메뉴 건너뛰기




Volumn 260, Issue 1-2, 2007, Pages 212-226

The 10 Å phase at high pressure by first principles calculations and implications for the petrology of subduction zones

Author keywords

10 phase; first principles calculations; high pressure; hydrous phase; subduction

Indexed keywords

BASAL OXYGENS; FIRST PRINCIPLES CALCULATIONS; GENERALIZED GRADIENT APPROXIMATIONS (GGA); SUBDUCTION ZONES;

EID: 34447288732     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2007.05.030     Document Type: Article
Times cited : (27)

References (54)
  • 1
    • 0001720312 scopus 로고
    • Bulk modulus-volume relationship for oxide compounds and related geophysical problems
    • Anderson O.L., and Nafe J.E. Bulk modulus-volume relationship for oxide compounds and related geophysical problems. J. Geophys. Res. (1965) 3951-3960
    • (1965) J. Geophys. Res. , pp. 3951-3960
    • Anderson, O.L.1    Nafe, J.E.2
  • 2
    • 0035207067 scopus 로고    scopus 로고
    • Stabilities and equations of state of dense hydrous magnesium silicates
    • Angel R.J., Frost D.J., Ross N.L., and Hemley R. Stabilities and equations of state of dense hydrous magnesium silicates. Phys. Earth Planet. Inter. 127 (2001) 181-196
    • (2001) Phys. Earth Planet. Inter. , vol.127 , pp. 181-196
    • Angel, R.J.1    Frost, D.J.2    Ross, N.L.3    Hemley, R.4
  • 3
    • 0002326227 scopus 로고    scopus 로고
    • Introduction
    • Bailey S.W. (Ed), Mineral. Soc. Am., Washington, DC
    • Bailey S.W. Introduction. In: Bailey S.W. (Ed). Rev. Mineral. vol. 19 (1998), Mineral. Soc. Am., Washington, DC 1-8
    • (1998) Rev. Mineral. , vol.19 , pp. 1-8
    • Bailey, S.W.1
  • 5
    • 0000954156 scopus 로고    scopus 로고
    • A Monte Carlo study of water at an uncharged clay surface
    • Bridgeman C.H., and Skipper N.T. A Monte Carlo study of water at an uncharged clay surface. J. Phys., Condens. Matter 9 (1997) 4081-4087
    • (1997) J. Phys., Condens. Matter , vol.9 , pp. 4081-4087
    • Bridgeman, C.H.1    Skipper, N.T.2
  • 6
    • 0001036167 scopus 로고    scopus 로고
    • Ab-initio total energy study of uncharged 2:1 clays and their interaction with water
    • Bridgeman C.H., Buckingham A.D., Skipper N.T., and Payne M.C. Ab-initio total energy study of uncharged 2:1 clays and their interaction with water. Mol. Phys. 89 (1996) 879-888
    • (1996) Mol. Phys. , vol.89 , pp. 879-888
    • Bridgeman, C.H.1    Buckingham, A.D.2    Skipper, N.T.3    Payne, M.C.4
  • 8
    • 2142758775 scopus 로고    scopus 로고
    • A single crystal study on the pressure behavior of phlogopite and petrological implications
    • Comodi P., Fumagalli P., Montagnoli M., and Zanazzi P.F. A single crystal study on the pressure behavior of phlogopite and petrological implications. Am. Mineral. 89 (2004) 647-653
    • (2004) Am. Mineral. , vol.89 , pp. 647-653
    • Comodi, P.1    Fumagalli, P.2    Montagnoli, M.3    Zanazzi, P.F.4
  • 9
    • 20444488685 scopus 로고    scopus 로고
    • The 10 Å phase: crystal structure from X-ray single-crystal data
    • Comodi P., Fumagalli P., Nazzareni S., and Zanazzi P.F. The 10 Å phase: crystal structure from X-ray single-crystal data. Am. Mineral. 90 (2005) 1012-1016
    • (2005) Am. Mineral. , vol.90 , pp. 1012-1016
    • Comodi, P.1    Fumagalli, P.2    Nazzareni, S.3    Zanazzi, P.F.4
