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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Th2(FeNi)5 by Materials Project

Th2(FeNi)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 6-coordinate geometry to six Fe and twelve Ni atoms. There are four shorter (2.91 Å) and two longer (2.92 Å) Th–Fe bond lengths. There are eight shorter (3.20 Å) and four longer (3.22 Å) Th–Ni bond lengths. In the second Th site, Th is bonded in a 6-coordinate geometry to ten Fe and eight equivalent Ni atoms. There are a spread of Th–Fe bond distances ranging from 2.87–3.22 Å. All Th–Ni bond lengths are 3.20 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Th, two equivalent Fe, and four equivalent Ni atoms. Both Fe–Fe bond lengths are 2.44 Å. All Fe–Ni bond lengths are 2.49 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Th and six Ni atoms. There are four shorter (2.46 Å) and two longer (2.47 Å) Fe–Ni bond lengths. In the third Fe site, Fe is bonded to four equivalent Th, four equivalent Fe, and four equivalent Ni atoms to form distorted FeTh4Fe4Ni4 cuboctahedra that share corners with four equivalent FeTh4Fe4Ni4 cuboctahedra, corners with twelve NiTh4Fe5Ni3 cuboctahedra, edges with two equivalent FeTh4Fe4Ni4 cuboctahedra, edges with eight equivalent NiTh4Fe5Ni3 cuboctahedra, faces with two equivalent FeTh4Fe4Ni4 cuboctahedra, and faces with eight equivalent NiTh4Fe5Ni3 cuboctahedra. All Fe–Ni bond lengths are 2.51 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Th, four equivalent Fe, and four equivalent Ni atoms to form distorted NiTh4Fe4Ni4 cuboctahedra that share corners with four equivalent FeTh4Fe4Ni4 cuboctahedra, corners with twelve NiTh4Fe5Ni3 cuboctahedra, edges with ten NiTh4Fe5Ni3 cuboctahedra, and faces with ten NiTh4Fe4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the second Ni site, Ni is bonded to four Th, five Fe, and three Ni atoms to form distorted NiTh4Fe5Ni3 cuboctahedra that share corners with two equivalent FeTh4Fe4Ni4 cuboctahedra, corners with fourteen NiTh4Fe4Ni4 cuboctahedra, edges with two equivalent FeTh4Fe4Ni4 cuboctahedra, edges with eight NiTh4Fe4Ni4 cuboctahedra, faces with two equivalent FeTh4Fe4Ni4 cuboctahedra, and faces with eight NiTh4Fe4Ni4 cuboctahedra. There are one shorter (2.50 Å) and one longer (2.54 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Oxygen vacancy-rich amorphous FeNi hydroxide nanoclusters as an efficient electrocatalyst for water oxidation

Here, a one-pot strategy is presented to directly synthesize amorphous Fe x Ni y hydroxide nanoclusters (denoted as ANC-Fe x Ni y , <2 nm) with oxygen vacancies induced by ionic liquids. The ANC-Fe x Ni y catalyst presents abundant catalytic sites and high intrinsic conductivity. As such, the optimized ANC-Fe 1 Ni 2 exhibits high activity in oxygen evolution reaction (OER) with a Tafel slope of 39 mV dec –1 and an overpotential of 266 mV at 10 mA cm –2 . Notably, the optimized ANC-Fe 1 Ni 2 shows an extraordinarily large mass activity of 3028 A g FeNi –1 at the overpotential of 300 mV, which is ~24-fold of commercial RuO 2 catalyst. The superior activity of these Fe x Ni y hydroxide nanoclusters is ascribed to (i) the amorphous and distorted structure with abundant oxygen vacancies, and (ii) enhanced active site density by downsizing the ANC-Fe x Ni y clusters. This strategy provides a novel route for enhancing OER electrocatalytic performance and highly encouraging for the future application of amorphous metal hydroxides in catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Revisiting Néel 60 years on: The magnetic anisotropy of L1 0 FeNi (tetrataenite)

The magnetocrystalline anisotropy energy of atomically ordered L1 0 FeNi (the meteoritic mineral tetrataenite) is studied within a first-principles electronic structure framework. Two compositions are examined: equiatomic Fe 0.5 Ni 0.5 and an Fe-rich composition, Fe 0.56 Ni 0.44 . It is confirmed that, for the single crystals modeled in this work, the leading-order anisotropy coefficient K 1 dominates the higher-order coefficients K 2 and K 3 . To enable comparison with experiment, the effects of both imperfect atomic long-range order and finite temperature are included. While our computational results initially appear to undershoot the measured experimental values for this system, careful scrutiny of the original analysis due to Néel et al. [J. Appl. Phys. 35, 873 (1964)] suggests that our computed value of K 1 is, in fact, consistent with experimental values, and that the noted discrepancy has its origins in the nanoscale polycrystalline, multivariant nature of experimental samples, that yields much larger values of K 2 and K 3 than expected a priori. These results provide fresh insight into the existing discrepancies in the literature regarding the value of tetrataenite’s uniaxial magnetocrystalline anisotropy in both natural and synthetic samples.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetostrictive loss reduction through stress relief annealing in an FeNi-based metal amorphous nanocomposite

