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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

The high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study represents the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.

36 MATERIALS SCIENCE↗

Probing iron at Super-Earth core conditions

In this paper, we report on the quasi-isentropic compression of an iron sample using ramp shaped laser irradiation. This technique allows us to quasi-isentropically compress iron up to 700 GPa and 8500 K. To our knowledge, these data are the highest pressures reached on iron in off-Hugoniot conditions and the closest to the thermodynamic states thought to exist in Earth-like planetary cores. The experiment was performed on the Ligne d'Intégration laser facility at CESTA, Bordeaux, France.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Measuring the melting curve of iron at super-Earth core conditions

The discovery of more than 4500 extrasolar planets has created a need for modeling their interior structure and dynamics. Given the prominence of iron in planetary interiors, we require accurate and precise physical properties at extreme pressure and temperature. A first-order property of iron is its melting point, which is still debated for the conditions of Earth’s interior. Here, we used high-energy lasers at the National Ignition Facility and in situ x-ray diffraction to determine the melting point of iron up to 1000 gigapascals, three times the pressure of Earth’s inner core. We used this melting curve to determine the length of dynamo action during core solidification to the hexagonal close-packed (hcp) structure. We find that terrestrial exoplanets with four to six times Earth’s mass have the longest dynamos, which provide important shielding against cosmic radiation.

58 GEOSCIENCES↗

Solid Iron Compressed Up to 560 GPa [Fe at Earth core conditions probed by EXAFS]

Dynamic compression by multiple shocks is used to compress iron up to 560 GPa (5.6 Mbar), the highest solid-state pressure yet attained for iron in the laboratory. Extended x-ray absorption fine structure (EXAFS) spectroscopy offers simultaneous density, temperature, and local-structure measurements for the compressed iron. The data show that the close-packed structure of iron is stable up to 560 GPa, the temperature at peak compression is significantly higher than expected from pure compressive work, and the dynamic strength of iron is many times greater than the static strength based on lower pressure data. The results provide the first constraint on the melting line of iron above 400 GPa.

36 MATERIALS SCIENCE↗

The carbon content of Earth and its core

Earth’s core is likely the largest reservoir of carbon (C) in the planet, but its C abundance has been poorly constrained because measurements of carbon’s preference for core versus mantle materials at the pressures and temperatures of core formation are lacking. Using metal–silicate partitioning experiments in a laser-heated diamond anvil cell, we show that carbon becomes significantly less siderophile as pressures and temperatures increase to those expected in a deep magma ocean during formation of Earth’s core. Based on a multistage model of core formation, the core likely contains a maximum of 0.09(4) to 0.20(10) wt% C, making carbon a negligible contributor to the core’s composition and density. However, this accounts for ~80 to 90% of Earth’s overall carbon inventory, which totals 370(150) to 740(370) ppm. The bulk Earth’s carbon/sulfur ratio is best explained by the delivery of most of Earth’s volatiles from carbonaceous chondrite-like precursors.

Geosciences↗

High–Pressure Deformation of Iron–Nickel–Silicon Alloys and Implications for Earth’s Inner Core

Earth’s inner core exhibits strong seismic anisotropy, often attributed to the alignment of hexagonal close-packed iron (hcp-Fe) alloy crystallites with the Earth’s poles. How this alignment developed depends on material properties of the alloy and is important to our understanding of the core’s crystallization history and active geodynamical forcing. Previous studies suggested that hcp-Fe is weak under deep Earth conditions but did not investigate the effects of the lighter elements known to be part of the inner core alloy. Here, we present results from radial X-ray diffraction experiments in a diamond anvil cell that constrain the strength and deformation properties of iron-nickel-silicon (Fe–Ni–Si) alloys up to 60 GPa. We also show the results of laser heating to 1650 K to evaluate the effect of temperature. Observed alloy textures suggest different relative activities of the various hcp deformation mechanisms compared to pure Fe, but these textures could still account for the theorized polar alignment. Fe–Ni–Si alloys are mechanically stronger than Fe and Fe–Ni; extrapolated to inner core conditions, Si-bearing alloys may be more than an order of magnitude stronger. Furthermore, this enhanced strength proportionally reduces the effectivity of dislocation creep as a deformation mechanism, which may suggest that texture developed during crystallization rather than as the result of postsolidification plastic flow.

