Physics
Scientific paper
Oct 2006
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2006georl..3320317p&link_type=abstract
Geophysical Research Letters, Volume 33, Issue 20, CiteID L20317
Physics
2
Geochemistry: Mineral And Crystal Chemistry (3620), Mineral Physics: Elasticity And Anelasticity, Mineral Physics: Equations Of State, Mineral Physics: Physical Thermodynamics, Tectonophysics: Earth'S Interior: Composition And State (1212, 7207, 7208, 8105)
Scientific paper
First-principles calculations of the structure, energetics, compressibility, and elastic constants of aluminous stishovite reveal that the dissolution of aluminum in stishovite can accommodate a significant population of both oxygen vacancies and hydrogen defects. The results show that the incorporation of aluminum in stishovite account for a 1.2(+/-0.1)% decrease in K0 per mole percent dissolved aluminum, independent of dissolution mechanism (hydrous or anhydrous). Elastic constants, calculated to be in agreement with experimentally-derived values, indicate that the rutile to CaCl2 transition is likely to be unaffected by the dissolution of small amounts of aluminum and/or hydrogen. As a result, the dissolution of aluminum into stishovite in a subducting basaltic layer will have no more than a 0.2% effect on the density of that layer as it enters the lower mantle.
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