Walker, AM (2012) The effect of pressure on the elastic properties and seismic anisotropy of diopside and jadeite from atomic scale simulation. Physics of the Earth and Planetary Interiors, 192-19. 81 - 89. ISSN 0031-9201
Abstract
The full elastic constants tensors of diopside (CaMgSi2O6) and jadeite (NaAlSi2O6) have been calculated using a planewave and pseudopotentials based implementation of density functional theory within the generalised gradient approximation at pressures between 0 and 20 GPa. Both minerals stiffen over this pressure range with the isotropic average bulk moduli increasing by ~50% and the shear moduli by ~20%. However, in detail the behaviour of the individual elastic constants varies and this drives changes in the anisotropy.Overall, and in contrast to predictions based on the extrapolation of calculations based on inter-atomic potential models, the elastic anisotropy of diopside decreases with increasing pressure. The elastic anisotropy of jadeite increases slightly at low pressure, exhibits a maximum at around 10 GPa and then begins to slowly decrease. Despite the small changes in the total and maximum anisotropy, the shear-wave anisotropy for certain propagation directions vary dramatically with pressure. For example, the anisotropy experienced by a shear-wave propagating in the [010] direction in diopside doubles between 5 and 15 GPa.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | (c) 2012, Elsevier Ltd. This is an author produced version of a paper published in Physics of the Earth and Planetary Interiors. Uploaded in accordance with the publisher's self-archiving policy |
Keywords: | Elasticity; clinopyroxene; shear-wave splitting; density functional theory |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Environment (Leeds) > School of Earth and Environment (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 20 Feb 2014 11:48 |
Last Modified: | 05 Nov 2017 22:29 |
Published Version: | http://dx.doi.org/10.1016/j.pepi.2011.10.002 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.pepi.2011.10.002 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:77812 |