Quick Search:    advanced search

GSW Home   GeoRef Home   My GSW Alerts   Contact GSW   About GSW   Journals List   Help

This Article Figures Only Full Text Full Text (PDF) Alert me when this article is cited Alert me if a correction is posted Citation Map Services Email this article to a friend Similar articles in this journal Alert me to new issues of the journal Download to citation manager Citing Articles Citing Articles via HighWire Citing Articles via Google Scholar Google Scholar Articles by Dove, M. T. Articles by Keen, D. A. Search for Related Content GeoRef GeoRef Citation

Phase transitions in tridymite studied using ‘Rigid Unit Mode’ theory, Reverse Monte Carlo methods and molecular dynamics simulations

¹ Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK
² ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, UK

^* E-mail: martin{at}esc.cam.ac.uk

The phase transitions in tridymite and the nature of the high-temperature phase are investigated using a combination of Rigid Unit Mode theory, neutron total scattering measurements analysed using the Reverse Monte Carlo method, and molecular dynamics simulations. The unusually large number of phase transitions in tridymite can be explained within the Rigid Unit Mode theory. The Rigid Unit Mode theory also gives an interpretation of the disordered high-temperature phase as revealed by the neutron scattering data and the molecular dynamics simulations. There is a close correspondence between the structure of the disordered high-temperature phase of tridymite and that of ß-cristobalite.

KEYWORDS: tridymite, phase transitions, molecular dynamics, neutron total scattering, reverse Monte Carlo

This article has been cited by other articles:

				U. Rodehorst, U. Rodehorst, M. A. Carpenter, S. Marion, and C. M. B. Henderson Structural phase transitions and mixing behaviour of the Ba-aluminate (BaAl2O4)-Sr-aluminate (SrAl2O4) solid solution Mineralogical Magazine, October 1, 2003; 67(5): 989 - 1013. [Abstract] [Full Text] [PDF]

				S. A.T. REDFERN Neutron powder diffraction of minerals at high pressures and temperatures: some recent technical developments and scientific applications European Journal of Mineralogy, April 1, 2002; 14(2): 251 - 261. [Abstract] [Full Text] [PDF]

				M. T. DOVE, M. G. TUCKER, and D. A. KEEN Neutron total scattering method: simultaneous determination of long-range and short-range order in disordered materials European Journal of Mineralogy, April 1, 2002; 14(2): 331 - 348. [Abstract] [Full Text] [PDF]

				M. G. Tucker, D. A. Keen, and M. T. Dove A detailed structural characterization of quartz on heating through the {alpha}-{beta} phase transition Mineralogical Magazine, August 1, 2001; 65(4): 489 - 507. [Abstract] [Full Text] [PDF]

				M. T. Dove, K. D. Hammonds, M. J. Harris, V. Heine, D. A. Keen, A. K. A. Pryde, K. Trachenko, and M. C. Warren Amorphous silica from the Rigid Unit Mode approach Mineralogical Magazine, June 1, 2000; 64(3): 377 - 388. [Abstract] [Full Text] [PDF]

				S. A. T. Redfern Mineral transformations Mineralogical Magazine, April 1, 2000; 64(2): 155 - 156. [Full Text] [PDF]