Thermal equation of state of CaFe2O4-type MgAl2O4

Sueda, Yuichiro; Irifune, Tetsuo; Sanehira, T.; Yagi, T.; Nishiyama, Norimasa; Kikegawa, Takumi; Funakoshi, Kengo

doi:10.1016/j.pepi.2008.07.046

Cited by 18 publications

(18 citation statements)

References 37 publications

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“…To the best of our knowledge, there are currently no high‐temperature compressional experiments for Mg‐CT. Our calculated EOS data for Mg‐CF and NaMg‐CF at 2,000 K are in good agreement with the experimental results of Sueda et al () and Ricolleau et al (), respectively.…”

Section: Resultssupporting

confidence: 91%

“…The pressure‐volume relations are successfully described by least squares fitting the third‐order Birch‐Murnaghan (BM) EOS (Birch, ):

P ((), V) = \frac{3}{2} K_{0} ([], {(V_{0} / V)}^{\frac{7}{3}} - {(V_{0} / V)}^{\frac{5}{3}}) ({}, 1 + \frac{3}{4} ((), K_{0}^{'} - 4) ([], {(V_{0} / V)}^{\frac{2}{3}} - 1)),

where V 0 , K 0 , and

K_{0}^{'}

are the unit cell volume, zero‐pressure bulk modulus, and its pressure derivative, respectively. Our calculated athermal EOS parameters for Mg‐CF, Mg‐CT, and NaMg‐CF match well with experimental results (Guignot & Andrault, ; Imada et al, ; Irifune et al, ; Ono et al, , ; Sueda et al, ; Yutani et al, ) and previous first‐principle calculations (Gracia et al, ; Kawai & Tsuchiya, ; Mookherjee, ; Ono et al, ; Yin et al, ) by different exchange‐correlation functionals (Tables S2 and S3 and Figures a, c, and e).…”

Section: Resultssupporting

confidence: 88%

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Thermoelastic Properties of Aluminous Phases in MORB From First‐Principle Calculation: Implications for Earth's Lower Mantle

et al. 2018

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The mantle dynamics and mineralogy of the deep Earth are fundamentally influenced by the intrusion of subducted mid‐ocean ridge basalt (MORB). Calcium ferrite (CF) structure and calcium titanate (CT) structure phases are probable candidates for the end members of the complex aluminous solid solution in MORB under Earth's lower mantle (LM) conditions. In this paper, we investigate the thermoelastic properties of CF‐type MgAl2O4 (Mg‐CF), CT‐type MgAl2O4 (Mg‐CT), and CF‐type NaMg2Al5SiO12 (NaMg‐CF) under 32 to 142 GPa at 0, 2,000, and 3,000 K by ab initio molecular dynamics calculations. Using the thermal equations of state of the aluminous phases and considering the effects of composition and phase transition, we confirm that MORB is 0.7–1.8% denser than the surrounding mantle and support that oceanic plate could subduct at least to the bottom 200–300 km of the LM. At LM pressure‐temperature conditions, MORB has 0.3% faster VP, 2.2% slower Vs, and 1.9% faster VΦ than does the preliminary reference Earth model. Temperature dependencies of elasticity of Mg‐CF, Mg‐CT, and NaMg‐CF are calculated under LM conditions. We find that the temperature effect on different elastic constant components is complicated and the trend in the changes of derivatives of wave velocities with respect to temperature is contrary to other system (e.g., bridgmanite), so it is worth obtaining the elastic properties of mantle minerals under their relevant conditions. In addition, the significant elastic anisotropy due to the phase transition from CF structure to CT structure may lead to detectable seismic anisotropy at the bottom of the LM.

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Section: Resultssupporting

confidence: 91%

“…The pressure‐volume relations are successfully described by least squares fitting the third‐order Birch‐Murnaghan (BM) EOS (Birch, ):

P ((), V) = \frac{3}{2} K_{0} ([], {(V_{0} / V)}^{\frac{7}{3}} - {(V_{0} / V)}^{\frac{5}{3}}) ({}, 1 + \frac{3}{4} ((), K_{0}^{'} - 4) ([], {(V_{0} / V)}^{\frac{2}{3}} - 1)),

where V 0 , K 0 , and

K_{0}^{'}

Section: Resultssupporting

confidence: 88%

Thermoelastic Properties of Aluminous Phases in MORB From First‐Principle Calculation: Implications for Earth's Lower Mantle

et al. 2018

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“…Such cation substitutions likely do not have a significant effect on the physical properties of the CF phase such as density. Zero‐pressure densities of CF phases with different compositions are summarized in Table S3, including the end‐members CaAl 2 O 4 (~3.98 g/cm 3 ) [ Akaogi et al ., ], MgAl 2 O 4 (~3.94 g/cm 3 ) [ Kojitani et al ., ; Sueda et al ., ], and NaAlSiO 4 (3.88–3.92 g/cm 3 ) [ Dubrovinsky et al ., ; Guignot and Andrault , ; Yamada et al ., ], Fe‐free and Fe‐bearing NaAlSiO 4 ‐MgAl 2 O 4 solid solutions (3.81–4.01 g/cm 3 ) [ Funamori et al ., ; Imada et al ., ; Litasov and Ohtani , ; Ono et al ., ]. The variation of density with composition is small and even the end‐members MgAl 2 O 4 and NaAlSiO 4 have similar densities.…”

