Pressure induced elastic softening in framework aluminosilicate- albite (NaAlSi3O8)

Mookherjee, Mainak; Mainprice, David; Maheshwari, Ketan; Heinonen, Olle; Patel, Dhenu; Hariharan, Anant

doi:10.1038/srep34815

Pressure induced elastic softening in framework aluminosilicate- albite (NaAlSi₃O₈)

Journal Article · Thu Oct 13 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep34815· OSTI ID:1344523

Mookherjee, Mainak ^[1]; Mainprice, David ^[2]; Maheshwari, Ketan ^[3]; Heinonen, Olle ^[4]; Patel, Dhenu ^[1]; Hariharan, Anant ^[5]

Florida State Univ., Tallahassee, FL (United States)
Univ. Montpellier, Montpellier (France)
Univ. of Pittsburgh, Pittsburgh, PA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Cornell Univ., Ithaca, NY (United States)

Albite (NaAlSi₃O₈) 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 V^GGA₀ = 687.4Å³, K^GGA₀ = 51.7 GPa, and G^GGA₀ = 4.7. The shear modulus and its pressure derivative are K^⊕GGA₀ = 33.7 GPa, and G^⊕GGA₀ = 2.9. At 1 bar, the azimuthal compressional and shear wave anisotropy AV^GGA_P = 42.8%, and AV^GGA_S = 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. Furthermore, this could partially account for the Mohorovicic discontinuity in thickened continental crustal regions.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science; National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1344523

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Seismic properties and anisotropy of the continental crust: Predictions based on mineral texture and rock microstructure: SEISMIC PROPERTIES OF THE CRUST Almqvist, Bjarne S. G.; Mainprice, David Reviews of Geophysics, Vol. 55, Issue 2 https://doi.org/10.1002/2016rg000552	journal	May 2017
Unconventional high-pressure Raman spectroscopy study of kinetic and peak pressure effects in plagioclase feldspars Sims, Melissa; Jaret, Steven J.; Johnson, Jeffrey R. Physics and Chemistry of Minerals, Vol. 47, Issue 2 https://doi.org/10.1007/s00269-020-01080-z	journal	January 2020
Polymorphism of feldspars above 10 GPa Pakhomova, Anna; Simonova, Dariia; Koemets, Iuliia Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16547-4	journal	June 2020
High pressure phase transitions of paracelsian BaAl2Si2O8 Gorelova, Liudmila A.; Pakhomova, Anna S.; Krivovichev, Sergey V. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-49112-1	journal	September 2019
High pressure phase transitions of paracelsian $BaAl_{2}Si_{2}O_{8}$ Gorelova, Liudmila A.; Pakhomova, Anna S.; Krivovichev, Sergey V. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-05451	text	January 2019
Polymorphism of feldspars above 10 GPa Pakhomova, Anna; Simonova, Daria; Koemets, Iuliia Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2020-02171	text	January 2020

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Related Subjects

58 GEOSCIENCES
albite
density functional theory
earth’s crust
elasticity
electronic structure
high-pressure
mineralogy