  • 10
    • 33746917197 scopus 로고    scopus 로고
    • The high pressure behaviour of the 10 Å phase: a spectroscopic and diffractometric study up to 42 GPa
    • Comodi P., Cera F., Dubrovinsky L., and Nazareni S. The high pressure behaviour of the 10 Å phase: a spectroscopic and diffractometric study up to 42 GPa. Earth Planet. Sci. Lett. 246 (2006) 444-457
    • (2006) Earth Planet. Sci. Lett. , vol.246 , pp. 444-457
    • Comodi, P.1    Cera, F.2    Dubrovinsky, L.3    Nazareni, S.4
  • 11
    • 0442326619 scopus 로고    scopus 로고
    • Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field
    • Cygan R.T., Liang J., and Kalinichev A.G. Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field. J. Phys. Chem., B 108 (2004) 1255-1266
    • (2004) J. Phys. Chem., B , vol.108 , pp. 1255-1266
    • Cygan, R.T.1    Liang, J.2    Kalinichev, A.G.3
  • 12
    • 11944265814 scopus 로고
    • Equation of State and shear strength at multimegabar pressures: magnesium oxide to 227 GPa
    • Duffy T.S., Russell J.H., and Mao H. Equation of State and shear strength at multimegabar pressures: magnesium oxide to 227 GPa. Phys. Rev. Lett. 74 (1995) 1371-1374
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 1371-1374
    • Duffy, T.S.1    Russell, J.H.2    Mao, H.3
  • 13
    • 0001775745 scopus 로고    scopus 로고
    • The stability of dense hydrous magnesium silicates in Earth's transition zone and lower mantle
    • Mantle Petrology: Field Observations and High Pressure Experimentation: a Tribute to Francis R. (Joe) Boyd. Fei Y.-W., Bertka C., and Mysen B.O. (Eds)
    • Frost D.J. The stability of dense hydrous magnesium silicates in Earth's transition zone and lower mantle. In: Fei Y.-W., Bertka C., and Mysen B.O. (Eds). Mantle Petrology: Field Observations and High Pressure Experimentation: a Tribute to Francis R. (Joe) Boyd. The Geochemical Society, Special Publication vol. 6 (1999) 283-296
    • (1999) The Geochemical Society, Special Publication , vol.6 , pp. 283-296
    • Frost, D.J.1
  • 14
    • 0025626563 scopus 로고
    • Changes in the properties of a montmorillonite-water system during the adsorption and desorption of water: hysteresis
    • Fu M.H., Zhang Z.Z., and Low P.F. Changes in the properties of a montmorillonite-water system during the adsorption and desorption of water: hysteresis. Clays Clay Miner. 5 (1990) 485-492
    • (1990) Clays Clay Miner. , vol.5 , pp. 485-492
    • Fu, M.H.1    Zhang, Z.Z.2    Low, P.F.3
  • 15
    • 34447248912 scopus 로고    scopus 로고
    • Fumagalli P. Subsolidus phase relations in K-doped lherzolites and the composition of phlogopite to 6.0 GPa: an experimental study. Geophysical Research Abstracts vol. 5 (2003) 12436
    • (2003) Geophysical Research Abstracts , vol.5 , pp. 12436
    • Fumagalli, P.1
  • 16
    • 14744297145 scopus 로고    scopus 로고
    • Experimentally determined phase relations in hydrous peridotites to 6.5 GPa and their consequences on the dynamics of subduction zones
    • Fumagalli P., and Poli S. Experimentally determined phase relations in hydrous peridotites to 6.5 GPa and their consequences on the dynamics of subduction zones. J. Petrol. 46 (2005) 555-578
    • (2005) J. Petrol. , vol.46 , pp. 555-578
    • Fumagalli, P.1    Poli, S.2
  • 17
