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Original Articles

First-principles study of the effect of water on the phase transitions in Mg2SiO4 forsterite

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Pages 318-324 | Received 19 Jan 2010, Accepted 28 Apr 2010, Published online: 02 Jun 2010

References

  • Inoue , T. , Yurimoto , H. and Kudoh , Y. 1995 . Hydrous modified spinel, Mg SiH : A new water reservoir in the mantle transition region . Geophys. Res. Lett. , 22 : 117 – 120 .
  • Kohlstedt , D. L. , Keppler , H. and Rubie , D. C. 1996 . Solubility of water in the α, β and γ phases of (Mg,Fe) SiO . Contrib. Miner. Petrol. , 123 : 345 – 357 .
  • Wang , J. Y. , Sinogeikin , S. V. , Inoue , T. and Bass , J. D. 2006 . Elastic properties of hydrous ringwoodite at high-pressure conditions . Geophys. Res. Lett. , 33 L14308
  • Mao , Z. , Jacobsen , S. D. , Jiang , F. , Smyth , J. R. , Holl , C. M. , Frost , D. J. and Duffy , T. S. 2008 . Single-crystal elasticity of wadsleyites, β -Mg SiO , containing 0.37-1.66 wt.% H . Earth. Planet. Sci. Lett. , 266 : 78 – 89 .
  • Jacobsen , S. D. , Jiang , F. M. , Mao , Z. , Duffy , T. S. , Smyth , J. R. , Holl , C. M. and Frost , D. J. 2008 . Effects of hydration on the elastic properties of olivine . Geophys. Res. Lett. , 35 L14303
  • Jung , H. , Katayama , I. , Jiang , Z. , Hiraga , T. and Karato , S. 2006 . Effect of water and stress on the lattice-preferred orientation of olivine . Tectonophysics , 421 : 1 – 22 .
  • Hirth , G. and Kohlstedt , D. L. 1996 . Water in the oceanic upper mantle: Implications for rheology, melt extraction and the evolution of the lithosphere . Earth. Planet. Sci. Lett. , 144 : 93 – 108 .
  • Manthilake , M. A.G.M. , Matsuzaki , T. , Yoshino , T. , Yamashita , S. , Ito , E. and Katsura , T. 2009 . Electrical conductivity of wadsleyite as a function of temperature and water content . Phys. Earth Planet. Inter. , 174 : 10 – 18 .
  • Inoue , T. , Tanimoto , Y. , Irifune , T. , Suzuki , T. , Fukui , H. and Ohtaka , O. 2004 . Thermal expansion of wadsleyite, ringwoodite, hydrous wadsleyite and hydrous ringwoodite . Phys. Earth Planet. Inter. , 143–144 : 279 – 290 .
  • Wood , B. J. 1995 . The effect of H O on the 410-kilometer seismic discontinuity . Science , 268 : 74 – 76 .
  • Kubo , T. , Ohtani , E. , Kato , T. , Shinmei , T. and Fujino , K. 1998 . Effects of water on the transformation kinetics in San Carlos olivine . Science , 281 : 85 – 87 .
  • Chen , J. H. , Inoue , T. , Yurimoto , H. and Weidner , D. J. 2002 . Effect of water on olivine-wadsleyite phase boundary in the (Mg, Fe) SiO system . Geophys. Res. Lett. , 29 : 22-1 – 4 .
  • Smyth , J. R. and Frost , D. J. 2002 . The effect of water on the 410-km discontinuity: An experimental study . Geophys. Res. Lett. , 29 : 123-1 – 4 .
  • Litasov , K. D. , Ohtani , E. , Kagi , H. and Ghosh , S. 2006 . Influence of water on olivine-wadsleyite phase transformation and water partitioning near 410-km seismic discontinuity . AIP Conf. Proc. , 833 : 150 – 155 .
  • Frost , D. J. and Dolejs , D. 2007 . Experimental determination of the effect of H O on the 410-km seismic discontinuity . Earth. Planet. Sci. Lett. , 256 : 182 – 195 .
  • Kohn , W. and Sham , L. J. 1965 . Self-consistent equations including exchange and correlation effects . Phys. Rev. , 140 : A1133 – A1138 .
  • Yu , Y. G.G. , Wu , Z. Q. and Wentzcovitch , R. M. 2008 . transformations in Mg SiO in Earth's transition zone . Earth. Planet. Sci. Lett. , 273 : 115 – 122 .
  • Yu , Y. G. , Wentzcovitch , R. M. , Tsuchiya , T. , Umemoto , K. and Weidner , D. J. 2007 . First principles investigation of the postspinel transition in Mg SiO . Geophys. Res. Lett. , 34 : L10306-1 – 4 .
