Thermodynamical Gruneisen's function for pure iron at the Earth's core conditions

First-principles calculations of properties of orthorhombic iron carbide Fe7C3 at the Earths core conditions

Equilibrium iron isotope fractionation at core-mantle boundary conditions.

The equilibrium iron isotope fractionation between lower mantle minerals and metallic iron at core-mantle boundary conditions can be evaluated from the high-pressure 57Fe partial vibrational density of states determined by synchrotron inelastic nuclear resonant x-ray scattering spectroscopy using a diamond anvil. Ferropericlase [(Mg,Fe)O] and (Fe,Mg)SiO3- post-perovskite are enriched in heavy i...

Thermal and electrical conductivity of solid iron and iron–silicon mixtures at Earth's core conditions

a Department of Earth Sciences, Department of Physics and Astronomy, London Centre for Nanotechnology and Thomas Young Centre@UCL, University College London, Gower Street, London WC1E 6BT, United Kingdom b School of Earth and Environment, University of Leeds, Leeds LS2 9JT, UK c Institute of Geophysics and Planetary Physics, Scripps Institution of Oceanography, University of California at San D...

Transport properties for liquid silicon-oxygen-iron mixtures at Earth’s core conditions

MR41B-2101. 31H. Gomi, K. Ohta, K. Hirose, S. Labrosse, R. Caracas, M. J. Verstraete, and J. W. Hernlund, Japan Geoscience Union Meeting 2012, abstract SIT41-P14. 32G. Kresse and J. Furthmuller, Comp. Mater. Sci. 6, 15 (1996). 33P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 34G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 35Y. Wang and J. P. Perdew, Phys. Rev. B 44, 13298 (1991); J. P. ...

Dynamical stability of body center cubic iron at the Earth's core conditions.

Here, using self-consistent ab initio lattice dynamical calculations that go beyond the quasiharmonic approximation, we show that the high-pressure high-temperature bcc-Fe phase is dynamically stable. In this treatment the temperature-dependent phonon spectra are derived by exciting all the lattice vibrations, in which the phonon-phonon interactions are considered. The high-pressure and high-te...