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

Sula Milani, Ross J. Angel, Lorenzo Scandolo, Mattia L. Mazzucchelli, Tiziana Boffa Ballaran, Stephan Klemme, Maria C. Domeneghetti, Ronald Miletich, Katharina S. Scheidl, Mariana Derzsi, Kamil Tokar, Mauro Prencipe, Matteo Alvaro and Fabrizio Nestola
Thermo-elastic behavior of grossular garnet at high pressures and temperatures
American Mineralogist (April 2017) 102 (4): 851-859


The thermo-elastic behavior of synthetic single crystals of grossular garnet (Ca (sub 3) Al (sub 2) Si (sub 3) O (sub 12) ) 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 K (super T) as a function of T allowed us to produce a single P-V-T-K (super T) equation of state with the following coefficients: V (sub 0) =1664.46(5) degrees A (super 3) , K (sub T0) =166.57(17) GPa and K'=4.96(7)alpha (sub (300K,1bar)) =2.09(2)X10 (super -5) K (super -1) with a refined Einstein temperature (theta (sub E) ) 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.

ISSN: 0003-004X
EISSN: 1945-3027
Serial Title: American Mineralogist
Serial Volume: 102
Serial Issue: 4
Title: Thermo-elastic behavior of grossular garnet at high pressures and temperatures
Affiliation: University of Padova, Department of Geosciences, Padua, Italy
Pages: 851-859
Published: 201704
Text Language: English
Publisher: Mineralogical Society of America, Washington, DC, United States
References: 57
Accession Number: 2017-041517
Categories: Geophysics of minerals and rocks
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 4 tables
Secondary Affiliation: University of Pavia, ITA, ItalyUniversitaet Bayreuth, DEU, GermanyWestfaelische Wilhelms-Universitaet Muenster, DEU, GermanyUniversitaet Wien, AUT, AustriaUniversity of Warsaw, POL, PolandSlovak Academy of Sciences, Institute of Physics, SVK, SlovakiaUniversity of Turin, ITA, Italy
Country of Publication: United States
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Abstract, copyright, Mineralogical Society of America. Reference includes data from GeoScienceWorld, Alexandria, VA, United States
Update Code: 201723
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