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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Neodymium-iron-boron magnet with selective surface modification, and method of producing same

A bulk high performance permanent magnet comprising a neodymium-iron-boron core having an outer surface, and a coercivity-enhancing element residing on at least a portion of said outer surface, with an interior portion of said neodymium-iron-boron core not having said coercivity-enhancing element therein. Also described herein is a method for producing the high-coercivity bulk permanent magnet, the method comprising: (i) depositing a coercivity-enhancing element on at least a portion of an outer surface of a neodymium-iron-boron core substrate to form a coated permanent magnet; and (ii) subjecting the coated permanent magnet to a pulse thermal process that heats said outer surface to a substantially higher temperature than an interior portion of said neodymium-iron-boron core substrate, wherein said substantially higher temperature is at least 200° C. higher than said interior portion and is of sufficient magnitude to induce diffusion of said coercivity-enhancing element below said outer surface but outside of said interior portion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Corrosion Behavior of Developmental Iron Phosphate Waste Forms: FY20 Status Report

Corrosion tests were performed to assess the dissolution behaviors of developmental iron phosphate materials that are being evaluated as an alternative to the glass-bonded sodalite ceramic waste form to immobilize salt wastes from electrochemical separation operations. Production of the iron phosphate waste form results in dehalogenation of the waste salt that increases potential waste loading. Ferric oxide is added to the waste form to increase the chemical durability. Tests conducted to optimize the amount of ferric oxide used to make the waste form are summarized in this report. Specimens prepared from materials made with between 17 and 34 mole % ferric oxide were subjected to two test methods to assess the effects of the iron content on the relative durability and retention of immobilized salt cations including cesium, strontium, and neodymium. Modified ASTM C1308 test results show the intrinsic durability was significantly higher for materials made with 27 mol % ferric oxide. Further additions generated iron-rich inclusion phases and did not improve durability. Modified ASTM C1285 test results show that solution feedback attenuates the dissolution rate similar to what is observed for borosilicate glasses within seven days. Analyses of test specimens after 42 days show no evidence that surface layers formed. Combined with previous studies addressing the salt loading, a composition region of the ammonium (di)hydrogen phosphate-waste salt-ferric oxide ternary has been defined for durable waste form compositions. Materials with that composition can be used to determine optimal processing conditions, assess long-term performance, and parameterize a degradation model.

Stariha, S. A.↗
DOE OSTI2022

Preservation of strain in iron nitride magnet

A permanent magnet may include a Fe 16 N 2 phase in a strained state. In some examples, strain may be preserved within the permanent magnet by a technique that includes etching an iron nitride-containing workpiece including Fe 16 N 2 to introduce texture, straining the workpiece, and annealing the workpiece. In some examples, strain may be preserved within the permanent magnet by a technique that includes applying at a first temperature a layer of material to an iron nitride-containing workpiece including Fe 16 N 2 , and bringing the layer of material and the iron nitride-containing workpiece to a second temperature, where the material has a different coefficient of thermal expansion than the iron nitride-containing workpiece. A permanent magnet including an Fe 16 N 2 phase with preserved strain also is disclosed.

Wang, Jian-Ping↗
DOE OSTI2023

Preservation of strain in iron nitride magnet

A permanent magnet may include a Fe 16 N 2 phase in a strained state. In some examples, strain may be preserved within the permanent magnet by a technique that includes etching an iron nitride-containing workpiece including Fe 16 N 2 to introduce texture, straining the workpiece, and annealing the workpiece. In some examples, strain may be preserved within the permanent magnet by a technique that includes applying at a first temperature a layer of material to an iron nitride-containing workpiece including Fe 16 N 2 , and bringing the layer of material and the iron nitride-containing workpiece to a second temperature, where the material has a different coefficient of thermal expansion than the iron nitride-containing workpiece. A permanent magnet including an Fe 16 N 2 phase with preserved strain also is disclosed.

