Inner-core Conditions Research Articles

Oxygen-Driven Enhancement of the Electron Correlation in Hexagonal Iron at Earth's Inner Core Conditions.

Earth's inner core (IC) consists of mainly iron with some light elements. Understanding its structure and related physical properties has been elusive as a result of its required extremely high pressure and temperature conditions. The phase of iron, elastic anisotropy, and density-velocity deficit at the IC have long been questions of great interest. Here, we find that the electron correlation effect is enhanced by oxygen and modifies several important features, including the stability of iron oxides. Oxygen atoms energetically stabilize hexagonal-structured iron at IC conditions and induce elastic anisotropy. Electrical resistivity is much enhanced in comparison to pure hexagonal close-packed (hcp) iron as a result of the enhanced electron correlation effect, supporting the conventional thermal convection model. Moreover, our calculated seismic velocity shows a quantitative match with geologically observed preliminary reference Earth model (PREM) data. We suggest that oxygen is the essential light element to understand and model Earth's IC.

Superionic effect and anisotropic texture in Earth’s inner core driven by geomagnetic field

Seismological observations suggest that Earth’s inner core (IC) is heterogeneous and anisotropic. Increasing seismological observations make the understanding of the mineralogy and mechanism for the complex IC texture extremely challenging, and the driving force for the anisotropic texture remains unclear. Under IC conditions, hydrogen becomes highly diffusive like liquid in the hexagonal-close-packed (hcp) solid Fe lattice, which is known as the superionic state. Here, we reveal that H-ion diffusion in superionic Fe-H alloy is anisotropic with the lowest barrier energy along the c-axis. In the presence of an external electric field, the alignment of the Fe-H lattice with the c-axis pointing to the field direction is energetically favorable. Due to this effect, Fe-H alloys are aligned with the c-axis parallel to the equatorial plane by the diffusion of the north–south dipole geomagnetic field into the inner core. The aligned texture driven by the geomagnetic field presents significant seismic anisotropy, which explains the anisotropic seismic velocities in the IC, suggesting a strong coupling between the IC structure and geomagnetic field.

Cooperative diffusion in body-centered cubic iron in Earth and super-Earths’ inner core conditions

The physical chemistry of iron at the inner-core conditions is key to understanding the evolution and habitability of Earth and super-Earth planets. Based on full first-principles simulations, we report cooperative diffusion along the longitudinally fast directions of body-centered cubic (bcc) iron in temperature ranges of up to 2000–4000 K below melting and pressures of ∼300–4000 GPa. The diffusion is due to the low energy barrier in the corresponding direction and is accompanied by mechanical and dynamical stability, as well as strong elastic anisotropy of bcc iron. These findings provide a possible explanation for seismological signatures of the Earth’s inner core, particularly the positive correlation between P wave velocity and attenuation. The diffusion can also change the detailed mechanism of core convection by increasing the diffusivity and electrical conductivity and lowering the viscosity. The results need to be considered in future geophysical and planetary models and should motivate future studies of materials under extreme conditions.

Combined Assimilation of Doppler Wind Lidar and Tail Doppler Radar Data over a Hurricane Inner Core for Improved Hurricane Prediction with the NCEP Regional HWRF System

Accurate specification of hurricane inner-core structure is critical to predicting the evolution of a hurricane. However, observations over hurricane inner cores are generally lacking. Previous studies have emphasized Tail Doppler radar (TDR) data assimilation to improve hurricane inner-core representation. Recently, Doppler wind lidar (DWL) has been used as an observing system to sample hurricane inner-core and environmental conditions. The NOAA P3 Hurricane Hunter aircraft has DWL installed and can obtain wind data over a hurricane’s inner core when the aircraft passes through the hurricane. In this study, we examine the impact of assimilating DWL winds and TDR radial winds on the prediction of Hurricane Earl (2016) with the NCEP operational Hurricane Weather Research and Forecasting (HWRF) system. A series of data assimilation experiments are conducted with the Gridpoint Statistical Interpolation (GSI)-based ensemble-3DVAR hybrid system to identify the best way to assimilate TDR and DWL data into the HWRF forecast system. The results show a positive impact of DWL data on hurricane analysis and prediction. Compared with the assimilation of u and v components, assimilation of DWL wind speed provides better hurricane track and intensity forecasts. Proper choices of data thinning distances (e.g., 5 km horizontal thinning and 70 hPa vertical thinning for DWL) can help achieve better analysis in terms of hurricane vortex representation and forecasts. In the analysis and forecast cycles, the combined TDR and DWL assimilation (DWL wind speed and TDR radial wind, along with other conventional data, e.g., NCEP Automated Data Processing (ADP) data) offsets the downgrade analysis from the absence of DWL observations in an analysis cycle and outperforms assimilation of a single type of data (either TDR or DWL) and leads to improved forecasts of hurricane track, intensity, and structure. Overall, assimilation of DWL observations has been beneficial for analysis and forecasts in most cases. The outcomes from this study demonstrate the great potential of including DWL wind profiles in the operational HWRF system for hurricane forecast improvement.