  • Liu , L. , Du , J. , Zhao , J. , Liu , H. , Wu , D. and Zhao , F. 2008 . Study of high-pressure and high-temperature behaviors and α -to-β phase transition of forsterite by first-principles and quasi-harmonic Debye model . Comput. Phys. Commun. , 179 : 417 – 423 .
  • Liu , L. , Du , J. , Zhao , J. , Liu , H. , Gao , H. and Chen , Y. 2009 . Elastic properties of hydrous forsterites under high pressure: First-principle calculations . Phys. Earth Planet. Inter. , 176 : 89 – 97 .
  • Tsuchiya , J. and Tsuchiya , T. 2009 . First principles investigation of the structural and elastic properties of hydrous wadsleyite under pressure . J. Geophys. Res. , 114 B02206
  • Blanchard , M. , Balan , E. and Wright , K. 2009 . Incorporation of water in iron-free ringwoodite: A first-principles study . Am. Miner. , 94 : 83 – 89 .
  • Vanderbilt , D. 1990 . Soft self-consistent pseudopotentials in a generalized eigenvalue formalism . Phys. Rev. B , 41 : 7892 – 7895 .
  • Kresse , G. and Furthmuller , J. 1996 . Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set . Phys. Rev. B , 54 : 11169 – 11186 .
  • Hamann , D. R. 1997 . O hydrogen bonding in density-functional theory . Phys. Rev. B , 55 : 10157 – 10160 .
  • Perdew , J. P. , Chevary , J. A. , Vosko , S. H. , Jackson , K. A. , Pederson , M. R. , Singh , D. J. and Fiolhais , C. 1992 . Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation . Phys. Rev. B , 46 : 6671 – 6687 .
  • Smyth , J. R. , Frost , D. J. , Nestola , F. , Holl , C. M. and Bromiley , G. 2006 . Olivine hydration in the deep upper mantle: Effects of temperature and silica activity . Geophys. Res. Lett. , 33 L15301
  • Weidner , D. J. , Sawamoto , H. , Sasaki , S. and Kumazawa , M. 1984 . Single-crystal elastic properties of the modified spinel β phase of magnesium orthosilicate . J. Geophys. Res. , 89 : 7852 – 7860 .
  • Kiefer , B. , Stixrude , L. and Wentzcovitch , R. M. 1997 . Calculated elastic constants and anisotropy of Mg SiO spinel at high pressure . Geophys. Res. Lett. , 24 : 2841 – 2844 .
  • Li , B. 2003 . Compressional and shear wave velocities of ringwoodite γ -Mg SiO to 12 GPa . Am. Miner. , 88 : 1312 – 1317 .
  • Sinogeikin , S. V. , Katsura , T. and Bass , J. D. 1998 . Sound velocities and elastic properties of Fe-bearing wadsleyite and ringwoodite . J. Geophys. Res. , 103 : 20819 – 20825 .
  • Kudoh , Y. , Kuribayashi , T. , Mizobata , H. , Ohtani , E. , Sasaki , S. and Tanaka , M. 2007 . Pressure dependence of u parameter in ringwoodite up to 7.9 GPa . J. Miner. Petrol. Sci. , 102 : 8 – 11 .
  • Smyth , J. R. , Holl , C. M. , Frost , D. J. and Jacobsen , S. D. 2004 . High pressure crystal chemistry of hydrous ringwoodite and water in the Earth's interior . Phys. Earth Planet. Inter. , 143 : 271 – 278 .
  • Oganov , A. R. , Brodholt , J. P. and Price , G. D. 2001 . The elastic constants of MgSiO perovskite at pressures and temperatures of the Earth's mantle . Nature , 411 : 934 – 937 .
  • Katsura , T. , Yamada , H. , Nishikawa , O. , Song , M. , Kubo , A. , Shinmei , T. , Yokoshi , S. , Aizawa , Y. , Yoshino , T. , Walter , M. J. , Ito , E. and Funakoshi , K.-i. 2004 . Olivine-wadsleyite transition in the system (Mg,Fe) SiO . J. Geophys. Res. , 109 B02209
  • Suzuki , A. , Ohtani , E. , Morishima , H. , Kubo , T. , Kanbe , Y. , Kondo , T. , Okada , T. , Terasaki , H. , Kato , T. and Kikegawa , T. 2000 . In situ determination of the phase boundary between wadsleyite and ringwoodite in Mg SiO . Geophys. Res. Lett. , 27 : 803 – 806 .
  • Demouchy , S. , Deloule , E. , Frost , D. J. and Keppler , H. 2005 . Pressure and temperature-dependence of water solubility in Fe-free wadsleyite . Am. Miner. , 90 : 1084 – 1091 .

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