Wang, Jian-Ping↗
DOE OSTI2024

Iron-rich permanent magnet

The disclosure is directed to an iron-nitride material having a polycrystalline microstructure including a plurality of elongated crystallographic grains with grain boundaries, the iron-nitride material including at least one of an α″-Fe16N2 phase and a body-center-tetragonal (bct) phase comprising Fe and N. The disclosure is also directed a method producing an iron-nitride material. The method includes some combinations of preparing a raw material comprising iron, carrying out a microstructure build-up by annealing the prepared raw material at an elevated temperature and subsequently quenching the prepared raw material to produce a microstructure build-up material, annealing the microstructure build-up material, reducing the microstructure build-up material in a hydrogen environment, nitriding the reduced material to produce a nitrided material and subsequently quenching the nitrided material to a martensitic transformation temperature, stress annealing the nitrided material, and magnetic field annealing the stress-annealed material.

Wang, Jian-Ping↗
DOE OSTI2024

High-modulus, high-strength, low alloy gray cast iron for cylinder liners and automotive applications

A high elastic modulus, high ultimate tensile strength, and low alloy gray cast iron for cylinder liners. The gray cast iron includes from 2.60 wt % to 3.30 wt % Carbon (C); from 1.50 wt % to 2.30 wt % Silicon (Si); from 0.30 wt % to 0.80 wt % Manganese (Mn); from 0.15 wt % to 0.35 wt % Phosphorus (P); from 0.05 wt % to 0.11 wt % Sulphur (S); from 0.60 wt % to 1.20 wt % Copper (Cu); from 0.10 wt % to 0.30 wt % Chromium (Cr); from greater than 0.0 wt % to 0.1 wt % Nickle (Ni); from 0.15 wt % to 0.40 wt % Molybdenum (Mo); and balance wt % Iron (Fe). The total wt % of Si, Mn, P, S, Cu, Cr, Ni, and Mo is less than about 4.10 wt %. The gray cast iron has a Carbon Equivalent (CE) from 3.00 wt % to 3.90 wt % and the product of Mn %*S % is from 0.025 to 0.045.

Yang, Jianghuai↗
DOE OSTI2023

Solution combustion synthesis of iron-based alumina catalysts for dehydrogenation of fossil fuels

Microwave-assisted thermocatalytic dehydrogenation of fossil fuels has been proposed as a method for hydrogen production with no CO2 emissions. The byproduct is carbon, which has a commercial value. Iron-based alumina nanocomposites are promising catalysts for this process as they both absorb microwave radiation and catalyze the dehydrogenation. In addition, they may have magnetic properties, which could be used for their separation from the carbon byproduct. Solution combustion synthesis (SCS) is an attractive technique for the fabrication of iron-based alumina nanocomposites because it can produce high specific surface area oxides in a facile manner. However, the effects of the heating mode, the fuel, and the iron/aluminum ratio on the combustion synthesis behavior and the product properties have not been studied yet. In the present work, the iron-based alumina nanocomposites were obtained by SCS using a hotplate, a muffle furnace, and a microwave oven. The initial mixtures were aqueous solutions of iron nitrate, aluminum nitrate, and an organic fuel. The concentrations of the two nitrates were varied in proportion to Fe:Al molar ratios of 1:2, 1:1, and 2:1. Two fuels were tested: citric acid and glycine. The combustion was less vigorous when citric acid was used as the fuel, which is explained by the lower exothermicity of the reaction. X-ray diffraction analysis of the products confirmed the formation of complex oxides of Fe and Al, specifically it detected hercynite and magnetite phases. Brunauer-Emmett-Teller surface area analysis has shown that the powders obtained using citric acid have specific surface areas as high as 276 m2/g, significantly higher than those obtained using glycine. Muffle furnace and hotplate heating led to comparable specific surface areas, while microwave heating resulted in significantly lower specific surface areas. The magnetic properties of the products increase with increasing the Fe/Al molar ratio from 1:2 (no response to a magnetic field) to 1:1 (weak response) and 2:1 (strong response).

solution combustion synthesis, nanoscale oxides, f↗
DOE OSTI2022

Solution combustion synthesis of iron-based alumina nanocomposites for clean production of hydrogen from fossil fuels