Superionic iron alloys and their seismic velocities in Earth’s inner core

Earth's inner core (IC) is less dense than pure iron, indicating the existence of light elements within it1. Silicon, sulfur, carbon, oxygen and hydrogen have been suggested to be the candidates2,3, and the properties of iron-light-element alloys have been studied to constrain the IC composition4-19. Light elements have a substantial influence on the seismic velocities4-13, the melting temperatures14-17 and the thermal conductivities18,19 of iron alloys. However, the state of the light elements in the IC is rarely considered. Here, using ab initio molecular dynamics simulations, we find that hydrogen, oxygen and carbon in hexagonal close-packed iron transform to a superionic state under the IC conditions, showing high diffusion coefficients like a liquid. This suggests that the IC can be ina superionic state rather than a normal solid state. The liquid-like light elements lead to a substantial reduction in the seismic velocities, which approach the seismological observations of the IC20,21. The substantial decrease in shear-wave velocity provides an explanation for the soft IC21. In addition, the light-element convection has a potential influence on the IC seismological structure and magnetic field.

Strong shear softening induced by superionic hydrogen in Earth's inner core

Geophysical and geochemical evidence suggests that Earth's core is predominantly made of iron (or iron-nickel alloy) with several percent of light elements. However, Earth's solid inner core transmits shear waves at a much lower velocity than expected from mineralogical models that are consistent with geochemical constraints. Here we investigate the effect of hydrogen on the elastic properties of iron and iron-silicon alloys using ab initio molecular dynamic simulations. We find that these H-bearing alloys maintain a superionic state under inner-core conditions and that their shear moduli exhibit a strong shear softening due to the superionic effect, with a corresponding reduction in VS. Several hcp-iron-silicon-hydrogen compositions can explain the observed density, VP, VS, and Poisson's ratio of the inner core simultaneously. Our results indicate that hydrogen is a significant component of the Earth's core, and that it may contain at least four ocean masses of water. This indicates that the Earth may have accreted wet and obtained its water from chondritic and/or nebular materials before or during core formation.

Reconciling elasticity tensor constraints from mineral physics and seismological observations: applications to the Earth’s inner core

SUMMARY This study establishes the proper framework in which to compare seismic observations with mineral physics constraints for studies of the inner core by determining how the elements of the elasticity tensor are sampled by the normal modes of the Earth. The obtained mapping between the elements of the elasticity tensor and the seismic wave speeds shows that the choice of averaging scheme used to calculate isotropic properties is crucial to understand the composition of the inner core, especially for comparison with the shear wave speed such as that provided in PREM. For example, the appropriate shear wave speed calculated for an Fe-Ni-Si hcp alloy at inner-core conditions differs from the shear wave speed obtained by taking a Reuss average by as much as $27\, {\rm per\, cent}$. It is also shown for the first time that by combining the isotropic observations based upon normal-mode characteristic frequencies and anisotropic parameters from their splitting, the five independent elastic parameters (A, C, F, L and N) that fully describe a transversely isotropic inner core can be uniquely constrained. The elastic values based upon a variety of mode-splitting studies are reported, and the differences between models from various research groups are shown to be relatively small ($\lt 10\, {\rm per\, cent}$). Additionally, an analogous body-wave methodology is developed to approximately estimate the five independent elastic constants from observations of compressional wave traveltime anomalies. The body-wave observations are utilized to consider the depth dependence of inner-core anisotropy, in particular, the structure of the innermost inner core. Finally, we demonstrate that substantial errors may result when attempting to relate seismically observed P and S wave speeds from Debye velocities obtained through nuclear resonant inelastic X-ray scattering. The results of these experiments should be compared directly with the Debye velocity calculated from seismically constrained elastic constants. This manuscript provides a new set of formulae and values of seismic observations of the inner core that can be easily compared against mineral physics constraints for better understanding of the inner-core composition.

No system-size anomalies in entropy of bcc iron at Earth\u2019s inner-core conditions

New molecular modeling data show that the entropy of bcc iron exhibits no system-size anomalies, implying that it should be feasible to compute accurate free energies of this system using first-principles methods without requiring a prohibitively large number of atoms. Conclusions are based on rigorous calculations of size-dependent free energies for a Sutton-Chen model of iron previously fit to ab initio calculations, and refute statements recently appearing in the literature indicating that the size of the simulation cell is critical for stabilization of the bcc phase.

