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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Elucidating the Active Site and the Role of Alkali Metals in Selective Hydrodeoxygenation of Phenols over Iron-Carbide-based Catalyst

In this study, iron-carbide-based catalysts have been explored in the selective hydrodeoxygenation (HDO) of phenol, aiming at elucidating the role of active site and alkali metal. Complementary characterization such as X-ray diffraction, X-ray photoelectron spectroscopy, high-resolution transmission electron microscopy, and scanning transmission electron microscopy coupled with electron energy loss spectroscopy, together with catalytic evaluations revealed a rapid structural reconstruction of iron carbide (Fe 3 C) catalysts, leading to a stable defective graphene-covered metallic Fe active phase (G@Fe) under reaction conditions. Further studies using different alkali metals (i.e., Na, K, and Cs) revealed that alkali metals showed negligible effect on the phase transformation of Fe 3 C. However, the reconstructed G@Fe doped with alkali metals inhibited the tautomerization, a facile reaction pathway to saturation of the aromatic ring, leading to enhanced selectivity to arene. The extent of inhibition of tautomerization or selectivity to arene was closely related to the degree of electron donation of alkali metal to Fe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Durable, Inexpensive and Scalable Redox Flow Battery Based on Iron Sulfate and Anthraquinone Disulfonic Acid

A new redox flow battery system based on iron sulfate and anthraquinone disulfonic acid (AQDS) is shown here to have excellent electrical performance, capacity retention, and chemical durability. While these redox couples, iron(II)/iron(III) and AQDS are well known individually, their combination in a redox flow battery is shown here for the first time to provide unique benefits for large-scale energy storage. Based on iron sulfate, a waste product of the steel industry, the active materials cost for this battery is anticipated to be $66/kWh. Cycling studies of over 500 cycles in the symmetric cell configuration show a negligibly low capacity fade rate of 7.6 × 10 −5 % per cycle. This symmetric cell also shows a notably high average coulombic efficiency of 99.63%. Using a graphite felt electrode modified with multi-walled carbon nanotubes (MWCNTs), we could achieve a peak power density of 194 mW cm −2 . The major voltage losses are ascribed to the ohmic resistance of the electrode and electrolyte. Despite the lower cell voltage of the system relative to the vanadium flow battery, the iron–AQDS flow battery system presents a good prospect for simultaneously meeting the demanding requirements of cost, durability and scalability for large-scale sustainable energy storage.

Yang, Bo↗
NASA NTRS1974

The resistance to embrittlement by a hydrogen environment of selected high strength iron-manganese base alloys

Fe-16Mn and Fe-25Mn base alloys, which had been cold worked to yield strength levels of 201 and 178 KSI, were resistant to degradation of mechanical properties in a one atmosphere hydrogen environment at ambient temperature under the loading conditions employed in this investigation. Transmission electron microscopy established that bands of epsilon phase martensite and fcc mechanical twins were formed throughout the fcc matrix when these alloys were cold worked. In the cold worked alloys a high density of crystal defects were observed associated with both types of strain induced structures, which should contribute significantly to the strengthening of these alloys. High strength iron base alloys can be produced which appear to have some resistance to degradation of mechanical properties in a hydrogen environment under certain conditions.

Benson, R. B., Jr.↗
NASA NTRS1985

Creep rupture behavior of Stirling engine materials

The automotive Stirling engine, being investigated jointly by the Department of Energy and NASA Lewis as an alternate to the internal combustion engine, uses high-pressure hydrogen as the working fluid. The long-term effects of hydrogen on the high temperature strength properties of materials is relatively unknown. This is especially true for the newly developed low-cost iron base alloy NASAUT 4G-A1. This iron-base alloy when tested in air has creep-rupture strengths in the directionally solidified condition comparable to the cobalt base alloy HS-31. The equiaxed (investment cast) NASAUT 4G-A1 has superior creep-rupture to the equiaxed iron-base alloy XF-818 both in air and 15 MPa hydrogen.

