Effects of Fe-enrichment on the equation of state and stability of (Mg,Fe)SiO3 perovskite
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Natural and synthetic pyrope-almandine compositions from 38 to 100 mol% almandine (Alm38-Alm100) were studied by synchrotron X-ray diffraction in the laser-heated diamond anvil cell to 177 GPa. Single-phase orthorhombic GdFeO3-type perovskites were synthes ...
From high-resolution neutron-diffraction experiments we present equation-of-state (EOS) data of elemental lead as functions of both temperature (80-298 K) and applied pressure (up to 8.9 GPa), with the pressure values derived from the NaCl pressure gauge. ...
Chemical weathering of Mg, Ca-silicates and alumino-silicates contributes significantly to the drawdown of atmospheric CO2 over long time scales. The present work focuses on how this mode of weathering may change in the presence of free-living bacteria in ...
Phase equilibria in the CaO-Al2O3-Fe2O3-SO3 system have been studied, mainly at 1325 degrees C. In particular the solid solution compositions of ye'elimite Ca-4(Al6O12)SO4 and brownmillerite (C-2(A,F)) phases have been analysed and used to estimate the com ...
We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...
Pressure-induced successive phase transitions of micro-, submicro-, and nanocrystalline NaNbO3 particles were investigated by high-pressure Raman spectroscopy. Microcrystalline NaNbO3, which stabilizes in an orthorhombic Pbcm structure at ambient pressure, ...
A 2D phase-field model has been developed in order to describe the morphology of a pore forming within interdendritic liquid channels and the geometrical effect of mechanical contacts with neighboring solid. The distribution of the solid, liquid and gas ph ...
A 2D phase-field model has been developed in order to describe the morphology of a pore forming within interdendritic liquid channels and the geometrical effect of mechanical contacts with neighboring solid. The distribution of the solid, liquid and gas ph ...
Uranium L-III-edge X-ray absorption spectroscopy is often used to probe the oxidation state and coordination of uranium in environmental samples, and micrometre-sized beams can be used to spatially map the distribution of uranium relative to other elements ...
Recent progress in simulation methodologies and in computer power allow first-principles simulations of condensed systems with Born–Oppenheimer electronic energies obtained by quantum Monte Carlo methods. Computing free energies and therefore getting a qua ...
