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High temperature elastic anisotropy of the perovskite and post‐perovskite polymorphs of Al 2 O 3

2005; American Geophysical Union; Volume: 32; Issue: 13 Linguagem: Inglês

10.1029/2005gl023163

1944-8007

Stephen Stackhouse, John P. Brodholt, G. D. Price,

Crystal Structures and Properties

Finite temperature ab initio molecular dynamics calculations were performed to determine the high temperature elastic and seismic properties of the perovskite and post‐perovskite phases of pure end‐member Al 2 O 3 . The post‐perovskite phase exhibits very large degrees of shear‐wave splitting. The incorporation of a few mole percent of Al 2 O 3 into MgSiO 3 is predicted to have little effect on the perovskite to post‐perovskite phase transition pressure and seismic properties of the post‐perovskite phase; although a small difference in shear‐wave splitting may be observable.