Titran, R. H.↗
DOE OSTI2020

Orbital selective spin waves in detwinned NaFeAs

The existence of orbital-dependent electronic correlations has been recognized as an essential ingredient to describe the physics of iron-based superconductors. NaFeAs, a parent compound of iron-based superconductors, exhibits a tetragonal-to-orthorhombic lattice distortion below T s ≈ 60 K, forming an electronic nematic phase with two 90° rotated (twinned) domains, and orders antiferromagnetically below T N ≈ 42 K. We use inelastic neutron scattering to study spin waves in uniaxial pressure-detwinned NaFeAs. By comparing the data with combined density functional theory and dynamical mean-field theory calculations, we conclude that spin waves up to an energy scale of E crossover ≈ 100 meV are dominated by d yz -d yz intraorbital scattering processes, which have the twofold (C 2 ) rotational symmetry of the underlying lattice. On the other hand, the spin wave excitations above E crossover , which have approximately fourfold (C 4 ) rotational symmetry, arise from the d xy -d xy intraorbital scattering that controls the overall magnetic bandwidth in this material. In addition, we find that the low-energy (E ≈ 6 meV) spin excitations change from approximate C 4 to C 2 rotational symmetry below a temperature T* (>T s ), while spin excitations at energies above E crossover have approximate C 4 rotational symmetry and are weakly temperature dependent. Here, these results are consistent with angle-resolved photoemission spectroscopy measurements, where the presence of a uniaxial strain necessary to detwin NaFeAs also raises the onset temperature T* of observable orbital-dependent band splitting to above T s , thus supporting the notion of orbital selective spin waves in the nematic phase of iron-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transient gap generation in BaFe2As2 driven by coherent lattice vibrations

Abstract Iron-based superconductors provide a rich platform to investigate the interplay between unconventional superconductivity, nematicity, and magnetism. The electronic structure and the magnetic properties of iron-based superconductors are highly sensitive to the pnictogen height. Coherent excitation of the A1g phonon by femtosecond laser directly modulates the pnictogen height, which has been used to control the physical properties of iron-based superconductors. Previous studies show that the driven A1g phonon resulted in a transient increase of the pnictogen height in BaFe2As2, favoring an enhanced Fe magnetic moment. However, there are no direct observations on either the enhanced Fe magnetic moments or the enhanced spin-density wave (SDW) gap. Here, we use time-resolved broadband terahertz spectroscopy to investigate the dynamics of BaFe2As2 in the A1g phonon-driven state. Below the SDW transition temperature, we observe a transient gap generation at early-time delays. A similar transient feature is observed in the normal state up to room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tuning superconductivity and spin-vortex instabilities in CaKFe 4 As 4 through in-plane antisymmetric strains

Lattice strains of appropriate symmetry have served as an excellent tool to explore the interaction of superconductivity in the iron-based superconductors with orthorhombic-nematic and stripe spin-density-wave (SSDW) order. In this Letter, we contribute to a broader understanding of the coupling of strain to superconductivity and competing normal-state orders by studying CaKFe 4 As 4 under large, in-plane strains of B 1 g and B 2 g symmetry. In contrast to the majority of iron-based superconductors, pure CaKFe 4 As 4 exhibits superconductivity with a relatively high transition temperature of T c ∼ 35 K in proximity of a noncollinear, tetragonal, hedgehog spin-vortex crystal (SVC) order. Through experiments and calculations, we demonstrate an anisotropic in-plane strain response of T c and the favored SVC configuration in CaKFe 4 As 4 . This supports a scenario, in which the change in spin fluctuations dominates the strain response of superconducting T c . Overall, by suggesting moderate B 2 g strains as an effective parameter to change the stability of SVC and SSDW, we outline a pathway to a unified phase diagram of iron-based superconductivity. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nanocomposite Materials for Radionuclide Sequestration from Groundwater Environments

The half-lives of radionuclides range from fractions of a second to billions of years. Since no practical method of altering radioactive decay exists, and since exposure to either the energy emitted from radioactive decay or chemical properties of radionuclides poses dire health risks, radioactive materials must be segregated and controlled. The capture, treatment, and disposition of radioactive materials remain an extraordinary challenge. In here, we focus our attention on the synthesis and characterization of a unique class of nanocomposite materials that have potential for removal of radionuclide contamination. Specifically, we report a simple approach to decorate the surface of iron-based (Fe/FexOy) material with various nano-catalysts. Specifically, copper (Cu), tin (Sn), and silver (Ag) nanoparticles were prepared through two different reduction approaches, namely, citrate and cetyltrimethylammonium bromide (CTAB) methods, on the iron-based material surface. All samples were characterized by a variety of analytical tools, which included scanning electron microscopy (SEM), electron-dispersive X-ray microanalysis (EDS), and EDS mapping to elucidate materials’ morphology as well as nano-catalysts’ loading and location on the iron-based structures.