    • 0035044910 scopus 로고    scopus 로고
    • The 10 Å phase: a high-pressure expandable sheet silicate stable during subduction of hydrated lithosphere
    • Fumagalli P., Stixrude L., Poli S., and Snyder D. The 10 Å phase: a high-pressure expandable sheet silicate stable during subduction of hydrated lithosphere. Earth Planet. Sci. Lett. 186 (2001) 125-141
    • (2001) Earth Planet. Sci. Lett. , vol.186 , pp. 125-141
    • Fumagalli, P.1    Stixrude, L.2    Poli, S.3    Snyder, D.4
  • 19
    • 0036589930 scopus 로고    scopus 로고
    • Experimental constraints on phase relations in subducted continental crust
    • Hermann J. Experimental constraints on phase relations in subducted continental crust. Contrib. Mineral. Petrol. 143 (2002) 219-235
    • (2002) Contrib. Mineral. Petrol. , vol.143 , pp. 219-235
    • Hermann, J.1
  • 20
    • 0032989044 scopus 로고    scopus 로고
    • Vibrational spectra of dense, hydrous magnesium silicates at high pressure: importance of hydrogen bond angle
    • Hofmeinster A.M., Cynn H., Burnley P.C., and Meade C. Vibrational spectra of dense, hydrous magnesium silicates at high pressure: importance of hydrogen bond angle. Am. Mineral. 84 (1999) 454-464
    • (1999) Am. Mineral. , vol.84 , pp. 454-464
    • Hofmeinster, A.M.1    Cynn, H.2    Burnley, P.C.3    Meade, C.4
  • 21
    • 0345476470 scopus 로고
    • Effect of pressure on the Raman vibrational-modes of layered aluminosilicate compounds
    • Holtz M., Solin S.A., and Pinnavaia T.J. Effect of pressure on the Raman vibrational-modes of layered aluminosilicate compounds. Phys. Rev., B (1993) 13312-13317
    • (1993) Phys. Rev., B , pp. 13312-13317
    • Holtz, M.1    Solin, S.A.2    Pinnavaia, T.J.3
  • 22
    • 0034928487 scopus 로고    scopus 로고
    • Extrinsic and intrinsic mode of hydrogen occurrence in natural olivines: FTIR and TEM investigation
    • Kishina N.R., Wirth R., Andrut M., and Ukhanov A.V. Extrinsic and intrinsic mode of hydrogen occurrence in natural olivines: FTIR and TEM investigation. Phys. Chem. Miner. 28 (2001) 291-301
    • (2001) Phys. Chem. Miner. , vol.28 , pp. 291-301
    • Kishina, N.R.1    Wirth, R.2    Andrut, M.3    Ukhanov, A.V.4
  • 23
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors
    • Kresse G., and Furthmüller J. Efficiency of ab-initio total energy calculations for metals and semiconductors. Comput. Mater. Sci. 6 (1996) 15-50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 24
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse G., and Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev., B 54 (1996) 11169-11186
    • (1996) Phys. Rev., B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 25
    • 12844286241 scopus 로고
    • Ab initio molecular-dynamics for liquid-metals
    • Kresse G., and Hafner J. Ab initio molecular-dynamics for liquid-metals. Phys. Rev., B 47 (1993) 558-561
    • (1993) Phys. Rev., B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 26
    • 0028763270 scopus 로고
    • Norm-conserving and ultrasoft pseudopotential for first-row and transition-elements
    • Kresse G., and Hafner J. Norm-conserving and ultrasoft pseudopotential for first-row and transition-elements. J. Phys., Condens. Matter (1994) 8245-8257
    • (1994) J. Phys., Condens. Matter , pp. 8245-8257