Iron-based alumina nanocomposites are promising materials for microwave-assisted thermocatalytic dehydrogenation of fossil fuels, which has been proposed for the production of hydrogen with no CO2 emissions. Solution combustion synthesis (SCS) is an attractive technique for the fabrication of these materials because it has been used for synthesis of many nanoscale oxides. However, SCS can be carried out using different organic fuels and different heating equipment, and it is important to determine which fuel and heating mode generate materials with the best properties for dehydrogenation, such as maximized specific surface area. In the present work, the iron-based alumina nanocomposites were obtained by SCS using two different fuels (citric acid and glycine) and two different heating modes (a hotplate and a muffle furnace). The precursors/oxidizers were iron nitrate and aluminum nitrate. They were mixed with the fuel according to stoichiometry and dissolved in water. Heating the solution resulted in combustion synthesis. The products were characterized by X-ray diffraction analysis, Brunauer-Emmett-Teller surface area analysis, laser diffraction particle size analysis, scanning electron microscopy, and energy dispersive X-ray spectroscopy. The experiments have shown that the specific surface area of the iron-based alumina nanocomposites obtained by SCS can be dramatically increased by using citric acid instead of glycine, and additionally by using a muffle furnace instead of a hotplate.

Solution combustion synthesis, Nanoscale metal oxi↗
DOE OSTI2025

Enhanced Reversibility of Iron Metal Anode with a Solid Electrolyte Interphase in Concentrated Chloride Electrolytes

Iron is a promising candidate for a cost-effective anode for large-scale energy storage systems due to its natural abundance and well-established mass production. Recently, Fe-ion batteries (FeIBs) that use ferrous ions as the charge carrier have emerged as a potential storage solution. The electrolytes in FeIBs are necessarily acidic to render the ferrous ions more anodically stable, allowing a wide operation voltage window. However, the iron anode suffers severe hydrogen evolution reaction with a low Coulombic efficiency (CE) in an acidic environment, shortening the battery cycle life. Herein, a hybrid aqueous electrolyte that forms a solid-electrolyte interphase (SEI) layer on the Fe anode surface is introduced. The electrolyte mainly comprises FeCl 2 and ZnCl 2 as cosalts, where the Zn-Cl anionic complex species of the concentrated ZnCl 2 allows dimethyl carbonate (DMC) to be miscible with the aqueous ferrous electrolyte. SEI derived from DMC's decomposition passivates the iron surface, which leads to an average CE of 98.3% and much-improved cycling stability. As a result, this advancement shows the promise of efficient and durable FeIBs.

25 ENERGY STORAGE↗
DOE OSTI2022

A fusion of the Bacteroides fragilis ferrous iron import proteins reveals a role for FeoA in stabilizing GTP-bound FeoB

Iron is an essential element for nearly all organisms, and under anoxic and/or reducing conditions, Fe 2+ is the dominant form of iron available to bacteria. The ferrous iron transport (Feo) system is the primary prokaryotic Fe 2+ import machinery, and two constituent proteins (FeoA and FeoB) are conserved across most bacterial species. However, how FeoA and FeoB function relative to one another remains enigmatic. In this work, we explored the distribution of feoAB operons encoding a fusion of FeoA tethered to the N-terminal, G-protein domain of FeoB via a connecting linker region. We hypothesized that this fusion poises FeoA to interact with FeoB to affect function. To test this hypothesis, we characterized the soluble NFeoAB fusion protein from Bacteroides fragilis, a commensal organism implicated in drug-resistant infections. Using X-ray crystallography, we determined the 1.50-Å resolution structure of BfFeoA, which adopts an SH3-like fold implicated in protein–protein interactions. Using a combination of structural modeling, small-angle X-ray scattering, and hydrogen–deuterium exchange mass spectrometry, we show that FeoA and NFeoB interact in a nucleotide-dependent manner, and we mapped the protein–protein interaction interface. Finally, using guanosine triphosphate (GTP) hydrolysis assays, we demonstrate that BfNFeoAB exhibits one of the slowest known rates of Feo-mediated GTP hydrolysis that is not potassium-stimulated. Importantly, truncation of FeoA from this fusion demonstrates that FeoA–NFeoB interactions function to stabilize the GTP-bound form of FeoB. Taken together, our work reveals a role for FeoA function in the fused FeoAB system and suggests a function for FeoA among prokaryotes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Templating Bicarbonate in the Second Coordination Sphere Enhances Electrochemical CO 2 Reduction Catalyzed by Iron Porphyrins