Hunyadi Murph, Simona E.↗
DOE OSTI2020

Momentum dependent $d_{xz/yz}$ band splitting in LaFeAsO

The nematic phase in iron based superconductors (IBSs) has attracted attention with a notion that it may provide important clue to the superconductivity. A series of angle-resolved photoemission spectroscopy (ARPES) studies were performed to understand the origin of the nematic phase. However, there is lack of ARPES study on LaFeAsO nematic phase. Here, we report the results of ARPES studies of the nematic phase in LaFeAsO. Degeneracy breaking between the d xz and d yz hole bands near the Γ and M point is observed in the nematic phase. Different temperature dependent band splitting behaviors are observed at the Γ and M points. The energy of the band splitting near the M point decreases as the temperature decreases while it has little temperature dependence near the Γ point. The nematic nature of the band shift near the M point is confirmed through a detwin experiment using a piezo device. Since a momentum dependent splitting behavior has been observed in other iron based superconductors, our observation confirms that the behavior is a universal one among iron based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

SiC or B4C-B/low strategic element content composite

Advancements in materials technologies are needed to provide the aerospace industry with alternate material options in the event of future strategic metal shortages and to optimize performance of engines. Composite materials are promising candidates for such an application. The potential of SiC and B4C-B filament reinforced low strategic element iron-base alloy content composites or use at 760 to 870 C is considered. A limiting factor towards developing this material for high temperature use has been the reaction between the filament and matrix material during fabrication and service which degrades filament strength. A low temperature fabrication process to limit filament/matrix reaction is being developed which involves the use of hollow cathode sputtering to coat the filaments with iron-base alloys of various compositions. An investigation is being conducted to determine the interfacial reaction effects of SiC and B4C-B filaments with iron-base alloys to develop an understanding of filament/matrix alloy compatibility for 760 to 870 C service.

Petrasek, D. W.↗
NASA NTRS1988

Choosing An Alloy For Automotive Stirling Engines

Report describes study of chemical compositions and microstructures of alloys for automotive Stirling engines. Engines offer advantages of high efficiency, low pollution, low noise, and ability to use variety of fuels. Twenty alloys evaluated for resistance to corrosion permeation by hydrogen, and high temperature. Iron-based alloys considered primary candidates because of low cost. Nickel-based alloys second choice in case suitable iron-based alloy could not be found. Cobalt-based alloy included for comparison but not candidate, because it is expensive strategic material.

Stephens, Joseph R.↗
NASA NTRS1981

Creep and residual mechanical properties of cast superalloys and oxide dispersion strengthened alloys

Tensile, stress-rupture, creep, and residual tensile properties after creep testing were determined for two typical cast superalloys and four advanced oxide dispersion strengthened (ODS) alloys. The superalloys examined included the nickel-base alloy B-1900 and the cobalt-base alloy MAR-M509. The nickel-base ODS MA-757 (Ni-16CR-4Al-0.6Y2O3 and the iron-base ODS alloy MA-956 (Fe-20Cr-5Al-0.8Y2O3) were extensively studied, while limited testing was conducted on the ODS nickel-base alloys STCA (Ni-16Cr-4.5Al-2Y2O3) with a without Ta and YD-NiCrAl (Ni-16Cr-5Al-2Y2O3). Elevated temperature testing was conducted from 114 to 1477 K except for STCA and YD-NiCrAl alloys, which were only tested at 1366 K. The residual tensile properties of B-1900 and MAR-M509 are not reduced by prior creep testing (strains at least up to 1 percent), while the room temperature tensile properties of ODS nickel-base alloys can be reduced by small amounts of prior creep strain (less than 0.5 percent). The iron-base ODS alloy MA-956 does not appear to be susceptible to creep degradation at least up to strains of about 0.25 percent. However, MA-956 exhibits unusual creep behavior which apparently involves crack nucleation and growth.

Whittenberger, J. D.↗
DOE OSTI2023

Spectral evidence for unidirectional charge density wave in detwinned BaNi 2 As 2

In the iron-based superconductors, unconventional superconductivity emerges in proximity to intertwined electronic orders consisting of an electronic nematic order and a spin density wave (SDW). Recently, BaNi 2 As 2 , like its well-known iron-based analog BaFe 2 As 2 , has been discovered to host a symmetry-breaking structural transition but coupled to a unidirectional charge density wave (CDW) instead of SDW, providing a novel platform to study intertwined orders. Here, in this work, through a systematic angle-resolved photoemission spectroscopy study combined with a detwinning B 1 g uniaxial strain, we identify distinct spectral evidence of band evolution due to the structural transition as well as CDW-induced band folding. In contrast to the nematicity and spin density wave in BaFe 2 As 2 , the structural and CDW order parameters in BaNi 2 As 2 are observed to be strongly coupled and do not separate in the presence of uniaxial strain. Furthermore, no nematic band splitting is resolved above the structural transition. Our measurements point to a likely lattice origin of the CDW order in BaNi 2 As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Investigation of N2 adsorption on Fe3O4(001) using ambient pressure X-ray photoelectron spectroscopy and density functional theory