Stabilization of body-centred cubic iron under inner-core conditions

The Earth’s solid core is mostly composed of iron. However, despite being central to our understanding of core properties, the stable phase of iron under inner-core conditions remains uncertain. The two leading candidates are hexagonal close-packed and body-centred cubic (bcc) crystal structures, but the dynamic and thermodynamic stability of bcc iron under inner-core conditions has been challenged. Here we demonstrate the stability of the bcc phase of iron under conditions consistent with the centre of the core using ab initio molecular dynamics simulations. We find that the bcc phase is stabilized at high temperatures by a diffusion mechanism that arises due to the dynamical instability of the phase at lower temperatures. On the basis of our simulations, we reinterpret experimental data as support for the stability of bcc iron under inner-core conditions. We suggest that the diffusion of iron atoms in solid state may explain both the anisotropy and the low shear modulus of the inner core. The crystal structure of iron under the extreme pressures and temperatures of Earth’s core is debated. Numerical simulations suggest that the body-centred cubic structure of iron is stable under inner-core conditions.

The elastic properties of hcp-Fe1 − xSix at Earth's inner-core conditions

The density of the Earth's inner core is less than that of pure iron and the P-wave velocities and, particularly, the S-wave velocities in the inner core observed from seismology are lower than those generally obtained from mineral physics. On the basis of measurements of compressional sound velocities to ∼100 GPa in diamond-anvil cells, extrapolated to inner-core pressures, it has been suggested that both the inner-core density and P-wave velocity can be matched simultaneously by the properties of a hexagonal-close-packed (hcp) Fe–Si or Fe–Ni–Si alloy. In this paper we present the results of ab initio molecular dynamics simulations of hcp-Fe–Si alloys at 360 GPa and at temperatures up to melting. We find that although the inner-core density can be readily matched by an Fe–Si alloy, the same is not true for the wave velocities. At inner-core temperatures, the P-wave velocity in hcp-Fe–Si remains equal to, or slightly above, that of hcp-Fe and shows little change with silicon content. The S-wave velocity is reduced with respect to that of pure hcp-iron, except for temperatures immediately prior to melting, where the velocities are almost equal; this is a consequence of the fact that the strong temperature dependence of the shear modulus that was seen in similar simulations of hcp-Fe just prior to melting was not found in hcp-Fe–Si, and so in this temperature range the reduced S-wave velocity of pure iron closely matches that of the alloy. Our results show that for an hcp-Fe–Si alloy matching the inner-core density, both the P-wave and the S-wave velocities will be higher than those observed by seismology and we conclude, therefore, that our calculations indicate that inner core velocities cannot be explained by an hcp-Fe–Si alloy. The opposite conclusion, obtained previously from experimental data measured at lower pressures, is a consequence of: (i) the necessarily large extrapolation in pressure and temperature required to extend the experimental results to inner-core conditions and (ii) the use of a velocity–density relationship for pure hcp-iron that is now considered to be incorrect.

The elastic properties and stability of fcc-Fe and fcc-FeNi alloys at inner-core conditions

SUMMARY The agreement between shear wave velocities for the Earth’s inner core observed from seismology with those derived from mineral physics is considerably worse than for any other region of the Earth. Furthermore, there is still debate as to the phase of iron present in the inner core, particularly when alloying with nickel and light elements is taken into account. To investigate the extent to which the mismatch between seismology and mineral physics is a function of either crystal structure and/or the amount of nickel present, we have used ab initio molecular dynamics simulations to calculate the elastic constants and seismic velocities (Vp and Vs) of face centred cubic (fcc) iron at Earth’s inner core pressures (360 GPa) and at temperatures up to ∼7000 K. We find that Vp for fcc iron (fcc-Fe) is very similar to that for hexagonal close packed (hcp) iron at all temperatures. In contrast, Vs for fcc-Fe is significantly higher than in hcp-Fe, with the difference increasing with increasing temperature; the difference between Vs for the core (from seismology) and Vs for fcc-Fe exceeds 40 per cent. These results are consistent with previous work at lower temperatures. We have also investigated the effect of 6.5 and 13 atm% Ni in fcc-Fe. We find that Ni only slightly reduces Vp and Vs (e.g. by 2 per cent in Vs for 13 atm% Ni at 5500 K), and cannot account for the difference between the velocities observed in the core and those of pure fcc-Fe. We also tried to examine pre-melting behaviour in fcc-Fe, as reported in hcp-Fe by extending the study to very high temperatures (at which superheating may occur). However, we find that fcc-Fe spontaneously transforms to other hcp-like structures before melting; two hcp-like structures were found, both of hexagonal symmetry, which may most easily be regarded as being derived from an hcp crystal with stacking faults. That the structure did not transform to a true hcp phase is likely as a consequence of the limited size of the simulation box (108 atoms). At 360 GPa, in pure fcc-Fe, we find that the transition from fcc to the hcp-like structure occurs at 7000 K, whereas in the Ni bearing system, the transition occurs at higher temperature (7250 K). This reinforces previous work showing that fcc-Fe might transform to hcp-Fe just before melting, and that Ni tends to stabilize the fcc structure with respect to hcp.