Bicarbonate-based electrolytes are ubiquitous in aqueous electrochemical CO 2 reduction, particularly in heterogenous catalysis, where they demonstrate improved catalytic performance relative to other buffers. In contrast, the presence of bicarbonate in organic electrolytes and its roles in homogeneous electrocatalysis remain underexplored. Here, we investigate the influence of bicarbonate on iron porphyrin-catalyzed electrochemical CO 2 reduction. In this work, we show that bicarbonate is a viable proton donor in organic electrolyte (p K a = 20.8 in dimethyl sulfoxide) and that urea pendants in the second coordination sphere can be used to template bicarbonate in the vicinity of a molecular iron porphyrin catalyst. The templated binding of bicarbonate increases its acidity, resulting in a 1500-fold enhancement in catalytic rates relative to unmodified parent iron porphyrin. This work emphasizes the importance of bicarbonate speciation in wet organic electrolytes and establishes second-sphere bicarbonate templating as a design strategy to harness this adventitious acid and enhance CO 2 reduction catalysis.

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

Effects of soluble electron shuttles on microbial iron reduction and methanogenesis

In many aquatic and terrestrial ecosystems, iron (Fe) reduction by microorganisms is a key part of biogeochemical cycling and energy flux. The presence of redox-active electron shuttles in the environment potentially enables a phylogenetically diverse group of microbes to use insoluble iron as a terminal electron acceptor. We investigated the impact that different electron shuttles had on respiration, microbial physiology, and microbial ecology. We tested eight different electron shuttles, seven quinones and riboflavin, with redox potentials between 0.217 and −0.340 V. Fe(III) reduction coupled with acetate oxidation was observed with all shuttles. Once Fe(III) reduction began to plateau, a rapid increase in acetate consumption was observed and coincided with the onset of methane production, except in the incubations with the shuttle 9,10-anthraquinone-2-carboxylic acid (AQC). The rates of iron reduction, acetate consumption, methanogenesis, and the microbial communities varied significantly across the different shuttles independent of redox potential. In general, shuttles appeared to reduce the overall diversity of the community compared to no shuttle controls, but certain shuttles were exceptions to this trend. Geobacteraceae were the predominant taxonomic family in all enrichments except in the presence of AQC or 1,2-dihydroxyanthraquinone (AQZ), but each shuttle enriched a unique community significantly different from the no shuttle control conditions. This suggests that the presence of different redox-active electron shuttles can have a large influence on the microbial ecology and total carbon flux in the environment.

Anaerobic Redox Reactions↗
DOE OSTI2024

A shift between mineral and nonmineral sources of iron and sulfur causes proteome-wide changes in Methanosarcina barkeri

ABSTRACT Iron (Fe) and sulfur (S) are required elements for life, and changes in their availability can limit the ecological distribution and function of microorganisms. In anoxic environments, soluble Fe typically exists as ferrous iron [Fe(II)] and S as sulfide (HS − ). These species exhibit a strong affinity that ultimately drives the formation of sedimentary pyrite (FeS 2 ). Recently, paradigm-shifting studies indicate that Fe and S in FeS 2 can be made bioavailable by methanogens through a reductive dissolution process. However, the impact of the utilization of FeS 2 , as opposed to canonical Fe and S sources, on the phenotype of cells is not fully understood. Here, shotgun proteomics was utilized to measure changes in the phenotype of Methanosarcina barkeri MS grown with FeS 2 , Fe(II)/HS − , or Fe(II)/cysteine. Shotgun proteomics tracked 1,019 proteins overall, with 307 observed to change between growth conditions. Functional characterization and pathway analyses revealed these changes to be systemic and largely tangential to Fe/S metabolism. As a final step, the proteomics data were viewed with respect to previously collected transcriptomics data to deepen the analysis. Presented here is evidence that M. barkeri adopts distinct phenotypes to exploit specific sources of Fe and S in its environment. This is supported by observed protein abundance changes across broad categories of cellular biology. DNA adjacent metabolism, central carbon metabolism methanogenesis, metal trafficking, quorum sensing, and porphyrin biosynthesis pathways are all features in the phenotypic differentiation. Differences in trace metal availability attributed to complexation with HS − , either as a component of the growth medium [Fe(II)/HS − ] or generated through reduction of FeS 2 , were likely a major factor underpinning these phenotypic differences. IMPORTANCE The methanogenic archaeon Methanosarcina barkeri holds great potential for industrial bio-mining and energy generation technologies. Much of the biochemistry of this microbe is poorly understood, and its characterization will provide a glimpse into biological processes that evolved close to life’s origin. The discovery of its ability to extract iron and sulfur from bulk, solid-phase minerals shifted a longstanding paradigm that these elements were inaccessible to biological systems. The full elucidation of this process has the potential to help scientists and engineers extract valuable metals from low-grade ore and mine waste generating energy in the form of methane while doing so.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