    • Kresse, G.1    Hafner, J.2
  • 27
    • 26844561498 scopus 로고    scopus 로고
    • 3: a low temperature IR and Raman spectroscopic study
    • 3: a low temperature IR and Raman spectroscopic study. Am. Mineral. 90 (2005) 1335-1341
    • (2005) Am. Mineral. , vol.90 , pp. 1335-1341
    • Kolesov, B.A.1    Geiger, C.A.2
  • 28
    • 0000072776 scopus 로고    scopus 로고
    • Correlation of O-H stretching frequencies and O-H...O hydrogen bond lengths in minerals
    • Libowitzky E. Correlation of O-H stretching frequencies and O-H...O hydrogen bond lengths in minerals. Monatsh. Chem. 130 (1999) 1047-1059
    • (1999) Monatsh. Chem. , vol.130 , pp. 1047-1059
    • Libowitzky, E.1
  • 29
    • 0030436651 scopus 로고    scopus 로고
    • FTIR spectroscopy of lawsonite
    • Libowitzky E., and Rossman G.R. FTIR spectroscopy of lawsonite. Am. Mineral. 81 (1996) 1080-1091
    • (1996) Am. Mineral. , vol.81 , pp. 1080-1091
    • Libowitzky, E.1    Rossman, G.R.2
  • 30
    • 0037454011 scopus 로고    scopus 로고
    • Structure and strength of hydrogen bonds in inorganic solids
    • Lutz H.D. Structure and strength of hydrogen bonds in inorganic solids. J. Mol. Struct. 646 (2003) 227-236
    • (2003) J. Mol. Struct. , vol.646 , pp. 227-236
    • Lutz, H.D.1
  • 31
    • 1842816907 scopus 로고
    • Special points for brillouin-zone integrations
    • Monkhurst H.J., and Pack J.D. Special points for brillouin-zone integrations. Phys. Rev., B 13 (1976) 5188-5192
    • (1976) Phys. Rev., B , vol.13 , pp. 5188-5192
    • Monkhurst, H.J.1    Pack, J.D.2
  • 32
    • 33645226305 scopus 로고    scopus 로고
    • High-pressure proton disorder in brucite
    • Mookherjee M., and Stixrude L. High-pressure proton disorder in brucite. Am. Mineral. 91 (2006) 127-134
    • (2006) Am. Mineral. , vol.91 , pp. 127-134
    • Mookherjee, M.1    Stixrude, L.2
  • 33
    • 0037494759 scopus 로고    scopus 로고
    • Equation of state and compressibility of phlogopite by in situ X-ray powder diffraction
    • Pavese A., Levy D., Curetti N., Diella V., Fumagalli P., and Sani A. Equation of state and compressibility of phlogopite by in situ X-ray powder diffraction. Eur. J. Mineral. 15 (2003) 455-463
    • (2003) Eur. J. Mineral. , vol.15 , pp. 455-463
    • Pavese, A.1    Levy, D.2    Curetti, N.3    Diella, V.4    Fumagalli, P.5    Sani, A.6
  • 35
    • 33845672399 scopus 로고    scopus 로고
    • The 10-Å phase: structural constrains from neutron powder diffraction
    • (S86)
    • Pawley A.R., Welch M.D., and Smith R.I. The 10-Å phase: structural constrains from neutron powder diffraction. Lithos 73 (2004) 1-2 (S86)
    • (2004) Lithos , vol.73 , pp. 1-2
    • Pawley, A.R.1    Welch, M.D.2    Smith, R.I.3
  • 37
    • 33845267905 scopus 로고
    • Quadratic elongation - quantitative measure of distortion of coordination polyhedra
    • Robinson K., Gibbs G.V., and Ribbe P.H. Quadratic elongation - quantitative measure of distortion of coordination polyhedra. Science 172 (1971) 567-569
    • (1971) Science , vol.172 , pp. 567-569
    • Robinson, K.1    Gibbs, G.V.2    Ribbe, P.H.3
  • 38
  • 40
    • 34447287678 scopus 로고    scopus 로고
    • Scott, H.P., Liu, Z., Hemley, R.J., Williams, Q., submitted for publication. High-pressure infrared spectra of talc and lawsonite. Am. Mineral.
