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Akber-Knutson et al. 2005
Akber-Knutson, S., Steinle-Neumann, G. and Asimow, P.D. (2005). Effect of Al on the sharpness of the MgSiO3 perovskite to post-perovskite phase transition. Geophysical Research Letters 32: doi: 10.1029/2005GL023192. issn: 0094-8276.

By means of static ab-initio computations we investigate the influence of Al on the recently discovered perovskite to post-perovskite phase transition in MgSiO3. We examine three substitution mechanisms for Al in the two structures: MgSi → AlAl; SiSiO → AlAl□; and Si → AlH. The substitutions introducing oxygen vacancies (highly unfavorable, energetically) and water (favorable) both lower the 0 Kelvin transition pressure, whereas charge coupled substitution increases it relative to 105 GPa for pure MgSiO3. From the transition pressures for 0, 6.25, and 100 mol% charge coupled Al2O3 incorporation and simple solution theories, we estimate the phase diagram of Al-bearing MgSiO3 at low Al concentrations. Assuming the Clapeyron slope is independent of Al concentration, we find the perovskite-to-post-perovskite transition region to span 127--140 GPa, at 6.25 mol% Al2O3. When the upper pressure limit is bounded by the core-mantle boundary, the phase coexistence region has width 150 km.

BACKGROUND DATA FILES

Abstract

Keywords
Mineralogy and Petrology, Reactions and phase equilibria (1012, 8412), Mineral Physics, Mineral Physics, High-pressure behavior, Mineral Physics, Equations of state
Journal
Geophysical Research Letters
http://www.agu.org/journals/gl/
Publisher
American Geophysical Union
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