and diffusion in silicate melts
    • Kubicki J. D. and Lasaga A. C. (1990) Molecular dynamics and diffusion in silicate melts. Adv. Phys. Geochem. 8, 1-50.
    • (1990) Adv. Phys. Geochem. , vol.8 , pp. 1-50
    • Kubicki, J.D.1    Lasaga, A.C.2
  • 55
  • 56
    • 0002322473 scopus 로고
    • Thermodynamic properties of silicate liquids with emphasis on density, thermal expansion and compressibility
    • Modern Methods of Igneous Petrology: Understanding Magmatic Processes (ed. J. Nicholls and J. K. Russell)
    • Lange R. L. and Carmichael I. S. E. (1990) Thermodynamic properties of silicate liquids with emphasis on density, thermal expansion and compressibility. In Modern Methods of Igneous Petrology: Understanding Magmatic Processes (ed. J. Nicholls and J. K. Russell); Rev. Mineral. 24, 25-64.
    • (1990) Rev. Mineral. , vol.24 , pp. 25-64
    • Lange, R.L.1    Carmichael, I.S.E.2
  • 57
    • 0023104078 scopus 로고
    • Applications of quantum mechanical potential surfaces to mineral physics calculations
    • Lasaga A. C. and Gibbs G. V. (1987) Applications of quantum mechanical potential surfaces to mineral physics calculations. Phys. Chem. Miner. 14, 107-117.
    • (1987) Phys. Chem. Miner. , vol.14 , pp. 107-117
    • Lasaga, A.C.1    Gibbs, G.V.2
  • 58
    • 84989598425 scopus 로고
    • Molecular dynamics simulations of periclase crystallization
    • Lee W.-J. and Kubicki J. D. (1993) Molecular dynamics simulations of periclase crystallization. Geophys. Res. Lett. 20, 2103-2106.
    • (1993) Geophys. Res. Lett. , vol.20 , pp. 2103-2106
    • Lee, W.-J.1    Kubicki, J.D.2
  • 60
    • 0041373331 scopus 로고
    • Melting of iron by significant structure theory
    • Leppaluoto D. A. (1972) Melting of iron by significant structure theory. Phys. Earth. Planet. Intl. 6, 175-181.
    • (1972) Phys. Earth. Planet. Intl. , vol.6 , pp. 175-181
    • Leppaluoto, D.A.1
  • 62
    • 0000918102 scopus 로고
    • Molecular dynamics study of the structural and thermodynamic properties of MgO crystal with quantum correction
    • Matsui M. (1989) Molecular dynamics study of the structural and thermodynamic properties of MgO crystal with quantum correction. J. Chem. Phys. 91, 489-494.
    • (1989) J. Chem. Phys. , vol.91 , pp. 489-494
    • Matsui, M.1
  • 64
    • 0026002292 scopus 로고
    • 3 perovskite at high pressures and temperatures
    • 3 perovskite at high pressures and temperatures. Nature 351, 735-737.
    • (1991) Nature , vol.351 , pp. 735-737
    • Matsui, M.1    Price, G.D.2
  • 69
    • 0042331639 scopus 로고
    • Potential-induced breathing model for the elastic moduli and high-pressure behavior of the cubic alkaline-earth oxides
    • Mehl M. J., Hemley R. J., and Boyer L. L. (1986) Potential-induced breathing model for the elastic moduli and high-pressure behavior of the cubic alkaline-earth oxides. Phys. Rev. B 23, 900-923.
    • (1986) Phys. Rev. B , vol.23 , pp. 900-923
    • Mehl, M.J.1    Hemley, R.J.2    Boyer, L.L.3
  • 70
    • 0024219211 scopus 로고
    • Linearized augmented plane wave electronic calculations for MgO and CaO
    • Mehl M. J., Cohen R. E., and Krakauer H. (1988) Linearized augmented plane wave electronic calculations for MgO and CaO. J. Geophys. Res. 93, 8009-8022.
    • (1988) J. Geophys. Res. , vol.93 , pp. 8009-8022
    • Mehl, M.J.1    Cohen, R.E.2    Krakauer, H.3
  • 71
    • 0020130920 scopus 로고
    • Molecular dynamics of silicon dioxide glass
    • Mitra S. K. (1982) Molecular dynamics of silicon dioxide glass. Phil. Mag. B45, 529-548.