The fluid dynamics of inner-core growth

Aspherical growth of the inner core has been suggested as a mechanism to produce seismic anisotropy through alignment of crystal lattices. This mechanism is viable if the response to aspherical growth occurs by slow viscous deformation. The inner core can also respond by melting and solidification at the boundary if flow in the liquid core can redistribute latent heat over the surface. We use a numerical geodynamo model to quantitatively assess the process of melting and solidification, and find that the response to aspherical growth occurs primarily through phase transitions when the viscosity of the inner core is 1021Pas or higher. A lower inner-core viscosity favors viscous adjustment, but the associated stresses may be too low to produce substantial crystal alignment. Independent of the primary relaxation mechanism, we expect a persistent and large-scale flow of the liquid core over the surface of the inner core. The predicted flow should be large enough to affect the crystal orientation of hcp-iron alloys during solidification, yet the absence of detectable seismic anisotropy in the top 60–80km is suggestive. Either the mechanism of flow-induced alignment does not apply in the core or the intrinsic anisotropy of hcp iron at inner-core conditions is weak. Future seismological modeling using the predicted distribution of lattice preferred orientation might establish whether this texture is detectable with current observations.

High Poisson's ratio of Earth's inner core explained by carbon alloying

Earth’s core exhibits similar elastic properties to rubber. Experiments show that a high-pressure phase of iron carbide modifies iron’s elastic properties under inner-core conditions, suggesting that carbon is the light element in the core.

Deformation of directionally solidified alloys: Evidence for microstructural hardening of Earth's inner core?

The viscosity of Earth's inner core (IC) plays a key role in its dynamics, being important for understanding IC convection, translation, super-rotation, and development of elastic anisotropy. However, estimates for the viscosity of the IC range from 1013Pa·s to 1021Pa·s. One difficulty in estimating the viscosity is that it is not simply a material property, but it depends on the rheology, i.e., the deformation mechanism, which in turns depends on factors such as the temperature, stress, grain size, and microstructure. To examine the effects of microstructure we have carried out constant strain rate torsional deformation experiments on directionally solidified hexagonal close packed (hcp) Zn-rich Sn alloys at high homologous temperature and atmospheric pressure. The directionally solidified hcp Zn-rich Sn alloys have a microstructure that consists of large, columnar, textured crystals composed of dendrites. This microstructure has been proposed for the IC, and hcp Zn at atmospheric pressure serves as an analog for hcp iron under IC conditions, including a likely basal slip (0001) <12′10>, along with some prismatic slip (101’0) <12’10> associated with twinning. The measured torque (or stress, which is a function of the geometry and deformation mechanism, which in turn depends on the grain size) continues to increase past what one would expect for steady state deformation, indicative of hardening. We are yet unclear as to the origin of the hardening, but our hypothesis is that it may involve the relatively few slip systems available in hcp systems, and the large, textured grains of directionally solidified alloys, so that not all strains are easily accommodated by the available slip systems. The semi-brittle behavior of the alloy also supports this hypothesis. An inner core with a textured, columnar microstructure might therefore be harder than estimates of its shear strength might predict.

Strong Premelting Effect in the Elastic Properties of hcp-Fe Under Inner-Core Conditions

The observed shear-wave velocity VS in Earth's core is much lower than expected from mineralogical models derived from both calculations and experiments. A number of explanations have been proposed, but none sufficiently explain the seismological observations. Using ab initio molecular dynamics simulations, we obtained the elastic properties of hexagonal close-packed iron (hcp-Fe) at 360 gigapascals up to its melting temperature Tm. We found that Fe shows a strong nonlinear shear weakening just before melting (when T/Tm > 0.96), with a corresponding reduction in VS. Because temperatures range from T/Tm = 1 at the inner-outer core boundary to T/Tm ≈ 0.99 at the center, this strong nonlinear effect on VS should occur in the inner core, providing a compelling explanation for the low VS observed.