FeNi-based metal amorphous nanocomposite alloys are emerging soft magnetic materials with promise for high-speed motor applications. Here we demonstrate a technique to optimize magnetic properties in toroidal cores wound from strain annealed (Fe 70 Ni 30 ) 80 Nb 4 Si 2 B 14 amorphous metal ribbon (AMR). In-line strain annealing (SA) of the AMR yields a strip permeability that monotonically decreases with increasing SA tensions. After winding into toroidal cores, dramatic changes in magnetic properties are observed and determined to be of magnetostrictive origin. A procedure to re-anneal wound toroidal cores to reduce hysteresis and reverse magnetostrictive effects is developed inclusive of casting curvature effects. Here, we investigate re-annealing temperatures between 300 – 470 °C for cores produced from each SA condition. Magnetic core loss, W L , coercivity, H c , squareness ratio, K r , and permeability, µ r , are measured as a function of (stress relief) re-annealing temperature to optimally achieve W 1T,400Hz = 0.51 W/kg, H c = 2.42 A/m, K r = 0.22, and µ r = 35,300.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ultrafast Preparation of Nonequilibrium FeNi Spinels by Magnetic Induction Heating for Unprecedented Oxygen Evolution Electrocatalysis

Carbon-supported nanocomposites are attracting particular attention as high-performance, low-cost electrocatalysts for electrochemical water splitting. These are mostly prepared by pyrolysis and hydrothermal procedures that are time-consuming (from hours to days) and typically difficult to produce a nonequilibrium phase. Herein, for the first time ever, we exploit magnetic induction heating-quenching for ultrafast production of carbon-FeNi spinel oxide nanocomposites (within seconds), which exhibit an unprecedentedly high performance towards oxygen evolution reaction (OER), with an ultralow overpotential of only +260 mV to reach the high current density of 100 mA cm -2 . Experimental and theoretical studies show that the rapid heating and quenching process (ca. 10 3 K s -1 ) impedes the Ni and Fe phase segregation and produces a Cl-rich surface, both contributing to the remarkable catalytic activity. Results from this study highlight the unique advantage of ultrafast heating/quenching in the structural engineering of functional nanocomposites to achieve high electrocatalytic performance towards important electrochemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Recycling of volatiles at subduction zones: Noble gas evidence from the Tabar-Lihir-Tanga-Feni arc of papua New Guinea

Convergent margin processes play an important but poorly understood role in the distribution of terrestrial volatile species. For example, subduction processes filter volatiles from the subducting package, thereby restricting their return to the mantle. In addition, once extracted from the downgoing slab, volatiles become an essential component in the petrogenesis of island arc magmas. The noble gases, with their systematic variation in physical properties and diversity of radiogenic isotopes, should carry a uniquely valuable record of these processes. However, thus far studies of noble gases in arc volcanics have achieved only limited success in this regard. Subduction-related lavas and geothermal fluids carry (3)He/(4)He ratios equal to or slightly lower than those found in the depleted upper mantle source of mid-ocean ridge basalts. Apparently slab-derived helium (which should have (3)He/(4)He much less than MORB) is extensively diluted by MORB-like helium from the mantle wedge, making it difficult to use helium as a tracer of convergent margin processes. Interpretation of the heavier noble gases (Ne-Ar-Kr-Xe) in arc lavas has also proven difficult, because the lavas carry low noble gas concentrations and hence are subject to pervasive atmospheric contamination. The low noble gas concentrations may be a consequence of degassing in the high level magma chambers characteristic of arc stratovolcanos. We have recently initiated a project to better constrain the behavior of volatiles in subduction zones through geochemical studies of the tectonically unusual volcanoes of the Tabar-Lihir-Tanga-Feni (TLTF) arc in the Bismarck Archipelago, Papua New Guinea.

