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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Geomorphic Terrains and Evidence for Ancient Volcanism within Northeastern South Pole-Aitken Basin

The interior of the enigmatic South Pole-Aitken Basin has long been recognized as being compositionally distinct from its exterior. However, the source of the compositional anomaly has been subject to some debate. Is the source of the iron-enhancement due to lower-crustal/upper-mantle material being exposed at the surface, or was there some volume of ancient volcanism that covered portions of the basin interior? While several obvious mare basalt units are found within the basin and regions that appear to represent the original basin interior, there are several regions that appear to have an uncertain origin. Using a combination of Clementine and Lunar Orbiter images, several morphologic units are defined based on albedo, crater density, and surface roughness. An extensive unit of ancient mare basalt (cryptomare) is defined and, based on the number of superimposed craters, potentially represents the oldest volcanic materials within the basin. Thus, the overall iron-rich interior of the basin is not solely due to deeply derived crustal material, but is, in part due to the presence of ancient volcanic units.

Petro, Noah↗
DOE OSTI2025

Effects of iron carbide crystal phases and dopants on the conversions of CO 2 into ethylene

The density functional theory method was used to investigate the conversions of CO 2 to ethylene formation on two common iron carbide surfaces: Fe 3 C(0 1 0) and Fe 5 C 2 (1 1 1). Based on the structure relaxation of reaction intermediates and the elementary reaction transition states. We deduced the most competitive reaction pathways for ethylene production. The main CO 2 -to-ethylene routes and the competition of side products, CO and CH 4 , are discussed. Our analyses showed that CO 2 conversion is surface structure sensitive, whereas CH 4 and C2+ hydrocarbon formations depend on the reactivity of native C atoms in the carbides. To modify the intrinsic catalyst performance, mixing dopants in Fe catalysts is an effective strategy. Furthermore, we demonstrate that doping Zn and Zr can alter the local electronic structure and enhance CO 2 adsorption on the catalyst surface.

CO2 hydrogenation↗
DOE OSTI2016

Study of Swift/BAT selected low-luminosity active galactic nuclei observed with Suzaku

We systematically analyze the broadband (0.5–200 keV) X-ray spectra of hard X-ray (>10 keV) selected local low-luminosity active galactic nuclei (LLAGNs) observed with Suzaku and Swift/BAT. The sample consists of 10 LLAGNs detected with Swift/BAT with intrinsic 14–195 keV luminosities smaller than 10{sup 42} erg s{sup −1} available in the Suzaku archive, covering a wide range of the Eddington ratio from 10{sup −5} to 10{sup −2}. The overall spectra can be reproduced with an absorbed cut-off power law, often accompanied by reflection components from distant cold matter, and/or optically thin thermal emission from the host galaxy. In all of the objects, relativistic reflection components from the innermost disk are not required. Eight objects show a significant narrow iron-Kα emission line. Comparing their observed equivalent widths with the predictions from the Monte-Carlo-based torus model by Ikeda et al. (2009), we constrain the column density in the equatorial plane to be log N{sub H}{sup eq}>22.7, or the torus half-opening angle θ {sub oa} < 70°. We infer that the Eddington ratio (λ {sub Edd}) is a key parameter that determines the torus structure of LLAGNs: the torus becomes large at λ {sub Edd} ≳ 2 × 10{sup −4}, whereas at lower accretion rates it is little developed. The luminosity correlation between the hard X-ray and mid-infrared (MIR) bands of the LLAGNs follows the same correlation as for more luminous AGNs. This implies that mechanisms other than AGN-heated dust are responsible for the MIR emission in low Eddington ratio LLAGNs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Improving the Representation of Soluble Iron in Climate Models