An iron evaluation story: from TALYS model parameters to validation on the ASPIS benchmark with the Monte-Carlo code TRIPOLI-4

Iron is a widespread structural material in nuclear applications. However some benchmark studies show that for many libraries, including TENDL-2019, producing good iron evaluations is still an open challenge. This work aims at improving TENDL-2019 {sup 56}Fe and {sup 54}Fe evaluations through feedbacks from experimental data and Monte Carlo results of the iron benchmark ASPIS. Part of the T6 code infrastructure was used to produce the evaluations. In the new evaluations, particular attention to resonance parameters and formalism was paid to address the importance of elastic scattering. The total inelastic scattering and inelastic continuum cross sections were shaped by modifying the input parameters of TALYS, one of the T6 codes. Additionally, it was necessary to normalise some reaction channels to those of JENDL-4.0. With the new files ASPIS results, obtained with the Monte Carlo code TRIPOLI-4, improved noticeably compared to TENDL 2019. The evaluations and parameter setting modifications are to be included into TENDL-2021. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Structural and Electronic Complexities of a Sulfur‐Bridged Di‐Iron Complex Composed of Mono‐ and Di‐Nitrosyl Units

The delocalized, thermodynamically stable cation, [(N 2 S 2 )Fe(NO)•Fe(NO) 2 ] + , an adduct of mono-nitrosyl and dinitrosyl iron units, is analyzed to address the unusual stability of the sulfur-bridged diiron complex in its three overall redox levels, +, 0, and −. X-ray diffraction and myriad spectroscopic techniques probe products of sequential electron uptake in the corresponding neutral and anionic species. Conundrums include unified blueshifts of the overall 3-band, ν(NO), pattern with added electrons. One-electron reduction changes the anti-ferromagnetically coupled, S = 0, cationic diiron species to the neutral analog, S = ½, with unpaired spin mainly localized on the MNIU, which decreases its ∠Fe–N–O angle by 10 degrees in response to the extra electron density. Subsequent reduction to the anionic species, S = 1, involves a major geometric change at the MNIU, which moves the Fe in {Fe(NO)} 8 out of the N 2 S 2 plane. Site-specific 15 N labeling of nitrosyl in the MNIU confirms the IR analysis and shows rapid NO exchange between the MNIU/DNIU (mono-nitrosyl iron unit/dinitrosyl iron unit) pairs during its synthesis at RT. Mössbauer spectroscopy, S K-edge XAS, and molecular orbital calculations confirm the ability of NO and the versatility of sulfur bridges to buffer and distribute electrons, a key to their major importance in metalloenzymes.