36 MATERIALS SCIENCE↗

Elastic and magnetic properties of Fe 3 P up to core pressures: Phosphorus in the Earth's core

Phosphorus (P) is considered a possible light element alloying with iron (Fe) in the Earth's core due to its siderophile nature and the ubiquity of P-bearing iron alloys in iron meteorites. The sequestration of P by liquid metals during the core formation possibly results in the relatively low concentration of P in the bulk silicate Earth. Here, we performed single-crystal and powder X-ray diffraction, synchrotron Mossbauer spectroscopy and nuclear resonant inelastic X-ray scattering measurements in diamond anvil cells to investigate the elastic and magnetic properties of Fe 3 P under high pressures. Our X-ray diffraction results suggest that there is no structural phase transition up to 111 GPa. However, a volume collapse was observed at 21.5 GPa in Fe 3 P, ascribed to a magnetic transition as evidenced by synchrotron Mhssbauer spectroscopy results. Fitting the volume-pressure data by the Birch-Murnaghan equation of state gives bulk modulus $K_{T0}$ = 162.4(7) GPa, its first pressure derivative $K'_{T0}$ = 4.0 (fixed) and zeropressure volume $V_0$ = 370.38(6) Å 3 for the magnetic phase and $K_{T0}$ = 220(7) GPa, $K'_{T0}$ = 4.0 (fixed) and $V_0$ = 357(1) Å 3 for the non-magnetic phase. Sound velocities of Fe 3 P were determined up to 152 GPa by nuclear resonant inelastic X-ray scattering, demonstrating that Fe 3 P bears a low shear velocity and high Poisson's ratio at core pressures compared to Fe and Fe 3 S. When forming a solid solution Fe 3 (S,P) with Fe 3 S at core pressures, Fe 3 P may favorably influence the elastic properties of Fe 3 (S,P) to match the seismic observations of the inner core.

58 GEOSCIENCES↗

Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures

Abstract Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe–O, Mg–O, and Fe–Mg binary systems under pressure have been investigated, there are still very few studies of the Fe–Mg–O ternary system at relevant Earth’s core and super-Earth’s mantle pressures. Here, we use the adaptive genetic algorithm (AGA) to study ternary Fe x Mg y O z phases in a wide range of stoichiometries at 200 GPa and 350 GPa. We discovered three dynamically stable phases with stoichiometries FeMg 2 O 4 , Fe 2 MgO 4, and FeMg 3 O 4 with lower enthalpy than any known combination of Fe–Mg–O high-pressure compounds at 350 GPa. With the discovery of these phases, we construct the Fe–Mg–O ternary convex hull. We further clarify the composition- and pressure-dependence of structural motifs with the analysis of the AGA-found stable and metastable structures. Analysis of binary and ternary stable phases suggest that O, Mg, or both could stabilize a BCC iron alloy at inner core pressures.

Wang, Renhai↗

Equation of state and phase diagram of Fe-16Si alloy as a candidate component of Earth's core

The outer core of the Earth contains several weight percent of one or more unknown light elements, which may include silicon. Therefore it is critical to understand the high pressure–temperature properties and behavior of an iron–silicon alloy with a geophysically relevant composition (16 wt% silicon). We experimentally determined the melting curve, subsolidus phase diagram, and equations of state of all phases of Fe–16 wt%Si to 140 GPa, finding a conversion from the D0 3 crystal structure to a B2+hcp mixture at high pressures. The melting curve implies that 3520 K is a minimum temperature for the Earth's outer core, if it consists solely of Fe–Si alloy, and that the eutectic composition in the Fe–Si system is less than 16 wt% silicon at core–mantle boundary conditions. Comparing our new equation of state to that of iron and the density of the core, we find that for an Fe–Ni–Si outer core, 11.3±1.5 wt% silicon would be required to match the core's observed density at the core–mantle boundary. We have also performed first-principles calculations of the equations of state of Fe 3 Si with the D0 3 structure, hcp iron, and FeSi with the B2 structure using density-functional theory.

