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

Kono, Yoshio; Gréaux, Steeve; Higo, Yuji; Ohfuji, Hiroaki; Irifune, Tetsuo

doi:10.1007/s12583-010-0112-2

Cited by 43 publications

(51 citation statements)

References 25 publications

(52 reference statements)

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“…The equation of state parameters (zero‐pressure bulk modulus B 0 and its pressure derivative B 0 ′) are determined by least squares fitting the LDA data to the third‐order Birch‐Murnaghan equation (Table 1). The parameters obtained are B 0 = 176.5 GPa and B 0 ′ = 4.43, in good agreement with experimental data [ Pavese et al , 2001; Zhang et al , 1999; Olijnyk et al , 1991; Kono et al , 2010]. We also compared the pressure‐volume relations of CaPv [ Tsuchiya , 2011] and Cor [ Tsuchiya et al , 2005] with experimental results for Cor [ Richet et al , 1988] and CaPv [ Shim et al , 2000; Mao et al , 1989; Tarrida and Richet , 1989; Wang et al , 1996; Tamai and Yagi , 1989] and found good agreement.…”

Section: Resultssupporting

confidence: 80%

“…(a) Volume variations calculated within the LDA (red solid line) and the GGA (red dashed line). Circles , diamonds, and triangles indicate experimental results for grossular [ Kono et al , 2010; Olijnyk et al , 1991; Zhang et al , 1999; Pavese et al , 2001], Cor [ Richet et al , 1988], and CaPv [ Shim et al , 2000; Mao et al , 1989; Tarrida and Richet , 1989; Wang et al , 1996; Tamai and Yagi , 1989], respectively. Calculated volumes of Cor (light green line), CaPv (blue line), and an assemblage of CaPv and Cor (dense green line) are also shown.…”

Section: Resultsmentioning

confidence: 99%

“…Although Pv with the grossular composition is likely to be metastable because of the slow kinetics of grossular decomposition, the energetics of this particular Pv is still unclear. Elastic properties of grossular have been studied experimentally up to 17 GPa using Brillouin scattering and ultrasonic measurements [ Bass , 1989; Conrad et al , 1999; Kono et al , 2010]. …”

Section: Introductionmentioning

confidence: 99%

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First principles investigations on the elasticity and phase stability of grossular garnet

Kawai¹,

Tsuchiya²

2012

J. Geophys. Res.

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[1] In order to understand the fate of subducted continental materials by means of mechanisms such as tectonic erosion and sediment subduction, it is important to understand the high-pressure stability and elastic properties of grossular garnet. We study these questions using the first principles computation method. Grossular garnet was found to dissociate into an assemblage of CaSiO 3 Ca-perovskite (Pv) and Al 2 O 3 corundum (Cor) at about 23.4 GPa, accompanied by remarkable jumps of compressional wave (8.0%), shear wave (11.6%), bulk sound (5.7%) velocities, and density (12.1%). Although Pv with the grossular garnet composition was suggested experimentally after the decomposition reaction, this phase was found to be less stable than an assemblage of CaPv and Cor at pressures higher than 20 GPa. This indicates that observed Pv with the grossular garnet composition is metastable but can be obtained because of the slow kinetics of the garnet decomposition reaction. Our results imply that the dissociation of grossular garnet (as well as that of jadeite) included in continental materials subducted into the deep mantle increases the complexity of the 660 km discontinuity and can explain seismically observed multiple reflections. We have also investigated the anisotropy of elastic velocities of grossular garnet, CaPv, and Cor and found that CaPv is the most anisotropic mineral. This implies that CaPv could produce seismic anisotropy in the uppermost lower mantle.

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Section: Resultssupporting

confidence: 80%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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First principles investigations on the elasticity and phase stability of grossular garnet

Kawai¹,

Tsuchiya²

2012

J. Geophys. Res.

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“…For pyrope, three accurate experiments have been performed at high pressure: a single-crystal Brillouin scattering study by Sinogeikin et al 15 who reported values up to 20 GPa at ambient temperature (full circles); a synchrotron X-ray diffraction experiment by Gwanmesia et al 70 73 (full pentagons) are reported up to 7 GPa and 14 GPa, respectively. As far as we know, no experimental data are available for spessartine.…”

Section: Resultsmentioning

confidence: 99%

“…Due to the fact that all these properties are derived from the elastic stiffness constants, they show a quasi-linear trend as a function of pressure too.Most experimental studies of the elastic properties of garnets under pressure, report average seismic wave velocities 15,25,67,[70][71][72][73]. Within the Voigt-Reuss-Hill scheme, the average values of quasi-transverse (shear), v s , and quasilongitudinal, v p , seismic wave velocities can be computed as74 …”

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confidence: 99%

Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets

Mahmoud

Erba

Doll

et al. 2014

The Journal of Chemical Physics

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A general methodology has been devised and implemented into the solid-state ab initio quantum-mechanical Crystal program for studying the evolution under geophysical pressure of the elastic anisotropy of crystalline materials. This scheme, which fully exploits both translational and point symmetry of the crystal, is developed within the formal frame of one-electron Hamiltonians and atom-centered basis functions. Six silicate garnet end-members, among the most important rock-forming minerals of the Earth's mantle, are considered, whose elastic anisotropy is fully characterized under high hydrostatic compressions, up to 60 GPa. The pressure dependence of azimuthal anisotropy and shear-wave birefringence of seismic wave velocities for these minerals are accurately simulated and compared with available single-crystal measurements.

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Sound velocities of aluminum‐bearing stishovite in the mantle transition zone

Gréaux

Kono

Wang

et al. 2016

Geophysical Research Letters

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The elasticity of Al‐bearing stishovite with 1.0, 3.3, and 4.5 wt % Al2O3 was investigated in the multianvil apparatus at high pressures and temperatures up to 21 GPa and 1700 K, by ultrasonic interferometry in conjunction with in situ X‐ray techniques. The moduli KS and G are found to decrease with increasing Al2O3 content, while their pressure and temperature derivatives do not change in a significant manner for 1.0 and 3.3 wt % Al2O3. The temperature derivatives for 4.5 wt % Al2O3, however, are larger, which may result from a change in the Al substitution mechanism at high Al2O3 content. It is shown that acoustic velocities of any mid‐ocean ridge basalt are lower by −0.4% than those calculated from pure stishovite data. Velocity perturbations up to −3.4% (VP) and −4.2% (VS) in subducted slabs are explained by the combination of the thermal equilibration (ΔT ~ 600 K) of the slab and Al enrichment in stishovite.

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

Cited by 43 publications

References 25 publications

First principles investigations on the elasticity and phase stability of grossular garnet

First principles investigations on the elasticity and phase stability of grossular garnet

Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets

Sound velocities of aluminum‐bearing stishovite in the mantle transition zone

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