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JOURNAL ARTICLE
RESEARCH SUPPORT, NON-U.S. GOV'T
RESEARCH SUPPORT, U.S. GOV'T, NON-P.H.S.
Pressure induced elastic softening in framework aluminosilicate- albite (NaAlSi 3 O 8 ).
Scientific Reports 2016 October 14
Albite (NaAlSi3 O8 ) is an aluminosilicate mineral. Its crystal structure consists of 3-D framework of Al and Si tetrahedral units. We have used Density Functional Theory to investigate the high-pressure behavior of the crystal structure and how it affects the elasticity of albite. Our results indicate elastic softening between 6-8 GPa. This is observed in all the individual elastic stiffness components. Our analysis indicates that the softening is due to the response of the three-dimensional tetrahedral framework, in particular by the pressure dependent changes in the tetrahedral tilts. At pressure <6 GPa, the PAW-GGA can be described by a Birch-Murnaghan equation of state with = 687.4 Å3 , = 51.7 GPa, and = 4.7. The shear modulus and its pressure derivative are = 33.7 GPa, and = 2.9. At 1 bar, the azimuthal compressional and shear wave anisotropy = 42.8%, and = 50.1%. We also investigate the densification of albite to a mixture of jadeite and quartz. The transformation is likely to cause a discontinuity in density, compressional, and shear wave velocity across the crust and mantle. This could partially account for the Mohorovicic discontinuity in thickened continental crustal regions.
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