A new high-pressure silica phase obtained by molecular dynamics

American Mineralogist

Volumn 81, Issue 5-6, 1996, Pages 785-788

  Belonoshko, Anatoly B ^a   Dubrovinsky, Leonid S ^a   Dubrovinsky, Natalya A ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS;

AB INITIO; HIGH-PRESSURE EXPERIMENT; INTERATOMIC POTENTIAL; LOWERMOST MANTLE; NEW HIGH; POTENTIALLY STABLE; SEISMIC DISCONTINUITIES;

SILICA;

EID: 0001521027     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (28)

1. Altshuler, L.V., and Podurec, M.A. (1973) High-dense fluorite and rutile polymorphs. Solid State Physics, 15, 1436-1441 (in Russian).
2. Belonoshko, A.B., and Dubrovinsky, L.S. (1995) Molecular dynamics of stishovite melting. Geochimica et Cosmochimica Acta, 59, 1883-1889.
3. 2. Journal of Geophysical Research, 91, 4704-4710.
4. 2 and geophysical implications. In Y. Syono and M.H. Manghnani, Eds., High-pressure research: Application to earth and planetary sciences, p. 425-432, Terra Scientific, Tokyo, Japan.
5. Dubrovinsky, L.S., Belonoshko, A.B., Dubrovinsky, N.A., and Saxena, S.K. (1996) New high-pressure silica phases obtained by computer lattice dynamics simulation. In W. Trezeciakowski, Ed., High pressure science and technology. World Scientific, Warsaw, Poland, in press.
6. Dziewonski, A.M., and Anderson, D.L. (1981) Preliminary reference Earth model. Physics of the Earth and Planetary Interiors, 25, 297-356.
7. Goarant, F., Guyot, F., Peyronneau, J., and Poirier, J.-P. (1992) High-pressure and high-temperature reactions between silicates and liquid iron alloys, in the diamond anvil cell, studied by analytical electron microscopy. Journal of Geophysical Research, 97, 4477-4488.
8. 2 polymorphs: α-quartz, coesite, and stishovite. In Y. Syono and M.H. Manghnani, Eds., High-pressure research in mineral physics, p. 347-359, Terra Scientific, Tokyo, Japan.
9. Hemley, R.J., Kingma, K.J., Mao, H.K., Hu, J., and Shu, J. (1995) Compression of silica to multimegabar pressures. Abstracts, Joint XV AIRAPT and XXXIII EHPRG International Conference, September 11-15, Warsaw, Poland.
10. 3 perovskite at lower mantle pressures. Eos, Fall Meeting abstract supplement, 605.
11. Kingma, K.J., Cohen, R.E., Hemley, R.J., and Mao, H.K. (1995) Transformation of stishovite to a denser phase at lower-mantle pressures. Nature, 374, 243-245.
12. Knittle, E., and Jeanloz, R. (1989) Simulating the core-mantle boundary: An experimental study of high-pressure reactions between silicates and liquid iron. Geophysical Research Letters, 16, 609-612.
13. Lacks, D.J., and Gordon, R.G. (1993) Calculations of pressure-induced phase transitions in silica. Journal of Geophysical Research, 98, 22147-22155.
14. Liu, L. (1982) High-pressure phase transformations of the dioxides: Implications for structures of high pressure. In M.H. Manghnani and S. Akimoto, Eds., High pressure research in geophysics, p. 329-347. Center of Academic Publications, Japan.
15. Ming, L.S., and Manghnani, M.N. (1982) High-pressure phase transformations in rutile-structured dioxides. In M.H. Manghnani and S. Akimoto, Eds., High pressure research in geophysics, p. 348-357. Center of Academic Publications, Japan.
16. 2. Nature, 336, 670-672.
17. Parrinello, M., and Rahman, A. (1981) Polymorphic transitions in single crystals: A new molecular dynamics method. Journal of Applied Physics, 52, 7182-7190.
18. Ross, N.L., Shu, J.-F., Hazen, R.M., and Gasparik, T. (1990) High-pressure crystal chemistry of stishovite, American Mineralogist, 75, 739-747.
19. 2. Science, 251, 786-788.
20. 2 from shocked quartz. Geochimica et Cosmochimica Acta, 51, 379-381.
21. 2): Ab initio (periodic Hartree-Fock) results. Journal of Geophysical Research, 98, 11865-11873.
22. Simakov, T. (1973) New data on compressibility of oxides and fluorides and the theory of homogeneous Earth's composition. Transactions of USSR Academy of Sciences, 310, 1447-1449.
23. 2 at high pressure and high temperature. In S. Schmidt, J.W. Shaner, G.A. Samara, and M. Ross, Eds., High-pressure science and technology, part 1, p. 367-370. Terra Scientific, Tokyo, Japan.
24. Tse, J.S., Klug, D.D., and Page, Y.L. (1992) Novel high-pressure phase of silica. Physical Review Letters, 69, 3647-3649.
25. Tsuchida, Y., and Yagi, T. (1989) A new, post-stishovite high-pressure polymorph of silica. Nature, 340, 217-220.
26. Tsuneyuki, S., Tsukada, M., Aoki, H., and Matsui, Y. (1988) First-principles interatomic potential of silica applied to molecular dynamics. Physical Review Letters, 61, 869-872.
27. Weber, M., and Davis, J.P. (1990) Evidence of a laterally variable lower mantle structure from P- and S-waves. Geophysics Journal International, 102, 231-255.
28. Wright, C., Muirhead, R.J., and Dixon, A.E. (1985) The P wave velocity structure near the base of the mantle. Journal of Geophysical Research, 90, 623-634.