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Ab initio calculations of elastic constants of plagioclase feldspars

  • Pamela Kaercher EMAIL logo , Burkhard Militzer and Hans-Rudolf Wenk
Published/Copyright: November 12, 2014
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American Mineralogist
From the journal American Mineralogist Volume 99 Issue 11-12

Abstract

Plagioclase feldspars comprise a large portion of the Earth’s crust and are very anisotropic, making accurate knowledge of their elastic properties important for understanding the crust’s anisotropic seismic signature. However, except for albite, existing elastic constants for plagioclase feldspars are derived from measurements that cannot resolve the triclinic symmetry. We calculate elastic constants for plagioclase end-members albite NaAlSi3O8 and anorthite CaAl2Si2O8 and intermediate andesine/ labradorite NaCaAl3Si5O16 using density functional theory to compare with and improve existing elastic constants and to study trends in elasticity with changing composition. We obtain elastic constants similar to measured elastic constants and find that anisotropy decreases with anorthite content.

Keywords : Plagioclase feldspars; elastic constants; ab initio calculations; seismic anisotropy
Received: 2013-11-5
Accepted: 2014-6-4
Published Online: 2014-11-12
Published in Print: 2014-11-1

© 2014 by Walter de Gruyter Berlin/Boston

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https://doi.org/10.2138/am-2014-4796
Keywords for this article
Plagioclase feldspars; elastic constants; ab initio calculations; seismic anisotropy

Articles in the same Issue

  1. Highlights and Breakthroughs Merrillite and apatite as recorders of planetary magmatic processes
  2. Highlights and Breakthroughs Comparing clays from Mars and Earth: Implications for martian habitability
  3. Data-driven abductive discovery in mineralogy
  4. Thermal expansion of fluorapatite-hydroxylapatite crystalline solutions
  5. Synthesis and structure of carbonated barium and lead fluorapatites: Effect of cation size on A-type carbonate substitution
  6. Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data
  7. Si-magnetite nano-precipitates in silician magnetite from banded iron formation: Z-contrast imaging and ab initio study
  8. Ordering kinetics in synthetic Mg(Al,Fe3+)2O4 spinels: Quantitative elucidation of the whole Al-Mg-Fe partitioning, rate constants, activation energies
  9. Experimental study of phlogopite reaction rim formation on olivine in phonolite melts: Kinetics, reaction rates, and residence times
  10. Etch-pit size, dissolution rate, and time in the experimental dissolution of olivine: Implications for estimating olivine lifetime at the surface of Mars
  11. Ferrian saponite from the Santa Monica Mountains (California, U.S.A., Earth): Characterization as an analog for clay minerals on Mars with application to Yellowknife Bay in Gale Crater
  12. A large spectral survey of small lunar craters: Implications for the composition of the lunar mantle
  13. In-situ characterization of oxalic acid breakdown at elevated P and T: Implications for organic C-O-H fluid sources in petrologic experiments
  14. Slawsonite-celsian-hyalophane assemblage from a picrite sill (Prague Basin, Czech Republic)
  15. Determining hematite content from NUV/Vis/NIR spectra: Limits of detection
  16. The role of water in generation of group II kimberlite magmas: Constraints from multiple saturation experiments
  17. Quantum mechanical modeling of hydrolysis and H2O-exchange in Mg-, Ca-, and Nisilicate clusters: Implications for dissolution mechanisms of olivine minerals
  18. Redox-driven exsolution of iron-titanium oxides in magnetite in Miller Range (MIL) 03346 nakhlite: Evidence for post crystallization oxidation in the nakhlite cumulate pile?
  19. Energetics of lanthanide-doped calcium phosphate apatite
  20. Thermal conductivity of molten and glassy NaAlSi3O8, CaMgSi2O6, and Mg2SiO4 by non-equilibrium molecular dynamics at elevated temperature and pressure
  21. Energetics of heterometal substitution in ε-Keggin [MO4Al12(OH)24(OH2)12]6/7/8+ ions
  22. Ab initio calculations of elastic constants of plagioclase feldspars
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  24. Natural sepiolite: Enthalpies of dehydration, dehydroxylation, and formation derived from thermochemical studies
  25. A new interpretation of decomposition products of serpentine under shock compression
  26. model for calculating the viscosity of natural iron-bearing silicate melts over a wide range of temperatures, pressures, oxygen fugacites, and compositions
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  28. Characterization of porosity in sulfide ore minerals: A USANS/SANS study
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  30. High-pressure elasticity of sodium majorite garnet, Na2MgSi5O12
  31. Armstrongite from Khan Bogdo (Mongolia): Crystal structure determination and implications for zeolite-like cation exchange properties
  32. Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the Khatyrka CV3 carbonaceous chondrite
  33. New Mineral Names
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