    • (1982) Phil. Mag. , vol.B45 , pp. 529-548
    • Mitra, S.K.1
  • 72
    • 0001487729 scopus 로고
    • Finite deformations of an elastic solid
    • Murnaghan F. D. (1937) Finite deformations of an elastic solid. Amer. J. Mathem. 59, 235-260.
    • (1937) Amer. J. Mathem. , vol.59 , pp. 235-260
    • Murnaghan, F.D.1
  • 73
    • 0020968328 scopus 로고
    • Melting temperature distribution and fractionation in the lower mantle
    • Ohtani E. (1983) Melting temperature distribution and fractionation in the lower mantle. Phys. Earth Planet. Intl. 33, 12-25.
    • (1983) Phys. Earth Planet. Intl. , vol.33 , pp. 12-25
    • Ohtani, E.1
  • 74
    • 0019707626 scopus 로고
    • Polymorphic transitions in single crystals: A new molecular dynamics method
    • Parrinello M. and Rahman A. (1981) Polymorphic transitions in single crystals: A new molecular dynamics method. J. Appt. Phys. 52, 7182-7190.
    • (1981) J. Appt. Phys. , vol.52 , pp. 7182-7190
    • Parrinello, M.1    Rahman, A.2
  • 76
    • 0001471777 scopus 로고
    • Computer modelling of phase transitions in minerals
    • Parker S. C. and Price G. D. (1989) Computer modelling of phase transitions in minerals. Adv. Solid-State Chem. 1, 295-327.
    • (1989) Adv. Solid-State Chem. , vol.1 , pp. 295-327
    • Parker, S.C.1    Price, G.D.2
  • 77
    • 0006873290 scopus 로고
    • Structure prediction of silicate minerals using energy-minimization techniques
    • Parker S. C., Catlow C. R. A., and Cormack A. N. (1984) Structure prediction of silicate minerals using energy-minimization techniques. Acta Cryst. B40, 200-208.
    • (1984) Acta Cryst. , vol.B40 , pp. 200-208
    • Parker, S.C.1    Catlow, C.R.A.2    Cormack, A.N.3
  • 79
    • 0024525803 scopus 로고
    • Lindemann law and the melting temperature of perovskites
    • Pourier J. P. (1989) Lindemann law and the melting temperature of perovskites. Phys. Earth Planet. Intl. 54, 364-369.
    • (1989) Phys. Earth Planet. Intl. , vol.54 , pp. 364-369
    • Pourier, J.P.1
  • 82
    • 49549172545 scopus 로고
    • New methods for searching for neighbours in molecular dynamics computations
    • Quentrec B. and Brot C. (1975) New methods for searching for neighbours in molecular dynamics computations. J. Comp. Phys. 13, 430-432.
    • (1975) J. Comp. Phys. , vol.13 , pp. 430-432
    • Quentrec, B.1    Brot, C.2
  • 83
    • 0021478523 scopus 로고
    • Molecular dynamics simulation of solid n-butane
    • Refson K. (1985) Molecular dynamics simulation of solid n-butane. Phys. 131B, 256-266.
    • (1985) Phys. , vol.131 B , pp. 256-266
    • Refson, K.1
  • 86
    • 0027488353 scopus 로고
    • Experimental evidence for a new iron phase and implications for Earth's core
    • Saxena S. K., Shen G., and Lazor P. (1993b) Experimental evidence for a new iron phase and implications for Earth's core. Science 260, 1312-1314.
    • (1993) Science , vol.260 , pp. 1312-1314
    • Saxena, S.K.1    Shen, G.2    Lazor, P.3
  • 87
    • 0028410980 scopus 로고
    • Temperature in Earth's core based on melting and phase transformation experiments on iron
    • Saxena S. K., Shen G., and Lazo P. (1994) Temperature in Earth's core based on melting and phase transformation experiments on iron. Science 264, 405-407.
    • (1994) Science , vol.264 , pp. 405-407
    • Saxena, S.K.1    Shen, G.2    Lazo, P.3
  • 88
    • 0000050791 scopus 로고
    • Ab initio lattice dynamics and charge fluctuations in alkaline-earth oxides
    • Schutt O., Pavone P., Windl W., Karch K., and Strauch D. (1994) Ab initio lattice dynamics and charge fluctuations in alkaline-earth oxides. Phys. Rev. B 50, 3746-3753.
    • (1994) Phys. Rev. b , vol.50 , pp. 3746-3753
    • Schutt, O.1    Pavone, P.2    Windl, W.3    Karch, K.4    Strauch, D.5
  • 90
    • 0027384845 scopus 로고
    • Melting of wüstite and iron up to pressures of 600 kbar
    • Shen G., Lazor P., and Saxena S. K. (1993) Melting of wüstite and iron up to pressures of 600 kbar. Phys. Chem. Mineral. 20, 91-96.