Mineral dust produced in the arid and semi-arid regions of the world is the dominant source of iron (Fe) in atmospheric aerosol inputs to the open ocean. The bioavailable Fe fraction of atmospheric dust is thought to regulate and occasionally limit the primary productivity in large oceanic regions, which influences the CO2 uptake from the atmosphere affecting the Earth’s climate. Because Fe bioavailability cannot be directly measured, it is assumed that the dissolved Fe or highly reactive Fe in the dust is bioavailable. The fraction of soluble Fe in dust is mainly controlled by: (1) the mineral composition of the soils and the emitted dust from the source areas; (2) the atmospheric processing that converts the Fe in Fe-bearing minerals into highly soluble forms of Fe. The project has mainly focused on constraining the mineral composition of dust aerosols (1), a previously neglected, yet a key issue to constrain the deposition of soluble iron. Deriving aerosol mineral composition requires global knowledge of the soil mineral content, which is available from poorly constrained global atlases. In addition, the mineral content of the emitted aerosol differs from that of the parent soil. Measurements of soil mineral fractions are based upon wet sedimentation (or ’wet sieving’) techniques that disturb the soil sample, breaking aggregates that are found in the original, undispersed soil that is subject to wind erosion. Wet sieving alters the soil size distribution, replacing aggregates that are potentially mobilized as aerosols with a collection of smaller particles. A major challenge is to derive the size-distributed mineral fractions of the emitted dust based upon their fractions measured from wet-sieved soils. Finally, representations of dust mineral composition need to account for mixtures of minerals. Examination of individual particles shows that iron, an element that is central to many climate processes, is often found as trace impurities of iron oxide attached to aggregates of other minerals. This is another challenge that has been tackled by the project. The project has produced a major step forward on our understanding of the key processes needed to predict the mineral composition of dust aerosols by connecting theory, modeling and observations. The project has produced novel semi-empirical and theoretical methods to estimate the emitted size distribution and mineral composition of dust aerosols. These methods account for soil aggregates that are potentially emitted from the original undisturbed soil but are destroyed during wet sieving. The methods construct the emitted size distribution of individual minerals building upon brittle fragmentation theory, reconstructions of wet-sieved soil mineral size distributions, and/or characteristic mineral size distributions estimated from observations at times of high concentration. Based on an unprecedented evaluation with a new global compilation of observations produced with the project support, we showed that the new methods remedy some key deficiencies compared to the previous state-of-the-art. This includes the correct representation of Fe-bearing phyllosilicates at silt sizes, where they are abundant according to observations. In addition, the quartz fraction of silt particles is in better agreement with measured values. In addition, we represent an additional class of iron oxide aerosol that is a small impurity embedded within other minerals, allowing it to travel farther than in its pure crystalline state. We assume that these impurities are least frequent in soils rich in iron oxides (as a result of the assumed effect of weathering that creates pure iron oxide crystals). The mineral composition of dust is also important to other interaction with climate - through shortwave absorption and radiative forcing, nucleation of cloud droplets and ice crystals, and the heterogeneous formation of sulfates and nitrates - and to its impacts upon human health. Despite the importance of mineral composition, models have typically assumed that soil dust aerosols have globally uniform composition. The results of this project will allow an improved estimation of the dust effects upon climate and health.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

The use of iron and extended applications of the University of Virginia Cold Balance Wind Tunnel System

The prototype design of the University of Virginia Cold Magnetic Balance Wind Tunnel System, primarily for assured performance, is based on the use of ferrites for the magnetic support element and for the case of spinning missile configurations in supersonic flow. The extension of applicability to noncontinuously spinning airplane configurations and to subsonic flow regimes would be highly desirable. The problems involved in these extensions are discussed. The possible use of iron for the magnetic support element, or some material reasonable equivalent, is found to be crucial. The existing theoretical evidence that iron may be used without penalty is summarized.