DNIC↗
DOE OSTI2024

Unlocking High Capacity and Reversible Alkaline Iron Redox Using Silicate-Sodium Hydroxide Hybrid Electrolytes

Alkaline iron (Fe) batteries are attractive due to the high abundance, low cost, and multiple valent states of Fe but show limited columbic efficiency and storage capacity when forming electrochemically inert Fe 3 O 4 on discharging and parasitic H 2 on charging. Herein, sodium silicate is found to promote Fe(OH) 2 /FeOOH against Fe(OH) 2 /Fe 3 O 4 conversions. Electrochemical experiments, operando X-ray characterization, and atomistic simulations reveal that improved Fe(OH) 2 /FeOOH conversion originates from (i) strong interaction between sodium silicate and iron oxide and (ii) silicate-induced strengthening of hydrogen-bond networks in electrolytes that inhibits water transport. Furthermore, the silicate additive suppresses hydrogen evolution by impairing energetics of water dissociation and hydroxyl de-sorption on iron surfaces. In conclusion, this new silicate-assisted redox chemistry mitigates H 2 and Fe 3 O 4 formation, improving storage capacity (199 mAh g -1 in half-cells) and coulombic efficiency (94 % after 400 full-cell cycles), paving a path to realizing green battery systems built from earth-abundant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Olefin methylation over iron zeolites and the methanol to hydrocarbons reaction

The effect of olefin addition to a stream of dimethyl ether on the methanol homologation reaction is investigated using iron-substituted zeolites Fe-beta and Fe-ZSM-5. The reaction was investigated using plug-flow microreactors in the temperature range of 240–400 °C, at a total pressure of 0.239 MPa and a WHSV of 6.12 (g DME/ gcat -hr). For Fe-beta (Si/Fe= 9.2) catalysts, isobutene co-feeding almost doubles dimethyl ether (DME) consumption rate and shifts selectivity towards larger olefins with carbon numbers from 5 to 7. Addition of isobutene above 6.3%, however, resulted in a reduction of DME consumption rates, an effect assigned to the replacement of surface methoxy groups for adsorbed olefins in the zeolite pores. Below a temperature of 340 °C hydride-transfer rates are negligible; reaction rates are stable for over 5.5 h and the products consist almost exclusively of olefins and a small amount of methane. Above 360 °C the onset of catalytic hydride transfer processes is observed leading to fast catalyst deactivation rates and an increase in the concentration of aromatic species. Iron ZSM-5 (Si/Fe = 21.4) catalysts under similar reaction conditions consumes methanol faster than Fe-beta at approximately three times the TOF (on a per iron basis). The Fe-ZSM-5 catalyst was selective to a distribution of products (C5 to C8) as compared to Fe-beta which was selective to primarily C5 and C7. Co-feeding larger olefins (2-methyl-2-butene, 2,3-dimethyl-2-butene, 2,3,3-trimethyl-1-butene, and 2,4,4-trimethyl-2-pentene) at a 3.9% olefin concentration over Fe-beta changed selectivity towards cracking products (C4 compounds such as isobutene). As the size of the olefin increases, a reduction of DME consumption rate is also observed. Here these results show that co-feeding olefins with DME over Fe-zeolites is a promising route to increase methylation rates at relatively low temperatures producing larger branched olefins and that the product distribution is highly dependent on the zeolite pore size and structure of the olefin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Iron incorporation in synthetic precipitated calcium silicate hydrates

Effect of Fe{sup 3+} on the precipitation of synthetic calcium silicate hydrates (C-S-H) under controlled conditions has been evaluated. Using extremely basic either initial calcium nitrate or sodium silicate solutions (pH > 11), incipient formation of ferrihydrite in both solutions was observed. In this case both C-S-H and iron-containing siliceous hydrogarnet are formed. For pH < 11, ferrihydrite was absent. Only C-S-H is formed. The presence of magnetically dilute Fe{sup 3+} in the C-S-H was shown by EPR and the atomic Fe/Si ratio of the C-S-H phase was shown to be between 0.01% and 0.1% by measuring and modelling the {sup 29}Si spin-lattice relaxation in NMR experiments. A uniform distribution of Fe{sup 3+} when C-S-H precipitates in the absence of initial ferrihydrite is obtained. When initial ferrihydrite is present, a non-uniform distribution of Fe{sup 3+} is found and the concentration of Fe{sup 3+} in the C-S-H is merely 3% of the overall iron concentration, suggesting the initial formation of ferrihydrite restricts the incorporation of iron into C-S-H.

36 MATERIALS SCIENCE↗