    • (1993) Phys. Chem. Mineral. , vol.20 , pp. 91-96
    • Shen, G.1    Lazor, P.2    Saxena, S.K.3
  • 91
    • 0027844511 scopus 로고
    • Equation of state and high-pressure phase transitions of stishovite: Ab initio (periodic Hartree-Fock) results
    • Sherman D. M. (1993) Equation of state and high-pressure phase transitions of stishovite: Ab initio (periodic Hartree-Fock) results. J. Geophys. Res. 98, 11865-11873.
    • (1993) J. Geophys. Res. , vol.98 , pp. 11865-11873
    • Sherman, D.M.1
  • 92
    • 0009838740 scopus 로고
    • Die Schmelzkurven von Wasserstoff, Neon, Stickstoff und Argon
    • Simon F., Ruhemann M., and Edwards W. A. M. (1930) Die Schmelzkurven von Wasserstoff, Neon, Stickstoff und Argon. Zietsch. Phys. Chem. B 6, 331-342.
    • (1930) Zietsch. Phys. Chem. B , vol.6 , pp. 331-342
    • Simon, F.1    Ruhemann, M.2    Edwards, W.A.M.3
  • 93
    • 0000332006 scopus 로고
    • Monte Carlo study of the melting and solidification of copper
    • Smolander K. J. (1990) Monte Carlo study of the melting and solidification of copper. Phys. Scripta 42, 485-488.
    • (1990) Phys. Scripta , vol.42 , pp. 485-488
    • Smolander, K.J.1
  • 94
    • 0027382735 scopus 로고
    • Nonfractional crystallization of a terrestrial magma ocean
    • Solomatov V. S. and Stevenson D. J. (1993) Nonfractional crystallization of a terrestrial magma ocean. J. Geophys. Res. 98, 5391-5406.
    • (1993) J. Geophys. Res. , vol.98 , pp. 5391-5406
    • Solomatov, V.S.1    Stevenson, D.J.2
  • 95
    • 49449129086 scopus 로고
    • A thermal model of the Earth
    • Stacey F. D. (1977) A thermal model of the Earth. Phys. Earth. Planet. Intl. 15, 341-348.
    • (1977) Phys. Earth. Planet. Intl. , vol.15 , pp. 341-348
    • Stacey, F.D.1
  • 97
    • 0011344408 scopus 로고
    • Fundamental thermodynamic relations and silicate melting with implications for the constitution of D″
    • Stixrude L. and Bukowinski M. S. T. (1990) Fundamental thermodynamic relations and silicate melting with implications for the constitution of D″. J. Geoph. Res. B12, 19311-19325.
    • (1990) J. Geoph. Res. , vol.B12 , pp. 19311-19325
    • Stixrude, L.1    Bukowinski, M.S.T.2
  • 98
    • 0028601607 scopus 로고
    • The ionic model: Extension to spatial charge distributions
    • Tijskens S., Viaene W. A., and Geerlins P. (1994) The ionic model: extension to spatial charge distributions. Phys. Chem. Mineral. 20, 601-616.
    • (1994) Phys. Chem. Mineral. , vol.20 , pp. 601-616
    • Tijskens, S.1    Viaene, W.A.2    Geerlins, P.3
  • 99
    • 3743068676 scopus 로고
    • First-principles interatomic potential of silica applied to molecular dynamics
    • Tsuneyuki S., Tsukada M., Aoki H., and Matsui Y. (1988) First-principles interatomic potential of silica applied to molecular dynamics. Phys. Rev. Lett. 61, 869-872.
    • (1988) Phys. Rev. Lett. , vol.61 , pp. 869-872
    • Tsuneyuki, S.1    Tsukada, M.2    Aoki, H.3    Matsui, Y.4
  • 101
    • 0029539029 scopus 로고
    • Energy minimum criteria in modelling structures and properties of minerals
    • Urusov V. S. and Eremin N. N. (1995) Energy minimum criteria in modelling structures and properties of minerals. Phys. Chem. Miner. 22, 151-158.