Section: Resultsmentioning

confidence: 97%

“…We have modeled density and bulk sound velocity profiles of MORB composition at 300 K and 1200 K across the spin transition zones of NAL and CF phases. Subducted MORB in the lower mantle is assumed to contain 40% bridgmanite [ Boffa Ballaran et al ., ; Katsura et al ., ], 20% CaSiO 3 perovskite [ Li et al ., ], 20% stishovite or CaCl 2 ‐type SiO 2 [ Andrault et al ., ; Nishihara et al ., ], 10% NAL [ Shinmei et al ., ; Wu et al ., ], and 10% CF [ Sueda et al ., ] by volume, and the proportions of minerals are assumed to remain constant with depth [ Ricolleau et al ., ] (Table S7). V Φ profiles of MORB‐1 were calculated without considering Fe 3+ spin transitions in the NAL and CF phases, while V Φ profiles of MORB‐2 were modeled using constituent minerals including the Fe‐bearing NAL and CF phases.…”

Section: Geophysical Implicationsmentioning

confidence: 99%

Spin transition of ferric iron in the calcium‐ferrite type aluminous phase

Qin

et al. 2017

JGR Solid Earth

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We investigated Fe‐free and Fe‐bearing CF phases using nuclear forward scattering and X‐ray diffraction coupled with diamond anvil cells up to 80 GPa at room temperature. Octahedral Fe3+ ions in the Fe‐bearing CF phase undergo a high‐spin to low‐spin transition at 25–35 GPa, accompanied by a volume reduction of ~2.0% and a softening of bulk sound velocity up to 17.6%. Based on the results of this study and our previous studies, both the NAL and CF phases, which account for 10–30 vol % of subducted MORB in the lower mantle, are predicted to undergo a spin transition of octahedral Fe3+ at lower mantle pressures. Spin transitions in these two aluminous phases result in an increase of density of 0.24% and a pronounced softening of bulk sound velocity up to 2.3% for subducted MORB at 25–60 GPa and 300 K. The anomalous elasticity region expands and moves to 30–75 GPa at 1200 K and the maximum of the VΦ reduction decreases to ~1.8%. This anomalous elastic behavior of Fe‐bearing aluminous phases across spin transition zones may be relevant in understanding the observed seismic signatures in the lower mantle.

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“…The size of the SD anvil has been extended in the 1990s from a 5e10-mm to 14-mm edge length and this highpressure technique has been developed and applied to study mineral properties and phase transitions in the MAA by using the traditional quenched method (Ito et al, 1998), or by combining with the synchrotron X-ray diffraction technique (Kato et al, 1992;Kondo et al, 1993;Funamori et al, 1996aFunamori et al, , 1996b. High-pressure generation using SD anvils has been extended significantly, especially in the last decade, including the Earth Science research field with many studies carried out (Ito, 2000;Ono et al, 2000Ono et al, , 2001Irifune, 2002;Irifune et al, 2002;Ito and Kubo, 2002;Kubo et al, 2003;Yamazaki and Irifune, 2003;Ito et al, 2004;Ohtani, 2004;Sueda et al, 2004;Ito et al, 2005;Ito, 2006;Yamazaki et al, 2006;Ito, 2007;Stewart et al, 2007;Kubo et al, 2008;Shinmei et al, 2008;Tange et al, 2008;Ito et al, 2009Ito et al, , 2010Katsura et al, 2009;Sueda et al, 2009;Yamazaki et al, 2011). In this paper we review the advances of high-pressure generation in the MAA by adopting the SD cubic anvil and we also discuss the problems and perspectives of this technique.…”

Section: Introductionmentioning

confidence: 99%

Recent advances of high-pressure generation in a multianvil apparatus using sintered diamond anvils

Zhai

Ito

2011

Geoscience Frontiers

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The tried and tested multianvil apparatus has been widely used for high-pressure and hightemperature experimental studies in Earth science. As a result, many important results have been obtained for a better understanding of the components, structure and evolution of the Earth. Due to the strength limitation of materials, the attainable multianvil pressure is generally limited to about 30 GPa (corresponding to about 900 km of the depth in the Earth) when tungsten carbide cubes are adopted as second-stage anvils. Compared with tungsten carbide, the sintered diamond is a much harder material. The sintered diamond cubes were introduced as second-stage anvils in a 6e8 type multianvil apparatus in the 1980s, which largely enhanced the capacity of pressure generation in a large volume press. With the development of material synthesis and processing techniques, a large sintered diamond cube (14 mm) is now available. Recently, maximum attainable pressures reaching higher than 90 GPa (corresponding to about 2700 km of the depth in the Earth) have been generated at room temperature by adopting 14-mm sintered diamond anvils. Using this technique, a few researches have been carried out by the quenched method or combined with synchrotron radiation in situ observation. In this paper we review the properties of sintered diamond and the evolution of pressure generation using sintered diamond anvils. As-yet unsolved problems and perspectives for uses in Earth Science are also discussed. ª 2011, China University of Geosciences (Beijing) and Peking University. Production and hosting by Elsevier B.V. All rights reserved.

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Thermal equation of state of CaFe2O4-type MgAl2O4

Cited by 18 publications

References 37 publications

Thermoelastic Properties of Aluminous Phases in MORB From First‐Principle Calculation: Implications for Earth's Lower Mantle

Thermoelastic Properties of Aluminous Phases in MORB From First‐Principle Calculation: Implications for Earth's Lower Mantle

Spin transition of ferric iron in the calcium‐ferrite type aluminous phase

Recent advances of high-pressure generation in a multianvil apparatus using sintered diamond anvils

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