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Thermo-elastic behavior of grossular garnet at high pressures and temperatures

  • Sula Milani EMAIL logo , Ross J. Angel , Lorenzo Scandolo , Mattia L. Mazzucchelli , Tiziana Boffa Ballaran , Stephan Klemme , Maria C. Domeneghetti , Ronald Miletich , Katharina S. Scheidl , Mariana Derzsi , Kamil Tokár , Mauro Prencipe , Matteo Alvaro and Fabrizio Nestola
Published/Copyright: April 3, 2017
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American Mineralogist
From the journal American Mineralogist Volume 102 Issue 4

Abstract

The thermo-elastic behavior of synthetic single crystals of grossular garnet (Ca3Al2Si3O12) has been studied in situ as a function of pressure and temperature separately. The same data collection protocol has been adopted to collect both the pressure-volume (P-V) and temperature-volume (T-V) data sets to make the measurements consistent with one another. The consistency between the two data sets allows simultaneous fitting to a single pressure-volume-temperature Equation of State (EoS), which was performed with a new fitting utility implemented in the latest version of the program EoSFit7c. The new utility performs fully weighted simultaneous fits of the P-V-T and P-K-T data using a thermal pressure EoS combined with any P-V EoS. Simultaneous refinement of our P-V-T data combined with that of KT as a function of T allowed us to produce a single P-V-T-KT equation of state with the following coefficients:

V0=1664.46(5)A˚3,KTO=166.57(17)GPa andK′=4.96(7)α(300K,1bar)=2.09(2)×10−5K−1

with a refined Einstein temperature (θE) of 512 K for a Holland-Powell-type thermal pressure model and a Tait third-order EoS. Additionally, thermodynamic properties of grossular have been calculated for the first time from crystal Helmholtz and Gibbs energies, including the contribution from phonons, using density functional theory within the framework of the quasi-harmonic approximation.

Keywords: Grossular; high-pressure; high-temperature; diffraction; bulk modulus; P-V-T-K fit; EosFit

Acknowledgments

This work has been supported by the ERC Starting Grant (no. 307322) to F. Nestola. M.A. has been supported by the SIR-MIUR grant MILE DEEp (no. RBSI140351) to M. Alvaro. M.D. acknowledges computational grant G62-24 at Interdisciplinary Centre for Mathematical and Computational Modeling (ICM) of the University of Warsaw. R.M. and K.S.S. acknowledge support through grant BE532003 of the University of Vienna. We thank Tom Duffy (Princeton) for advice and discussions. We also thank R. Carampin (IGGCNR, Padova) for help with the electron microprobe analyses. We thank Andrea D’Alpaos and Mario Putti (University of Padova) for advice on least-squares minimization. We thank two anonymous reviewers for helpful comments.

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Received: 2016-5-16
Accepted: 2016-11-21
Published Online: 2017-4-3
Published in Print: 2017-4-1

© 2017 by Walter de Gruyter Berlin/Boston

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https://doi.org/10.2138/am-2017-5855
Keywords for this article
Grossular; high-pressure; high-temperature; diffraction; bulk modulus; P-V-T-K fit; EosFit

Articles in the same Issue

  1. Review: Minerals in the Human Body
  2. Mineral precipitation and dissolution in the kidney
  3. Special Collection: Nanominerals and Mineral Nanoparticles
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  5. Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
  6. Column anion arrangements in chemically zoned ternary chlorapatite and fluorapatite from Kurokura, Japan
  7. Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
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  9. Special Collection: Apatite: A Common Mineral, Uncommonly Versatile
  10. Barometric constraints based on apatite inclusions in garnet
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  12. A comparison of olivine-melt thermometers based on DMg and DNi: The effects of melt composition, temperature, and pressure with applications to MORBs and hydrous arc basalts
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  24. Iron partitioning in natural lower-mantle minerals: Toward a chemically heterogeneous lower mantle
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  32. Experimental constraints on the stability of baddeleyite and zircon in carbonate- and silicate-carbonate melts
  34. Polarized FTIR spectroscopic examination on hydroxylation in the minerals of the wolframite group, (Fe,Mn,Mg)[W,(Nb,Ta)][O,(OH)]4
  36. Tourmaline-rich features in the Heemskirk and Pieman Heads granites from western Tasmania, Australia: Characteristics, origins, and implications for tin mineralization
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