    • (1995) Phys. Chem. Miner. , vol.22 , pp. 151-158
    • Urusov, V.S.1    Eremin, N.N.2
  • 102
    • 21344491859 scopus 로고
    • Computer simulation of the structure and elastic properties of rutile-type oxides by the method of minimization of the energy of atomic interactions
    • Urusov V. S., Dubrovinsky L. S., Vasserman E. A., and Eremi N. N. (1994) Computer simulation of the structure and elastic properties of rutile-type oxides by the method of minimization of the energy of atomic interactions. Cryst. Rep. 39, 446-456.
    • (1994) Cryst. Rep. , vol.39 , pp. 446-456
    • Urusov, V.S.1    Dubrovinsky, L.S.2    Vasserman, E.A.3    Eremi, N.N.4
  • 104
    • 0001551339 scopus 로고
    • Computer experiments on classical fluids. I. Thermodynamical properties of Lervnard-Jones molecules
    • Verlet L. (1967) Computer experiments on classical fluids. I. Thermodynamical properties of Lervnard-Jones molecules. Phys. Rev. 165, 201-214.
    • (1967) Phys. Rev. , vol.165 , pp. 201-214
    • Verlet, L.1
  • 105
    • 0006656688 scopus 로고
    • 3 perovskite: A computer simulation
    • ed. A. Navrotsky and D. J. Weidner Amer. Geophys. Union
    • 3 perovskite: a computer simulation. In Proceedings of the Perovskite Chapman Conference (ed. A. Navrotsky and D. J. Weidner) pp. 45-53. Amer. Geophys. Union.
    • (1989) Proceedings of the Perovskite Chapman Conference , pp. 45-53
    • Wall, A.1    Price, G.D.2
  • 108
    • 0004667839 scopus 로고
    • M.S. thesis, University of Illinois at Urbana
    • Wang H. (1989) Elasticity of silicate glasses. M.S. thesis, University of Illinois at Urbana.
    • (1989) Elasticity of Silicate Glasses
    • Wang, H.1
  • 109
    • 0001532225 scopus 로고
    • 3 Perovskite Derived from Large Scale Molecular Dynamics Simulations
    • 3 Perovskite Derived from Large Scale Molecular Dynamics Simulations. Phys. Chem. Mineral. 18, 407-415.
    • (1992) Phys. Chem. Mineral. , vol.18 , pp. 407-415
    • Winkler, B.1    Dove, T.M.2
  • 110
    • 0026082244 scopus 로고
    • Static lattice energy minimization and lattice dynamics calculations on aluminosilicate minerals
    • Winkler B., Dove M. T., and Leslie M. (1991) Static lattice energy minimization and lattice dynamics calculations on aluminosilicate minerals. Amer. Mineral. 76, 313-331.
    • (1991) Amer. Mineral. , vol.76 , pp. 313-331
    • Winkler, B.1    Dove, M.T.2    Leslie, M.3
  • 111
    • 34250093249 scopus 로고
    • Variational stabilization of the ionic charge densities in electron-gas theory of crystals: Applications to MgO and CaO
    • Wolf G. H. and Bukowinski M. S. T. (1988) Variational stabilization of the ionic charge densities in electron-gas theory of crystals: applications to MgO and CaO. Phys. Chem. Miner. 15, 209-220.
    • (1988) Phys. Chem. Miner. , vol.15 , pp. 209-220
    • Wolf, G.H.1    Bukowinski, M.S.T.2
  • 112
    • 0021639186 scopus 로고
    • Lindemann melting law: Anharmonic correction and test of its validity for minerals
    • Wolf G. H. and Jeanloz R. (1984) Lindemann melting law: Anharmonic correction and test of its validity for minerals. J. Geophys. Res. 89, 7821-7835.
    • (1984) J. Geophys. Res. , vol.89 , pp. 7821-7835
    • Wolf, G.H.1    Jeanloz, R.2
  • 115
    • 0027842927 scopus 로고
    • 3-perovskite to 625 kilobars: Indication of a High Melting Temperature in the Lower Mantle
    • 3-perovskite to 625 kilobars: Indication of a High Melting Temperature in the Lower Mantle. Science 262, 553-555.
    • (1993) Science , vol.262 , pp. 553-555
    • Zerr, A.1    Boehler, R.2
  • 116
    • 0028165606 scopus 로고
    • Constraints on the melting temperature of the lower mantle from high-pressure experiments on MgO and magnesiowustite
    • Zerr A. and Boehler R. (1994) Constraints on the melting temperature of the lower mantle from high-pressure experiments on MgO and magnesiowustite. Nature 371, 506-508.
    • (1994) Nature , vol.371 , pp. 506-508
    • Zerr, A.1    Boehler, R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.