Parker, H. M.↗
DOE OSTI2017

Method for Accurate Determination of the Electron Contribution: Specific Heat of Ba 0.59 K 0.41 Fe 2 As 2

Twenty two years after the opening of the field of high temperature superconductivity by Georg Bednorz and Alex Müller a new addition to this class of materials, namely the iron-pnictides and chalcogenides, perplexes the scientific community. Making use of the accumulated wisdom, a great deal of their physics has been “mapped” in record time using all available measurement techniques. Among these, specific-heat has been proven a powerful and unique technique in the study of physical properties of bulk materials, especially of superconductors. We report here specific-heat measurements on the nearly optimally doped iconic iron-arsenide superconductor Ba 0.59 K 0.41 Fe 2 As 2 . We use a new method, based on direct comparisons of α-model expressions for the electron contribution with the measured total specific heat, to extract the electron contribution. It circumvents the need in the conventional analyses for an independent, necessarily approximate, determination of the lattice contribution, which is subtracted from the total to obtain the electron contribution, and it eliminates the consequent uncertainties in the electron contribution. For Ba 0.59 K 0.41 Fe 2 As 2 the electron density of states is comprised of contributions from two electron bands with superconducting-state energy gaps differing by a factor 3.8, with 77% coming from the band with the larger gap. The vortex-state specific heat suggests nodeless gaps. Comparison of the normal-state density of states with band-structure calculations shows an extraordinarily large effective mass enhancement, for which there is no precedent in simple metals and no theoretical explanation.

Conventional Analysis↗
DOE OSTI2024

Bioelectrochemical reactor to manage anthropogenic sulfate pollution for freshwater ecosystems: Mathematical modeling and experimental validation

Anthropogenic sulfate loading into otherwise low-sulfate freshwater systems can cause significant ecological consequences as a biogeochemical stressor. To address this challenge, in situ bioremediation technologies have been developed to leverage naturally occurring microorganisms that transform sulfate into sulfide rather than implementing resource-intensive physio-chemical processes. However, bioremediation technologies often require the supply of electron donors to facilitate biological sulfate reduction. Bioelectrochemical systems (BES) can be an alternative approach for supplying molecular hydrogen as an electron donor for sulfate-reducing bacteria through water electrolysis. Although the fundamental mechanisms behind BESs have been studied, limited research has evaluated the design and operational parameters of treatment systems when developing BESs on a scale relevant to environmental systems. Further, this study aimed to develop an application-based mathematical model to evaluate the performance of BESs across a range of reactor configurations and operational modes. The model was based on sulfate transformation by hydrogenotrophic sulfate-reducing bacteria coupled with the recovery of solid iron sulfide species formed by the oxidative dissolution of dissolved ferrous iron from a stainless steel anode. Sulfate removal closely corresponded to the rate of electrolytic hydrogen production and hydraulic residence time but was less sensitive to specific microbial rate constants. The mathematical model results were compared to experimental data from a pilot-scale BES tested with nonacidic mine drainage as a case study. The close agreement between the mathematical model and the pilot-scale BES experiment highlights the efficacy of using a mathematical model as a tool to develop a conceptual design of a scaled-up treatment system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Structure-property relationship of graphene coupled metal (Ni, Co, Fe) (oxy)hydroxides for efficient electrochemical evolution of oxygen

Design of high-efficiency electrocatalysts for the oxygen evolution reaction (OER) is critical to meet future energy demands. A series of heterogeneous electrocatalysts based on graphene coupled mixed-metal (oxy)hydroxides containing specific concentrations of nickel, cobalt, and iron were synthesized to investigate the influence of metal composition on the structure, properties, and activities for OER. The addition of iron led to isolated metal (oxy)hydroxide sheets from a few hundred nanometers to less than 5 nm, leading to a high surface area. The increased d -spacing between layers of hydroxide and abundant hydroxyl groups adsorbed on the surface of the electrocatalysts contribute to better catalytic performance as displayed by the remarkable improvement in Tafel slopes. In addition, the presence of cobalt and nickel can aid in lowering the onset potential of OER. Small amounts of iron in NiFe and NiCoFe systems were found to significantly decrease the overpotential. The best OER electrocatalysts of the series were obtained for the ternary metal hydroxide of composition Ni 0.33 Co 0.34 Fe 0.33 , which generates a low overpotential of 0.332 V in reaching 10 mA cm -1 in 0.1 M KOH and the Tafel slope is as low as 51 mV dec -1 . Density functional theory calculations demonstrate the improvements of electronic structure and free energy changes of the ternary metal oxyhydroxide for more efficient OER electrocatalysis. Altogether, this work provides a solid foundation for further development of high-efficiency, scalable, and cost-effective mixed-metal (oxy)hydroxide electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Structural Changes in Metal Chalcogenide Nanoclusters Associated with Single Heteroatom Incorporation