Farley, Kenneth↗
DOE OSTI2020

Materials Data on FeNi by Materials Project

NiFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe and eight equivalent Ni atoms to form FeFe4Ni8 cuboctahedra that share corners with twelve equivalent FeFe4Ni8 cuboctahedra, edges with eight equivalent FeFe4Ni8 cuboctahedra, edges with sixteen equivalent NiFe8Ni4 cuboctahedra, faces with eight equivalent NiFe8Ni4 cuboctahedra, and faces with ten equivalent FeFe4Ni8 cuboctahedra. All Fe–Fe bond lengths are 2.51 Å. All Fe–Ni bond lengths are 2.52 Å. Ni is bonded to eight equivalent Fe and four equivalent Ni atoms to form NiFe8Ni4 cuboctahedra that share corners with twelve equivalent NiFe8Ni4 cuboctahedra, edges with eight equivalent NiFe8Ni4 cuboctahedra, edges with sixteen equivalent FeFe4Ni8 cuboctahedra, faces with eight equivalent FeFe4Ni8 cuboctahedra, and faces with ten equivalent NiFe8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeNi by Materials Project

NiFe is alpha La-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Fe and six equivalent Ni atoms to form FeFe6Ni6 cuboctahedra that share corners with twelve FeFe6Ni6 cuboctahedra, edges with twelve FeFe6Ni6 cuboctahedra, edges with twelve equivalent NiFe6Ni6 cuboctahedra, faces with six equivalent FeFe6Ni6 cuboctahedra, and faces with twelve equivalent NiFe6Ni6 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å. All Fe–Ni bond lengths are 2.53 Å. In the second Fe site, Fe is bonded to six equivalent Fe and six Ni atoms to form FeFe6Ni6 cuboctahedra that share corners with five equivalent NiFe6Ni10 cuboctahedra, corners with twelve FeFe6Ni6 cuboctahedra, edges with ten NiFe6Ni6 cuboctahedra, edges with twelve FeFe6Ni6 cuboctahedra, faces with six equivalent FeFe6Ni6 cuboctahedra, and faces with fifteen NiFe6Ni6 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å. All Fe–Ni bond lengths are 2.53 Å. In the third Fe site, Fe is bonded to six equivalent Fe and six Ni atoms to form FeFe6Ni6 cuboctahedra that share corners with five equivalent NiFe6Ni10 cuboctahedra, corners with twelve FeFe6Ni6 cuboctahedra, edges with ten NiFe6Ni6 cuboctahedra, edges with twelve FeFe6Ni6 cuboctahedra, faces with six equivalent FeFe6Ni6 cuboctahedra, and faces with fifteen NiFe6Ni6 cuboctahedra. All Fe–Fe bond lengths are 2.52 Å. All Fe–Ni bond lengths are 2.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six Fe and six equivalent Ni atoms to form NiFe6Ni6 cuboctahedra that share corners with twelve NiFe6Ni6 cuboctahedra, edges with twelve FeFe6Ni6 cuboctahedra, edges with twelve NiFe6Ni6 cuboctahedra, faces with six equivalent NiFe6Ni6 cuboctahedra, and faces with twelve FeFe6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded to six Fe and ten equivalent Ni atoms to form NiFe6Ni10 cuboctahedra that share corners with ten FeFe6Ni6 cuboctahedra, corners with twelve NiFe6Ni6 cuboctahedra, edges with eight FeFe6Ni6 cuboctahedra, edges with sixteen NiFe6Ni6 cuboctahedra, faces with sixteen equivalent NiFe6Ni10 cuboctahedra, and faces with eighteen FeFe6Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–5.03 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeNi by Materials Project

NiFe crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Fe is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Ni atoms. All Fe–Fe bond lengths are 2.45 Å. All Fe–Ni bond lengths are 2.44 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeNi(PO4)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2023

Strength distributions of laminated FeNi-based metal amorphous nanocomposite ribbons

Metal Amorphous Nanocomposite (MANC) materials offer low losses at high magnetic switching frequency, enabling high power density motors with increased rotational speed. While MANCs have high strength, they are brittle. The use of motor components such as a rotor consisting of brittle material presents a reliability concern. Here, a promising MANC alloy is subjected to tensile tests and failure is observed with high-speed photography. A method is developed to prepare tensile specimens of laminated MANC and epoxy layers, simulating the stacking of an epoxy-impregnated tape-wound core. Tensile tests are conducted for single layer ribbon and for five- and ten-layer stacks of laminated material with thin layers of thermosetting epoxy. Failure distributions are shown to have increasing Weibull modulus with increasing layer count. The composite MANC material system is modeled using chain-of-bundles models. Using a k-failure model, we show that single ribbon strength distribution data can be used to predict well the failure distribution of laminated stacks. The agreement occurs when the assumed ineffective length, over which load is recovered in a failed layer, is comparable to the observed interlaminar separation length.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2000

Comparative FeNi and Silicate Chronology in Portales Valley

Re-Os and U-Pb data on Portales Valley suggest an early formation for the metal and silicates. These two chronometers and Rb-Sr and Sm-Nd require a young disturbance. This is inconsistent with the 39 Ar-40 Ar age and in need of clarification.

Chen, J. H.↗