Fischer, Rebecca A↗

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth’s Core Thermodynamic Conditions

In this study, using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe(Fe ,Fe/Ni) 3 and XeNi 3 compounds at thermodynamic conditions representative of Earth’s core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. In conclusion, the results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Water‐Induced Diamond Formation at Earth's Core‐Mantle Boundary

Abstract The carbon and water cycles in the Earth's interior are linked to key planetary processes, such as mantle melting, degassing, chemical differentiation, and advection. However, the role of water in the carbon exchange between the mantle and core is not well known. Here, we show experimental results of a reaction between Fe 3 C and H 2 O at pressures and temperatures of the deep mantle and core‐mantle boundary (CMB). The reaction produces diamond, FeO, and FeH x , suggesting that water can liberate carbon from the core in the form of diamond (“core carbon extraction”) while the core gains hydrogen, if subducted water reaches to the CMB. Therefore, Earth's deep water and carbon cycles can be linked. The extracted core carbon can explain a significant amount of the present‐day mantle carbon. Also, if diamond can be collected by mantle flow in the region, it can result in unusually high seismic‐velocity structures.

Ko, Byeongkwan↗

Phase relations of Fe 3 C and Fe 7 C 3 up to 185 GPa and 5200 K: Implication for the stability of iron carbide in the Earth's core

We have investigated phase relations and melting behavior of Fe 3 C and Fe 7 C 3 using X-ray diffraction in a laser-heated diamond cell up to 185 GPa and 5200 K. Our results show that the starting Fe 3 C sample decomposes into a mixture of solid orthorhombic Fe 7 C 3 and hcp-Fe at above 145 GPa upon laser heating and then transforms into Fe-C liquid and solid Fe 7 C 3 at temperatures above 3400 K. Using the intensity of the diffuse scattering as a primary criteria for detecting melting, the experimentally derived liquidus for a bulk composition of Fe 3 C fitted with the Simon-Glatzel equation is T m (K) = 1800 × [1 + (P m -5.7)/15.10 ± 2.55] 1/2.41 ± 0.17 at 24–185 GPa, which is ~500 K higher than the melting curve of iron reported by Anzellini et al. (2013) at Earth's core pressures. The higher melting point and relative stability of Fe 7 C 3 in Fe-rich Fe-C system at Earth's core conditions indicate that Fe 7 C 3 could solidify out of the early Earth's molten core to become a constituent of the innermost inner core.

58 GEOSCIENCES↗

Probing iron in Earth’s core with molecular-spin dynamics

Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein, a machine-learned ab initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements. In addition, a unique coupling of MSD with time-dependent density functional theory enables gauging electronic transport properties, critically important for resolving geodynamo dynamics.

58 GEOSCIENCES↗

The Lithophile Element Budget of Earth's Core

Abstract The relative composition of Earth's core and mantle were set during core formation. By determining how elements partition between metal and silicate at high pressures and temperatures, measurements of the mantle composition and geophysical observations of the core can be used to understand the mechanisms by which Earth formed. Here we present the results of metal‐silicate partitioning experiments for a range of nominally lithophile elements (Al, Ca, K, Mg, O, Si, Th, and U) and S to 85 GPa and up to 5400 K. With our results and a compilation of literature data, we developed a parameterization for partitioning that accounts for compositional dependencies in both the metal and silicate phases. Using this parameterization in a range of planetary growth models, we find that, in general, lithophile element partitioning into the metallic phase is enhanced at high temperatures. The relative abundances of FeO, SiO 2 , and MgO in the mantle vary significantly between planetary growth models, and the mantle abundances of these elements can be used to provide important constraints on Earth's accretion. To match Earth's core mass and mantle composition, Earth's building blocks must have been enriched in Fe and depleted in Si compared with CI chondrites. Finally, too little Mg, Si, and O are partitioned into the core for precipitation of oxides to be a major source of energy for the geodynamo. In contrast, several ppb of U can be partitioned into the core at high temperatures, and this energy source must be accounted for in thermal evolution models.

Chidester, B. A.↗