Reactions on iron oxide surfaces are prevalent in various chemical processes from heterogeneous catalysts to minerals. Nitrogen (N2) is known to dissociate on iron surfaces, a precursor for ammonia production in the Haber–Bosch process, where the dissociation of N2 is the limiting step in the reaction under equilibrium conditions. However, little is known about N2 adsorption on other iron-based materials, such as iron oxide surfaces that are ubiquitous in soils, steel pipelines, and other industrial materials. An atomistic description is reported for the binding of N2 on the Fe3O4(001) surface using first principles calculations with ambient pressure X-ray photoelectron spectroscopy. Two primary adsorption sites are experimentally identified from N2 dissociation on Fe3O4(001). The electronic signatures associated with the valence band region unambiguously show how the electronic structure of magnetite transforms near ambient pressures due to the binding of atomic nitrogen to different surface sites. Overall, the experimental and theoretical results of our study bridge the gap between ultra-high vacuum studies and reaction conditions to provide insight into other nitrogen-based chemistry on iron oxide surfaces that impact the agriculture and energy industries.

Degaga, Gemechis D. (ORCID:0000000205097118)↗
DOE OSTI2025

Role of Nematic Fluctuations on Superconductivity in FeSe 0.47 ⁢Te 0.53 Revealed by Nuclear Magnetic Resonance under Pressure

The relationship between antiferromagnetic (AFM) spin fluctuations (SF), nematic fluctuations, and superconductivity (SC) has been central to understanding the pairing mechanism in iron-based superconductors (IBSCs). Iron chalcogenides, which hold the simplest crystal structure in IBSCs, provide a good platform to investigate the relationship. Here, we report 77 Se and 125 Te nuclear magnetic resonance studies of FeSe 0.47⁢ Te 0.53 , which is located close to a nematic quantum critical point (QCP), under pressures up to 1.35 GPa. Further, both the superconducting critical temperature and AFMSF were found to be enhanced under pressure, which suggests a correlation between SC and AFMSF in FeSe 0.47 ⁢Te 0.53 . However, the contribution of AFMSF to SC in FeSe 0.47 ⁢Te 0.53 was found to be much less compared to that in FeSe 1−𝑥 ⁢S 𝑥 , suggesting that nematic fluctuations play a dominant role in the SC in FeSe 1−𝑥⁢ Te 𝑥 around the nematic QCP.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Ion-Selective Scattering Studied Using the Variable-Energy Electron Irradiation in the Ba 0.2 K 0.8 Fe 2 As 2 Superconductor

Low-temperature variable-energy electron irradiation was used to induce non-magnetic disorder in a single crystal of a hole-doped iron-based superconductor, Ba $1-x$ K $x$ Fe 2 As 2 , $x$ = 0.80. To avoid systematic errors, the beam energy was adjusted non-consequently for five values between 1.0 and 2.5 MeV when sample resistance was measured in situ at 22 K. For all energies, the resistivity raises linearly with the irradiation fluence suggesting the creation of uncorrelated dilute point-like disorder (confirmed by simulations). The rate of the resistivity increase peaks at energies below 1.5 MeV. Comparison with calculated partial cross-sections points to the predominant creation of defects in the iron sublattice. Simultaneously, superconducting $T_c$, measured separately between the irradiation runs, is monotonically suppressed as expected, since it depends on the total scattering rate, hence on the total cross-section, which is a monotonically increasing function of the energy. Our work experimentally confirms an often-made assumption of the dominant role of the iron sub-lattice in iron-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Short-Range Nematic Fluctuations in Sr 1-x Na x Fe 2 As 2 Superconductors

Interactions between nematic fluctuations, magnetic order and superconductivity are central to the physics of iron-based superconductors. Here we report on in-plane transverse acoustic phonons in hole-doped Sr 1-x Na x Fe 2 As 2 measured via inelastic x-ray scattering, and extract both the nematic susceptibility and the nematic correlation length. By a self-contained method of analysis, for the underdoped (x = 0.36) sample, which harbors a magnetically ordered tetragonal phase, we find it hosts a short nematic correlation length ξ ~ 10Å and a large nematic susceptibility Χ nem . The optimal-doped (x = 0.55) sample exhibits weaker phonon softening effects, indicative of both reduced xi and Χ nem . Overall, our results suggest short-range nematic fluctuations may favor superconductivity, placing emphasis on the nematic correlation length for understanding the iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