Shock-wave equation of state of molten and solid fayalite

Chen, George Q.; Ahrens, Thomas J.; Stolper, Edward M.

doi:10.1016/s0031-9201(02)00080-8

Cited by 46 publications

(48 citation statements)

References 46 publications

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“…Preheated liquid EOS data for Fe 2 SiO 4 and room-temperature single-crystal fayalite data were both reported by Chen et al [13]. We have extended both data sets with new high-P experiments that confirm the pre-heated liquid Hugoniot of [13] and show that the highest-P data from room-temperature single-crystal fayalite reach the liquid regime.…”

Section: Fe 2 Siosupporting

confidence: 71%

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Shock compression of preheated silicate liquids: Apparent universality of increasing Grüneisen parameter upon compression

Asimow

2012

AIP Conference Proceedings

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Section: Fe 2 Siosupporting

confidence: 71%

“…We have extended both data sets with new high-P experiments that confirm the pre-heated liquid Hugoniot of [13] and show that the highest-P data from room-temperature single-crystal fayalite reach the liquid regime. Analysis of the difference between these Hugoniots shows increasing γ upon compression of this liquid, q = -1.46.…”

Section: Fe 2 Siomentioning

confidence: 77%

Shock compression of preheated silicate liquids: Apparent universality of increasing Grüneisen parameter upon compression

Asimow

2012

AIP Conference Proceedings

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“…Fig. 6 presents the Hugoniot data of Chen et al (2002) for molten fayalite initially at 1573 K and 1 bar, as well as our simulation results obtained with the same initial conditions. The agreement between experiment and simulation is excellent up to $250 kbar.…”

Section: Shock-wave Equation Of Statementioning

confidence: 87%

“…6. Pressure-density Hugoniot for molten fayalite initially at 1573 K. The circles are the simulation results for the Hugoniot (the dotted curve is a guideline for the eyes) and the full dots represent the Hugoniot data of Chen et al (2002). The triangles are the simulation results for the isentrope (the dashed curve is a guideline for points above $250 kbar) and the thin curve is the BMEOS associated with this isentrope in the 0-250 kbar range (for the parameters, see Table 5).…”

Section: Shock-wave Equation Of Statementioning

confidence: 99%

“…Thus, to estimate the buoyancy of melts generated at depth, to calculate the mineral-melt partition coefficients of elements and volatiles or to evaluate the solubility of rare gases in melts at high pressure, an accurate evaluation of the equation of state (EOS) for liquid silicates is needed to make reliable predictions. However density measurements of melts under pressure remain somewhat scarce (Fujii and Kushiro, 1977;Rigden et al, 1984;Agee and Walker, 1988;Miller et al, 1991;Agee and Walker, 1993;Ohtani et al, 1993;Suzuki et al, 1995Suzuki et al, , 1998Circone and Agee, 1996;Smith and Agee, 1997;Ohtani et al, 1998;Ohtani and Maeda, 2001;Chen et al, 2002;Suzuki and Ohtani, 2003) and mostly incomplete (in general only one or two state points are evaluated) which prevents the accurate determination of the EOS. Moreover in these studies, the experimental set up deals either with isostatic pressure (sink/float experiment) or with shock-wave compression (Hugoniot curve) and the link between the two methods is not straightforward; this is additionally obscured by experimental uncertainties.…”

Section: Introductionmentioning

confidence: 99%

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A computer simulation study of natural silicate melts. Part II: High pressure properties

Guillot

Sator

2007

Geochimica et Cosmochimica Acta

133

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The thermodynamic, structural and transport properties of natural silicate melts under pressure are investigated by molecular dynamics simulation with the help of a force field recently introduced by us [Guillot B. and Sator N. (2007) A computer simulation study of natural silicate melts. Part I: low pressure properties. Geochim. Cosmochim. Acta 71, 1249-1265]. It is shown that the simulation reproduces accurately the bulk moduli of a large variety of silicate liquids as evaluated from ultrasonic studies. The equations of state (EOS) of the simulated melts are in good agreement with the density data on mid-ocean ridge basalt, komatiite, peridotite and fayalite as obtained either by sink/float experiments or by shock-wave compression. From the structural point of view it is shown that the population of [5] Al and [6] Al species increases rapidly upon initial compression (0-50 kbar) whereas for Si these highly coordinated species are found in a significant abundance (>5%) only above $50 kbar for [5] Si and $100-150 kbar for [6] Si. This increase of the coordination of network formers is not the only response of the melt structure to the densification: there is also a large redistribution of the T-O-T (T = Si, Al) bond angles with the pressure and noticeably upon initial compression in rhyolitic and basaltic liquids. Furthermore, a detailed analysis of the population of bridging oxygens (BO) and nonbridging oxygens (NBO) points out that the polymerization of the melt generally increases when the pressure increases, the magnitude of this polymerization enhancement being all the more important that the melt is depolymerized at low pressure. The role of triclusters (threefold coordinated oxygens to network former cations) is particularly emphasized in acidic and basaltic liquids. The pressure-induced redistribution of the oxygen atoms through the melt structure is also stressed. Finally, the simulation predicts a nonmonotonic behavior of the diffusivity of network former ions when the pressure increases, a feature with depends on the melt composition. This could have a counterpart in the electrical conductivity at sufficiently high temperature when the viscosity of the liquid is low.

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Spin crossover in Fe₂SiO₄ liquid at high pressure

Ramo

Stixrude

2014

Geophysical Research Letters

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We combine spin-polarized density functional theory with first principle molecular dynamics (FPMD) to study the spin crossover in liquid Fe 2 SiO 4 , up to 300 GPa and 6000 K. In contrast to the much sharper transition seen in crystals, we find that the high-to low-spin transition occurs over a very broad pressure interval (>200 GPa) due to structural disorder in the liquid. We find excellent agreement with the experimental Hugoniot. We combine our results with previous FPMD calculations to derive the partial molar volumes of the oxide components MgO, FeO, and SiO 2 . We find that eutectic melts in the MgO-FeO-SiO 2 system are denser than coexisting solids in the bottom 600 km of Earth's mantle.

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Shock-wave equation of state of molten and solid fayalite

Cited by 46 publications

References 46 publications

Shock compression of preheated silicate liquids: Apparent universality of increasing Grüneisen parameter upon compression

Shock compression of preheated silicate liquids: Apparent universality of increasing Grüneisen parameter upon compression

A computer simulation study of natural silicate melts. Part II: High pressure properties

Spin crossover in Fe₂SiO₄ liquid at high pressure

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Shock-wave equation of state of molten and solid fayalite

Cited by 46 publications

References 46 publications

Shock compression of preheated silicate liquids: Apparent universality of increasing Grüneisen parameter upon compression

Shock compression of preheated silicate liquids: Apparent universality of increasing Grüneisen parameter upon compression

A computer simulation study of natural silicate melts. Part II: High pressure properties

Spin crossover in Fe2SiO4 liquid at high pressure

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Spin crossover in Fe₂SiO₄ liquid at high pressure