Atomically precise nanoclusters (NCs) are promising building blocks for designing materials and interfaces with unique properties. By incorporating heteroatoms into the core, the electronic and magnetic properties of NCs can be precisely tuned. To accurately predict these properties, density functional theory (DFT) is often employed, making the rigorous benchmarking of DFT results particularly important. In this study, we present a benchmarking approach based on metal chalcogenide NCs as a model system. We synthesized a series of bimetallic, iron-cobalt chalcogenide NCs [Co 6-x Fe x S 8 (PEt 3 ) 6 ] + (x = 0-6) (PEt = triethyl phosphine) and investigated the effect of heteroatoms in the octahedral metal chalcogenide core on their size and electronic properties. Using ion mobility-mass spectrometry (IM-MS), we observed a gradual increase in the collision cross section (CCS) with an increase in the number of Fe atoms in the core. DFT calculations combined with trajectory method CCS simulations successfully reproduced this trend, revealing that the increase in cluster size is primarily due to changes in metal-ligand bond lengths, while the electronic properties of the core remain largely unchanged. Moreover, this method allowed us to exclude certain multiplicity states of the NCs, as their CCS values were significantly different from those predicted for the lowest-energy structures. Here, this study demonstrates that gas-phase IM-MS is a powerful technique for detecting subtle size differences in atomically precise NCs, which are often challenging to observe using conventional NC characterization methods. Accurate CCS measurements are established as a benchmark for comparison with theoretical calculations. The excellent correspondence between experimental data and theoretical predictions establishes a robust foundation for investigating structural changes of transition metal NCs of interest to a broad range of applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures

The high-entropy alloys are an intriguing new class of metallic materials that derive their properties not from a single dominant constituent, such as iron in steels, nor from the presence of a second phase, such as in nickel-base superalloys, but rather comprise multi-element systems that crystallize as a single phase, despite containing high concentrations (~20 at.%) of five or more elements with different crystal structures. Indeed, we have recently reported on one such single-phase high-entropy alloy, NiCoCrFeMn, which displays exceptional strength and toughness at cryogenic temperatures. Here which displays unprecedented strength-toughness properties that exceed those of all high-entropy alloys and most multi-phase alloys. With roomtemperature tensile strengths of almost 1 GPa and KJIc fracture-toughness values above 200 MPa.m 1/2 (with crack-growth toughnesses exceeding 300 MPa.m 1/2 ), the strength, ductility and toughness of the NiCoCr alloy actually improve at cryogenic temperatures to unprecedented levels of strengths above 1.3 GPa, failure strains up to 90% and K JIc values of 275 MPa.m 1/2 (with crackgrowth toughnesses above 400 MPa.m 1/2 ). These properties appear to result from continuous steady strain hardening, which acts to suppress plastic instability, resulting from pronounced dislocation activity and deformation-induced nano-twinning.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Optimizing conditions for utilization of an H 2 oxidation catalyst with outer coordination sphere functionalities

[Ni(PCy2NArginine2)2]2+ ( CyArg ) or [Ni(PCy2NBenzyl2)2]2+ ( CyBn ) were evaluated for H 2 oxidation as a function of temperature, pressure, and solvent. 70 °C and 100 atm H 2 result in a TOF of 1.1 × 106 s -1 and an overpotential of 240 mV for CyArg in water. In methanol the rates were 280 s -1 for CyArg and 80 s -1 for CyBn , demonstrating the importance of water and the outer coordination sphere ( OCS ).

