High pressure shear moduli - A many body model for oxides

Details High pressure shear moduli - A many body model for oxides High pressure shear moduli - A many body model for oxides

Mar 1988

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1988georl..15..209a&link_type=abstract

Geophysical Research Letters (ISSN 0094-8276), vol. 15, March 1988, p. 209-212.

Physics

7

Alkaline Earth Oxides, Crystal Structure, Many Body Problem, Planetary Geology, Reaction Kinetics, Planetary Cores, Pressure Distribution

Scientific paper

A parametric many-body potential which provides accurate predictions of high pressure properties of alkali-earth oxides is presented. The ionic deformational energy and repulsive potential that are sensitive to the crystal environment are incorporated by an explicit dependence of the oxygen radius on the crystal potential. Equation of state and zero pressure elastic constants of the B1 (NaCl) phases are used to constrain the model parameters. Accurate B1-B2 transition pressures and densities of the B2 (CsCl) phases are obtained with the model.

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