  • 41
    • 22944451624 scopus 로고
    • Structure of water adsorbed on smectites
    • Sposito G., and Prost R. Structure of water adsorbed on smectites. Chem. Rev. 6 (1982) 553-573
    • (1982) Chem. Rev. , vol.6 , pp. 553-573
    • Sposito, G.1    Prost, R.2
  • 42
    • 84889528444 scopus 로고
    • Geometric analysis of non-ionic O-H...O hydrogen bonds and non-bonding arrangements in neutron diffraction studies of carbohydrates
    • Steiner T.H., and Saenger W. Geometric analysis of non-ionic O-H...O hydrogen bonds and non-bonding arrangements in neutron diffraction studies of carbohydrates. Acta Crystallogr., B 48 (1992) 819-827
    • (1992) Acta Crystallogr., B , vol.48 , pp. 819-827
    • Steiner, T.H.1    Saenger, W.2
  • 43
    • 17944390740 scopus 로고    scopus 로고
    • Talc under tension and compression: spinodal instability, elasticity, and structure
    • Stixrude L. Talc under tension and compression: spinodal instability, elasticity, and structure. J. Geophys. Res. 107 B12 (2002) 23-27
    • (2002) J. Geophys. Res. , vol.107 , Issue.B12 , pp. 23-27
    • Stixrude, L.1
  • 44
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev., B 41 (1990) 7892-7895
    • (1990) Phys. Rev., B , vol.41 , pp. 7892-7895
    • Vanderbilt, D.1
  • 45
    • 0021033463 scopus 로고
    • Infrared OH-stretch bands in potassic micas, talcs and saponites - influence of electronic configuration and site of charge compensation
    • Velde B. Infrared OH-stretch bands in potassic micas, talcs and saponites - influence of electronic configuration and site of charge compensation. Am. Mineral. (1983) 1169-1173
    • (1983) Am. Mineral. , pp. 1169-1173
    • Velde, B.1
  • 46
    • 0036055334 scopus 로고    scopus 로고
    • The nature of disorder in montmorillonite by simulation of X-ray powder patterns
    • Viani A., Gaultieri A.F., and Artioli G. The nature of disorder in montmorillonite by simulation of X-ray powder patterns. Am. Mineral. 87 (2002) 966-975
    • (2002) Am. Mineral. , vol.87 , pp. 966-975
    • Viani, A.1    Gaultieri, A.F.2    Artioli, G.3
  • 47
    • 2442676873 scopus 로고    scopus 로고
    • Molecular modelling of the 10-Å phase at subduction zone conditions
    • Wang J., Kanilichev A.G., and Kirkpatrick R.J. Molecular modelling of the 10-Å phase at subduction zone conditions. Earth Planet. Sci. Lett. 222 (2004) 517-527
    • (2004) Earth Planet. Sci. Lett. , vol.222 , pp. 517-527
    • Wang, J.1    Kanilichev, A.G.2    Kirkpatrick, R.J.3
  • 48
    • 23844556247 scopus 로고    scopus 로고
    • Structure and decompression melting of a novel, high-pressure nanoconfined 2-D ice
    • Wang J., Kanilichev A.G., and Kirkpatrick R.J. Structure and decompression melting of a novel, high-pressure nanoconfined 2-D ice. J. Phys. Chem., B 109 (2005) 14308-14313
    • (2005) J. Phys. Chem., B , vol.109 , pp. 14308-14313
    • Wang, J.1    Kanilichev, A.G.2    Kirkpatrick, R.J.3
  • 50
    • 0036855739 scopus 로고    scopus 로고
    • Interlayer vacancy characterization of synthetic phlogopitic micas by IR spectroscopy
    • Wunder B., and Melzer. Interlayer vacancy characterization of synthetic phlogopitic micas by IR spectroscopy. Eur. J. Mineral. 14 (2003) 1129-1138
    • (2003) Eur. J. Mineral. , vol.14 , pp. 1129-1138
    • Wunder, B.1    Melzer2
  • 51
    • 0026478619 scopus 로고
    • 2O (MSH). What about hydrous MSH phases in subduction zones?
    • 2O (MSH). What about hydrous MSH phases in subduction zones?. J. Petrol. 33 (1992) 877-889
    • (1992) J. Petrol. , vol.33 , pp. 877-889
    • Wunder, B.1    Schreyer, W.2
  • 52
    • 1842737697 scopus 로고    scopus 로고
    • Bonding properties of the water dimer: a comparative study of density functional theories
    • Xu X., and Goddard W.A. Bonding properties of the water dimer: a comparative study of density functional theories. J. Phys. Chem., A 108 12 (2004) 2305-2313
    • (2004) J. Phys. Chem., A , vol.108 , Issue.12 , pp. 2305-2313
    • Xu, X.1    Goddard, W.A.2
  • 54
    • 34447253397 scopus 로고    scopus 로고
    • Phase relations in amphibole-bearing ultramafics: experimental results up to 3 GPa and 1000 °C
    • Zanchetta S., Fumagalli P., and Poli S. Phase relations in amphibole-bearing ultramafics: experimental results up to 3 GPa and 1000 °C. Epitome 1 (2005) 143
    • (2005) Epitome , vol.1 , pp. 143
    • Zanchetta, S.1    Fumagalli, P.2    Poli, S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.