bio-inspired↗
DOE OSTI2014

Mechanism of tailored magnetic anisotropy in amorphous Co{sub 68}Fe{sub 24}Zr{sub 8} thin films

The mechanism of tailored magnetic anisotropy in amorphous Co{sub 68}Fe{sub 24}Zr{sub 8} thin films was investigated by ferromagnetic resonance (FMR) on samples deposited without an applied magnetic field, with an out-of-plane field and an in-plane field. Analysis of FMR spectra profiles, high frequency susceptibility calculations, and statistical simulations using a distribution of local uniaxial magnetic anisotropy reveal the presence of atomic configurations with local uniaxial anisotropy, of which the direction can be tailored while the magnitude remains at an intrinsically constant value of 3.0(2) kJ/m{sup 3}. The in-plane growth field remarkably sharpens the anisotropy distribution and increases the sample homogeneity. The results benefit designing multilayer spintronic devices based on highly homogeneous amorphous layers with tailored magnetic anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Localized parallel parametric generation of spin waves in a Ni{sub 81}Fe{sub 19} waveguide by spatial variation of the pumping field

We present the experimental observation of localized parallel parametric generation of spin waves in a transversally in-plane magnetized Ni{sub 81}Fe{sub 19} magnonic waveguide. The localization is realized by combining the threshold character of parametric generation with a spatially confined enhancement of the amplifying microwave field. The latter is achieved by modulating the width of the microstrip transmission line which is used to provide the pumping field. By employing microfocussed Brillouin light scattering spectroscopy, we analyze the spatial distribution of the generated spin waves and compare it with numerical calculations of the field distribution along the Ni{sub 81}Fe{sub 19} waveguide. This provides a local spin-wave excitation in transversally in-plane magnetized waveguides for a wide wave-vector range which is not restricted by the size of the generation area.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Capping layer-tailored interface magnetic anisotropy in ultrathin Co{sub 2}FeAl films

Co{sub 2}FeAl (CFA) thin films of various thicknesses (2 nm ≤ d ≤ 50 nm) have been grown on (001) MgO single crystal substrates and then capped with Cr, V, and Ta. Their magnetic and structural properties have been studied by x-ray diffraction (XRD), vibrating sample magnetometry, and broadband microstrip ferromagnetic resonance (MS-FMR). The XRD revealed that the films are epitaxial with the cubic [001] CFA axis normal to the substrate plane and that the chemical order varies from the B2 phase to the A2 phase when decreasing the thickness. The deduced lattice parameters showed that the Cr-capped films exhibit a larger tetragonal distortion, as compared with the films capped with V or Ta. The presence of magnetic dead layers has been observed in CFA samples capped with V and Ta but not in the case of the Cr-capped ones. The effective magnetization, deduced from the fit of MS-FMR measurements, increases (decreases) linearly with the CFA inverse thickness (1/d) for the Cr-capped (Ta-capped) films while it is constant for the V-capped ones. This allows quantifying the perpendicular surface anisotropy coefficients of −0.46 erg/cm{sup 2} and 0.74 erg/cm{sup 2} for Cr and Ta-capped films, respectively. Moreover, the fourfold and the uniaxial anisotropy fields, measured in these films, showed different trends with a respect to the CFA inverse thickness. This allows inferring that a non-negligible part of the fourfold magnetocrystalline term is of interfacial origin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The in-plane anisotropic magnetic damping of ultrathin epitaxial Co{sub 2}FeAl film

The in-plane orientation-dependent effective damping of ultrathin Co{sub 2}FeAl film epitaxially grown on GaAs(001) substrate by molecular beam epitaxy (MBE) has been investigated by employing the time-resolved magneto-optical Kerr effect (TR-MOKE) measurements. It is found that the interface-induced uniaxial anisotropy is favorable for precession response and the anisotropy of precession frequency is mainly determined by this uniaxial anisotropy, while the magnetic relaxation time and damping factor exhibit the fourfold anisotropy at high-field regime. The field-independent anisotropic damping factor obtained at high fields indicates that the effective damping shows an intrinsic fourfold anisotropy for the epitaxial Co{sub 2}FeAl thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Atomic scale understanding of magnetic properties in Ni{sub 50}Fe{sub 35}Co{sub 15}