Earth's inner weakness

The way in which seismic waves pass through the core suggests alignment of iron crystals within the solid inner core. Experiments indicate that iron at inner-core conditions may be weaker than thought and easily allow deformation of iron crystals.

An ab initio molecular dynamics study of iron phases at high pressure and temperature

The crystal structure of iron, the major component of the Earth’s inner core (IC), is unknown for the IC high pressure (P; 3.3–3.6 Mbar) and temperature (T; 5000–7000 K). There is mounting evidence that the hexagonal close-packed (hcp) phase of iron, stable at the high P of the IC and a low T, might be unstable under the IC conditions due to the impact of high T and impurities. Experiments at the IC P and T are difficult and do not provide a conclusive answer as regards the iron stability at the pressure of the IC and temperatures close to the iron melting curve. Recent theory provides contradictory results regarding the nature of the stable Fe phase. We investigated the possibility of body-centered cubic (bcc) phase stabilization at the P and T in the vicinity of the Fe melting curve by using ab initio molecular dynamics. Thermodynamic calculations, relying on the model of uncorrelated harmonic oscillators, provide nearly identical free energies within the error bars of our calculations. However, direct simulation of iron crystallization demonstrates that liquid iron freezes in the bcc structure at the P of the IC and T = 6000 K. All attempts to grow the hcp phase from the liquid failed. The mechanism of bcc stabilization is explained. This resolves most of the earlier confusion.

Phase relations of iron–silicon alloys at high pressure and high temperature

The phase relations of Fe-6.4 wt% Si and Fe-9.9 wt% Si have been investigated up to 130 GPa and 2,600 K based on in situ synchrotron X-ray diffraction measurements in a laser-heated diamond-anvil cell along with chemical analysis of the quenched samples using a field-emission electron probe microanalyzer. We found that the maximum solubility of silicon in solid hcp-iron increases with increasing pressure. Linear extrapolation of the phase boundary between hcp + B2 and hcp phases for Fe-9.9 wt% Si suggests that the solid hcp-iron can include more than 9.9 wt% Si at the Earth’s inner-core conditions. If silicon is a major light element in the outer core, a substantial amount of silicon may be incorporated into the inner core during inner-core solidification.

The Environmental and Inner-Core Conditions Governing the Intensity of Hurricane Erin (2001)

Abstract The evolution of Hurricane Erin (2001) is presented from the perspective of its environmental and inner-core conditions, particularly as they are characterized in the Statistical Hurricane Intensity Prediction Scheme with Microwave Imagery (SHIPS-MI). Erin can be described as having two very distinct periods. The first, which occurred between 1 and 6 September 2001, was characterized by a struggling tropical storm failing to intensify as the result of unfavorable environmental and inner-core conditions. The surrounding environment during this period was dominated by moderate shear and mid- to upper-level dry air, both caused in some part by the presence of a Saharan air layer (SAL). Further intensification was inhibited by the lack of sustained deep convection and latent heating near the low-level center. The authors attribute this in part to negative effects from the SAL. The thermodynamic conditions associated with the SAL were not well sampled by the SHIPS parameters, resulting in substantial overforecasting by both SHIPS and SHIPS-MI. Instead, the hostile conditions surrounding Erin caused its dissipation on 6 September. The second period began on 7 September when Erin re-formed north of the original center. Erin began to pull away from the SAL and moved over 29°C sea surface temperatures, beginning a rapid intensification phase and reaching 105 kt by 1800 UTC 9 September. SHIPS-MI forecasts called for substantial intensification as in the previous period, but this time the model underestimated the rate of intensification. The addition of inner-core characteristics from passive microwave data improved the skill somewhat compared to SHIPS, but still left much room for improvement. For this period, it appears that the increasingly favorable atmospheric conditions caused by Erin moving away from the SAL were not well sampled by SHIPS or SHIPS-MI. As a result, the intensity change forecasts were not able to take into account the more favorable environment.

On the presence of liquid in Earth's inner core

Seismological studies indicate that the inner core of Earth is anisotropic for compressional waves (P waves), and has low shear wave (S wave) velocity, and high seismic attenuation. Using an effective medium theory for composite materials, we show that the presence of a volume fraction of 3 to 10% liquid in the form of oblate spheroidal inclusions aligned in the equatorial plane between iron crystals is sufficient to explain the aforementioned seismic phenomena. Variation of S-wave velocity between the polar axis and equatorial plane is more sensitive to the addition of liquid than that of P waves. The liquid could arise from the presence of dendrites or a mixture of elements other than iron that exist in liquid form under inner-core conditions.