Pressure-volume-temperature equation of state of andradite and grossular, by high-pressure and -temperature powder diffraction

Pavese, Alessandro; Diella, Valeria; Pischedda, V.; Merli, Marcello; Bocchio, Rosangela; Mézouar, M.

doi:10.1007/s002690000144

Cited by 39 publications

(32 citation statements)

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“…In addition, Olijnyk et al (1991) showed the pressure dependence of the bulk modulus to be higher than 6. In contrast, Pavese et al (2001) showed a low value for the pressure dependence of the bulk modulus (less than 4) from PVT measurements in the Paris-Edinburgh cell. Furthermore, an Ab initio calculation study showed pressure dependence of bulk modulus of 4.3 (Nobes et al, 2000).…”

Section: Introductioncontrasting

confidence: 46%

“…We compared the pressure-volume data obtained in several previous studies (Pavese et al, 2001;Zhang et al, 1999;Olijnyk et al, 1991;Weaver et al, 1976). We estimated isothermal bulk modulus (K T0 ) and its pressure derivative (K T0 ') from K S and ∂K S /∂P with the following equations…”

Section: Resultsmentioning

confidence: 99%

“…The K T0 is similar to that of previous studies (e.g., K T0 =170(4), Zhang et al, 1999; K T0 =168.2(17), Pavese et al, 2001), although the K T0 ' value differs from those of Zhang et al (1999) and Pavese et al (2001). Then pressure was determined from the third-order Birch-Murnaghan equation-of-state (e.g., Birch, 1952) P…”

Section: Adiabatic Bulk (K S ) and Shear (G) Modulus Of Grossular At mentioning

confidence: 93%

“…However, the pressure and temperature dependences of the elastic properties of grossular remains controversial. In particular, the pressure dependence of the bulk modulus has been investigated in a number of studies (Pavese et al, 2001;Conrad et al, 1999;Zhang et al, 1999), but the results conflict with each other. Conrad et al (1999) and Zhang et al (1999) suggested that the pressure dependence of the bulk modulus is higher than 5 from Brillouin scattering and PVT measurements, respectively, in the diamond anvil cell.…”

Section: Introductionmentioning

confidence: 91%

“…Since calcium is one of the most abundant elements in the upper mantle, some studies have investigated the pressure and temperature dependences of the elastic properties of grossular garnets (e.g., Pavese et al, 2001;Conrad et al, 1999;Zhang et al, 1999;Isaak et al, 1992). However, the pressure and temperature dependences of the elastic properties of grossular remains controversial.…”

Section: Introductionmentioning

confidence: 98%

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Pressure and temperature dependences of elastic properties of grossular garnet up to 17 GPa and 1 650 K

et al. 2010

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Simultaneous ultrasonic elastic wave velocity and in situ synchrotron X-ray measurements on grossular garnet were carried out up to 17 GPa and 1 650 K. P-and S-wave velocities and bulk and shear modulus showed linear pressure and temperature dependence. These data yielded a pressure derivative of the bulk modulus of 4.42(7) and a shear modulus of 1.27(3), which are in good agreement with those of garnets with variable chemical compositions. Temperature dependence of the bulk modulus of grossular (-1.36×10 -2 GPa/K) is also similar to that of other garnets, while the temperature dependence of the shear modulus of grossular (-1.11×10 -2 GPa/K) is higher than those of magnesium end-member garnets and pyrolitic garnet.

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Section: Introductioncontrasting

confidence: 46%

Section: Resultsmentioning

confidence: 99%

Section: Adiabatic Bulk (K S ) and Shear (G) Modulus Of Grossular At mentioning

confidence: 93%

Section: Introductionmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 98%

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Pressure and temperature dependences of elastic properties of grossular garnet up to 17 GPa and 1 650 K

et al. 2010

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Isosymmetric pressure‐induced bonding increase changes compression behavior of clinopyroxenes across jadeite‐aegirine solid solution in subduction zones

Zhang

Fan

et al. 2017

JGR Solid Earth

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Pyroxenes are among the most important minerals of Earth's crust and upper mantle and play significant role in controlling subduction at convergent margins. In this study, synchrotron‐based single‐crystal X‐ray diffraction experiments were carried out on a natural aegirine [NaFe3+Si2O6] sample at ambient temperature and high pressures to 60 GPa, simulating conditions within the coldest part of a subduction zone consisting of old lithosphere. The diffraction data reveal no obvious sign of structural phase transition in aegirine within this pressure range; however, several relevant structural parameter trends change noticeably at approximately 24 GPa, indicating the presence of the previously predicted isosymmetric bonding change, related to increase of coordination number of Na+ at M2 site. The pressure‐volume data, fit with third‐order Birch‐Murnaghan (BM3) equation of state over the whole pressure range, yields KT0 = 126(2) GPa and K′T0 = 3.3(1), while separate BM3 fits performed for the 0–24.0 GPa and 29.9–60.4 GPa pressure ranges give KT0 = 118(3) GPa, K′T0 = 4.2(3) and KT0 = 133(2) GPa, K′T0 = 3.0(1), suggesting that the structure stiffens as a result of the new bond formation. Aegirine exhibits strong anisotropic compression with unit strain axial ratios ε1:ε2:ε3 = 1.00:2.44:1.64. Structural refinements reveal that NaO8 polyhedron is the most compressible and SiO4 tetrahedron has the lowest compressibility. The consequence of bonding transition is that the compressional behavior of aegirine below ~24 GPa and above that pressure is quite different, with likely consequences for relevant thermodynamic parameters and ion diffusion coefficients.

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MMA‐EoS: A Computational Framework for Mineralogical Thermodynamics

et al. 2017

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We present a newly developed software framework, MMA‐EoS, that evaluates phase equilibria and thermodynamic properties of multicomponent systems by Gibbs energy minimization, with application to mantle petrology. The code is versatile in terms of the equation‐of‐state and mixing properties and allows for the computation of properties of single phases, solution phases, and multiphase aggregates. Currently, the open program distribution contains equation‐of‐state formulations widely used, that is, Caloric‐Murnaghan, Caloric–Modified‐Tait, and Birch‐Murnaghan–Mie‐Grüneisen‐Debye models, with published databases included. Through its modular design and easily scripted database, MMA‐EoS can readily be extended with new formulations of equations‐of‐state and changes or extensions to thermodynamic data sets. We demonstrate the application of the program by reproducing and comparing physical properties of mantle phases and assemblages with previously published work and experimental data, successively increasing complexity, up to computing phase equilibria of six‐component compositions. Chemically complex systems allow us to trace the budget of minor chemical components in order to explore whether they lead to the formation of new phases or extend stability fields of existing ones. Self‐consistently computed thermophysical properties for a homogeneous mantle and a mechanical mixture of slab lithologies show no discernible differences that require a heterogeneous mantle structure as has been suggested previously. Such examples illustrate how thermodynamics of mantle mineralogy can advance the study of Earth's interior.

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Pressure-volume-temperature equation of state of andradite and grossular, by high-pressure and -temperature powder diffraction

Cited by 39 publications

References 0 publications

Pressure and temperature dependences of elastic properties of grossular garnet up to 17 GPa and 1 650 K

Pressure and temperature dependences of elastic properties of grossular garnet up to 17 GPa and 1 650 K

Isosymmetric pressure‐induced bonding increase changes compression behavior of clinopyroxenes across jadeite‐aegirine solid solution in subduction zones

MMA‐EoS: A Computational Framework for Mineralogical Thermodynamics

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