Mössbauer spectroscopic studies have been carried out at different temperatures across ferromagnetic to paramagnetic transition in Ni{sub 50}Fe{sub 35}Co{sub 15} and the evolution of hyperfine parameters such as centre shift and magnetic hyperfine fields with temperature has been studied. Mössbauer spectrum obtained at 300 K in Ni{sub 50}Fe{sub 35}Co{sub 15} exhibiting fcc crystal structure is a six line pattern with the mean value of the hyperfine field close to 33 Tesla. Ferromagnetic to paramagnetic transition has been observed to occur in this system around 895 K matching with that of magnetization results. Debye temperature of this nickel rich alloy is deduced to be around 470 K matching with that of Ni. Effect of prolonged annealing at 750 K on the magnetic property is also investigated with respect to the thermal stability of the alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Measurement of Photoneutrons from Depleted Uranium and Comparison Study Using MCNPX-PoliMi

High-energy photon interrogation is a nondestructive technique that is used to detect special nuclear materials and characterize nuclear waste. The development of such systems is complex and requires Monte Carlo simulations to optimize system performance. Monte Carlo simulations rely on various scattering, absorption, and photonuclear cross-section data. While the scattering and absorption cross-section data have been extensively studied and validated with experiments, the results obtained from photonuclear simulations are often found to underpredict measured results, indicating uncertainties in the photonuclear cross sections themselves. Thus, there is a need for new measured results that can be used to quantify underpredictions in simulations using photonuclear cross-section data. In the present work, we interrogated depleted uranium with a 9-MV electron linac and detected photoneutrons with trans-stilbene organic scintillators. The measurement of photoneutrons with organic scintillators is challenging due to the presence of the intense photon flux, which causes issues such as pulse pile-up, detector saturation, and poor signal-to-background ratio. To mitigate these challenges, we used iron and polyethylene shielding of varying thicknesses around the depleted uranium target and a neural network–based digital pulse processing algorithm to recover neutron and photon information from piled-up events. Our goal was to compare the measured photoneutron count rate with the simulated rate obtained using the MCNPX-PoliMi transport code. For a light output window of 0.28 to 2.67 MeVee (1.66- to 6.85-MeV proton recoil energy), we found that the simulated count rate obtained using the ENDF/B-VII photonuclear cross-section library underpredicts the measured rate by 32.8% 3.2%. Additionally, we compared the simulated and measured photoneutron light output distributions. For the least thicknesses of shielding, the simulation was found to underpredict measurements in the 0.70- to 2.67-MeVee light output window. For the greatest thicknesses of shielding, the simulation was found to underpredict the measurement across the entire light output window of 0.28 to 2.67 MeVee.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Exposure of Stainless Steel 316 to Subcritical, Transition, and Near-Supercritical Water

This work investigates the oxidation of austenitic stainless steel 316 at temperatures close to the critical point of water: subcritical water at 330°C and 27 MPa, the transition between subcritical and supercritical water at 374°C and 27 MPa, and supercritical water (SCW) at 380°C and 27 MPa. The surfaces of the samples were characterized using x-ray diffraction, Raman spectroscopy, scanning electron microscopy, and x-ray photoelectron spectroscopy before and after exposure. Magnetite (Fe3O4) was found to be present on all surfaces of all samples. The samples exposed to subcritical water also showed the presence of a nickel-iron chromium mixed spinel Ni(Fe2-xCrx)O4. The oxide morphology was observed to vary based on exposure temperature; an increased nucleation and growth rate, and an increased generation of Fe2+ was observed on samples exposed to the transition region and SCW.

Materials Science↗