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Original Articles

Pressure-induced Structural Transformations in Framework Crystal Structures

A Molecular Dynamics Study of Silica

, &
Pages 227-238 | Received 01 May 1990, Accepted 01 Jun 1990, Published online: 23 Sep 2006

References

  • 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 This approach has been extended to the α to β phase transition in quartz by S. Tsuneyuki, H. Aoki, M. Tsukada and Y. Matsui, Molecular dynamics study of the α to β structural phase transition of quartz. Phys. Rev. Lett., 64, 776 (1990)
  • Price , G. D. and Parker , S. C. 1984 . Computer simulations of the structural and physical properties of the olivine and spinel polymorphs of Mg2SiO4 . Phys. Chem. Minerals , 10 : 209 For example
  • Mishima , O. , Calvert , L. D. and Whalley , E. 1984 . ‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solids. . Nature , 310 : 393
  • Hemley , R. J. “ Pressure dependence of Raman spectra of SiO2 polymorphs: α-quartz, coesite, and stishovite ” . In High Pressure Research in Mineral Physics Edited by: Manghnani , M. H. and Syono , Y. 347 (American Geophysical Union, Washington D.C., 1987), Geophysical Monograph 39
  • Hemley , R. J. , Jephcoat , A. P. , Mao , H. K. , Ming , L. C. and Manghnani , M. H. 1988 . Pressure-induced amorphization of crystalline silica. . Nature , 334 : 52
  • Williams , Q. and Jeanloz , R. 1988 . Spectroscopic evidence for pressure-induced coordination changes in silicate glasses and melts. . Science , 239 : 902
  • Stolper , E. M. and Ahrens , T. J. 1987 . On the nature of pressure-induced coordination changes in silicate melts and glasses. . Geophys. Res. Lett. , 14 : 1231
  • Tsuneyuki , S. , Matsui , Y. , Aoki , H. and Tsukada , M. 1989 . New pressure-induced structural transformations in silica obtained by computer simulation. . Nature , 339 : 209
  • Lasaga , A. C. and Gibbs , G. V. 1987 . Applications of quantum mechanical potential surfaces to mineral physics calculations. . Phys. Chem. Minerals , 14 : 107
  • Stixrude , L. and Bukowinski , M. S.T. 1988 . Simple covalent potential models of tetrahedral SiO2: applications to α-quartz and coesite at pressure. . Phys. Chem. Mineral , 16 : 199
  • Sanders , M. J. , Leslie , M. and Catlow , C. R.A. 1984 . Interatomic potentials for SiO2 . J. Chem. Soc., Chem. Commun. , : 1271
  • Holm , J. L. , Kleppa , D. J. and Westrum , E. F. Jr. 1967 . Thermodynamics of polymorphic tansformations in silica. . Geochim. Cosmochim. Acta , 31 : 2289
  • Wise , S. S. , Margrave , J. L. , Feder , H. M. and Hubbard , W. N. 1962 . The heat of formation of silica and silicon tetrafluoride. . J. Phys. Chem. , 66 : 381
  • Levien , L. , Prewitt , C. T. and Weidner , D. J. 1980 . Structure and elastic properties of quartz at pressure . Am Mineral. , 65 : 920
  • Peacor , D. R. 1973 . High-temperature single-crystal study of the cristobalite inversion. . Z. Kristallogr. , 138 : 274
  • Tsuchida , Y. and Yagi , T. 1989 . New high pressure polymorphs of silica Technical Report of ISSP, Ser. A, No. 2099: Y. Tsuchida and T. Yagi, submitted
  • Levien , L. and Prewitt , C. T. 1981 . High-pressure crystal structure and compressibility of coesite. . Am. Mineral. , 66 : 324
  • Hill , R. J. , Newton , M. D. and Gibbs , G. V. 1983 . A crystal chemical study of stishovite. . J. Solid State Chem. , 47 : 185
  • Sato , Y. 1977 . “ Equation of state of mantle minerals determined through high-pressure X-ray study ” . In High-Pressure Research, Applications in Geophysics , Edited by: Manghnani , M. H. and Akimoto , S. 307 – 323 . New York : Academic Press . (Cornell Univ. Press, Ithaca, New York, 1960)
  • Pauling , L. The Nature of the Chemical Bond , 3rd ed.
  • Parrinello , M. and Rahman , A. 1980 . Polymorphic transition in single crystals: a new molecular dynamics method. . J. Appl. Phys. , 52 : 7182
  • Nosé , S. 1984 . A univied formulation of the constant temperature molecular dynamics methods. . J. Chem. Phys. , 81 : 511
  • Matsui , Y. and Kawamura , K. 1987 . “ Computer-experimental synthesis of silica with the α-PbO2 structure. ” . In High Pressure Research in Mineral Physics , Edited by: Manghnani , M. H. and Syono , Y. 305 Washington, D.C. : American Geophysical Union . Geophysical Monograph 39
  • Tsuchida , Y. and Yagi , T. 1989 . A new, post-stishovite high-pressure polymorph of silica. . Nature , 340 : 217
  • Park , K. T. , Terakura , K. and Matsui , Y. 1988 . Theoretical evidence for a new ultra-high-pressure phase of SiO2 . Nature , 336 : 670
  • Tsuneyuki , S. , Aoki , H. and Matsui , Y. to be submitted

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