Imaging the top of the Earth's inner core: a present-day flow model.

Despite considerable progress in seismology, mineral physics, geodynamics, paleomagnetism, and mathematical geophysics, Earth's inner core structure and evolution remain enigmatic. One of the most significant issues is its thermal history and the current thermal state. Several hypotheses involving a thermally-convecting inner core have been proposed: a simple, high-viscosity, translational mode, or a classical, lower-viscosity, plume-style convection. Here, we use state-of-the-art seismic imaging to probe the outermost shell of the inner core for its isotropic compressional speed and compare it with recently developed attenuation maps. The pattern emerging in the resulting tomograms is interpreted with recent data on the viscosity of iron as the inner core surface manifestation of a thermally-driven flow, with a positive correlation among compressional speed and attenuation and temperature. Although the outer-core convection controls the heat flux across the inner core boundary, the internally driven inner-core convection is a plausible model that explains a range of observations for the inner core, including distinct anisotropy in the innermost inner core.

Low viscosity of the Earth's inner core.

The Earth's solid inner core is a highly attenuating medium. It consists mainly of iron. The high attenuation of sound wave propagation in the inner core is at odds with the widely accepted paradigm of hexagonal close-packed phase stability under inner core conditions, because sound waves propagate through the hexagonal iron without energy dissipation. Here we show by first-principles molecular dynamics that the body-centered cubic phase of iron, recently demonstrated to be thermodynamically stable under the inner core conditions, is considerably less elastic than the hexagonal phase. Being a crystalline phase, the body-centered cubic phase of iron possesses the viscosity close to that of a liquid iron. The high attenuation of sound in the inner core is due to the unique diffusion characteristic of the body-centered cubic phase. The low viscosity of iron in the inner core enables the convection and resolves a number of controversies.

Strong, Multi-Scale Heterogeneity in Earth's Lowermost Mantle.

The core mantle boundary (CMB) separates Earth's liquid iron outer core from the solid but slowly convecting mantle. The detailed structure and dynamics of the mantle within ~300 km of this interface remain enigmatic: it is a complex region, which exhibits thermal, compositional and phase-related heterogeneity, isolated pockets of partial melt and strong variations in seismic velocity and anisotropy. Nonetheless, characterising the structure of this region is crucial to a better understanding of the mantle's thermo-chemical evolution and the nature of core-mantle interactions. In this study, we examine the heterogeneity spectrum from a recent P-wave tomographic model, which is based upon trans-dimensional and hierarchical Bayesian imaging. Our tomographic technique avoids explicit model parameterization, smoothing and damping. Spectral analyses reveal a multi-scale wavelength content and a power of heterogeneity that is three times larger than previous estimates. Inter alia, the resulting heterogeneity spectrum gives a more complete picture of the lowermost mantle and provides a bridge between the long-wavelength features obtained in global S-wave models and the short-scale dimensions of seismic scatterers. The evidence that we present for strong, multi-scale lowermost mantle heterogeneity has important implications for the nature of lower mantle dynamics and prescribes complex boundary conditions for Earth's geodynamo.

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations.

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L(2, 3), C K, and Ge M1, M(2, 3) emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

Electronic correlation effects in the Cr2GeC Mn+1AXn phase.

The magnetic properties, electronic band structure and Fermi surfaces of the hexagonal Cr(2)GeC system have been studied by means of both generalized gradient approximation (GGA) and the +U corrected method (GGA + U). The effective U value has been computed within the augmented plane wave theoretical scheme by following the constrained density functional theory formalism of Anisimov and Gunnarsson (1991 Phys. Rev. B 45 7570-74). On the basis of our GGA + U calculations, a compensated antiferromagnetic spin ordering of Cr atoms has been found to be the ground-state solution for this material, where a Ge-mediated super-exchange coupling is responsible for an opposite spin distribution between the ABA stacked in-plane Cr-C networks. Structural properties have also been tested and found to be in good agreement with the available experimental data. Topological analysis of Fermi surfaces has been used to qualitatively address the electronic transport properties of Cr(2)GeC, and found an important asymmetrical carrier-type distribution within the hexagonal crystal lattice. We conclude that an appropriate description of the strongly correlated Cr d electrons is an essential issue for interpreting the material properties of this unusual Cr-based MAX phase.

Hemispherical anisotropic patterns of the Earth's inner core.

It has been shown that the Earth's inner core has an axisymmetric anisotropic structure with seismic waves traveling approximately 3% faster along polar paths than along equatorial directions. Hemispherical anisotropic patterns of the solid Earth's core are rather complex, and the commonly used hexagonal-close-packed iron phase might be insufficient to account for seismological observations. We show that the data we collected are in good agreement with the presence of two anisotropically specular east and west core hemispheres. The detected travel-time anomalies can only be disclosed by a lattice-preferred orientation of a body-centered-cubic iron aggregate, having a fraction of their [111] crystal axes parallel to the Earth's rotation axis. This is compelling evidence for the presence of a body-centered-cubic Fe phase at the top of the Earth's inner core.

Towards a generalized vision of oxides: disclosing the role of cations and anions in determining unit-cell dimensions.

Theoretical calculations of the electron-localization function show that, at the volumes of the two CaO phases (rocksalt and CsCl type), the parent Ca structures (fcc: face-centred cubic and sc: simple cubic, respectively) exhibit charge concentration zones which coincide with the positions occupied by the O atoms in their oxides. Similar features, also observed for the pairs Ca/CaF(2) and BaSn/BaSnO(3), are supported by recent high-pressure experiments as well as electron-localization function (ELF) calculations, carried out on elemental K. At very high pressures, the elemental K adopts the hP4 structure, topologically identical to that of the K atoms in high-pressure K(2)S and high-temperature alpha-K(2)SO(4). Moreover, the ELF for the hP4 structure shows charge concentration (approximately 2 electrons) at the sites occupied by the S atoms in the high-pressure K(2)S phase. All these features confirm the oxidation/high-pressure equivalence as well as the prediction of how cation arrays should be metastable phases of the parent metals. For the first time to our knowledge, the structure type, dimension and topology of several oxides and fluorides (CaO, CaF(2) and BaSnO(3)) are explained in univocal physical terms.