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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Oxidation and Reduction of Polycrystalline Cerium Oxide Thin Films in Hydrogen

This study investigates the oxidation state of ceria thin films' surface and subsurface under 100 mTorr hydrogen using ambient pressure X-ray photoelectron spectroscopy. We examine the influence of the initial oxidation state and sample temperature (25-450 °C) on the interaction with hydrogen. Our findings reveal that the oxidation state during hydrogen interaction involves a complex interplay between oxidizing hydride formation, reducing thermal reduction, and reducing formation of hydroxyls followed by water desorption. In all studied conditions, the subsurface exhibits a higher degree of oxidation compared to the surface, with a more subtle difference for the reduced sample. The reduced samples are significantly hydroxylated and covered with molecular water at 25 °C. We also investigate the impact of water vapor impurities in hydrogen. We find that although 1 × 10 -6 Torr water vapor oxidizes ceria, it is probably not the primary driver behind the oxidation of reduced ceria in the presence of hydrogen.

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

Diffusion characteristics of water molecules in a lamellar structure formed by triblock copolymers

The distribution and diffusion of water molecules are playing important roles in determining self-assembly and transport properties of polymeric systems. Small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulation have been applied to understand the distribution of water molecules and their dynamics in the lamellar membrane formed by Pluronic L62 block copolymers. Penetration of water molecules into the polyethylene oxide (PEO) layers of the membranes has been estimated using scattering length density (SLD) profiles obtained from SANS measurements, which agree well with the molecular distribution observed from MD simulations. The water diffusion coefficient at different regions of the lamellar membrane was further investigated using MD simulation. The diffusion characteristic shows a transition from normal to anomalous diffusion as the position of the water molecule changes from the bulk to PEO and to the polypropylene oxide (PPO) layer. Here we find that water molecules within the PEO or PPO layers follow subdiffusive dynamics, which can be interpreted by the model of fractional Brownian motion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Indicators of transport and vertical motion from correlations between in situ measurements in the Airborne Antarctic Ozone Experiment

Analysis of small-scale structure in the in situ measurements made from the ER-2 during the Airborne Antarctic Ozone Experiment shows the existence of a region at the boundary of the chemiclly perturbed region where the mixing ratios and small-scale structure of trace gases are influenced by transport across the boundary. This transition region is characterized by horizontal interchange and vertical layering of air parcels from within and outside of the chemically perturbed region and negative small-scale correlations between ClO and ozone. The horizontal transport in this region creates large surface areas between dissimilar air masses, providing the potential for substantial mixing. Correlations between ClO and O3 show that the transition region extends to 2-4 deg of latitude to either side of the boundary of the chemically perturbed region. A + or - 4-deg-wide transition region would contain nearly as much air as the chemically perturbed region proper. Analysis of water vapor and nitrous oxide data suggests that diabatic descent is associated with dehydration. This could be caused by strong radiative cooling of those polar stratospheric clouds in which enough water condenses for the particles to fall and dehydrate the air.

Murphy, D. M.↗
DOE OSTI2021

Oxygen Generation via Water Splitting by a Novel Biogenic Metal Ion-Binding Compound

The discovery that MB will couple the oxidation of H 2 O to metal ion reduction and the release of O 2 suggests that methanotrophs expressing MB may be able to maintain their activity under hypoxic/anoxic conditions through the “self-generation” of dioxygen required for the initial oxidation of methane to methanol. Such an ability may be an important factor in enabling methanotrophs to not only colonize the oxic-anoxic interface where methane concentrations are highest but also tolerate significant temporal fluctuations of this interface.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1997

Plasma-Sprayed Refractory Oxide Coatings on Silicon-Base Ceramics

Silicon-base ceramics are promising candidate materials for high temperature structural applications such as heat exchangers, gas turbines and advanced internal combustion engines. Composites based on these materials are leading candidates for combustor materials for HSCT gas turbine engines. These materials possess a combination of excellent physical and mechanical properties at high temperatures, for example, high strength, high toughness, high thermal shock resistance, high thermal conductivity, light weight and excellent oxidation resistance. However, environmental durability can be significantly reduced in certain conditions such as when molten salts, H2 or water vapor are present. The oxidation resistance of silicon-base materials is provided by SiO2 protective layer. Molten salt reacts with SiO2 and forms a mixture of SiO2 and liquid silicate at temperatures above 800C. Oxygen diffuses more easily through the chemically altered layer, resulting in a catastrophic degradation of the substrate. SiC and Si3N4 are not stable in pure H2 and decompose to silicon and gaseous species such as CH4, SiH, SiH4, N2, and NH3. Water vapor is known to slightly increase the oxidation rate of SiC and Si3N4. Refractory oxides such as alumina, yttria-stabilized zirconia, yttria and mullite (3Al2O3.2SiO2) possess excellent environmental durability in harsh conditions mentioned above. Therefore, refractory oxide coatings on silicon-base ceramics can substantially improve the environmental durability of these materials by acting as a chemical reaction barrier. These oxide coatings can also serve as a thermal barrier. The purpose of this research program has been to develop refractory oxide chemical/thermal barrier coatings on silicon-base ceramics to provide extended temperature range and lifetime to these materials in harsh environments.

Tewari, Surendra↗
DOE OSTI2024

Bipolar Membranes With Controlled, Microscale 3D Junctions Enhance the Rates of Water Dissociation and Formation

A soft lithographic method is developed for making bipolar membranes (BPMs) with catalytic junctions formed from arrays of vertically oriented microscale cylinders. The membranes are cast from reusable polydimethylsiloxane (PDMS) molds made from silicon masters, which are fabricated on 2" to 4" wafer scales by nanosphere lithography. High-aspect-ratio junctions are made on a length scale similar to the thickness of optimized catalyst layers for water dissociation, creating a platform for probing the dual effects of catalysis and local electric field at the microscale BPM junction. Optimized polymer materials and nanoscale metal oxide catalysts are used in this study. 3D BPMs are tested under reverse and forward bias conditions, exhibiting superior performance relative to their 2D counterparts. Under forward bias in H 2- O 2 fuel cells, 3D BPMs achieve a current density of 1500 mA cm –2 , ≈7 times higher than 2D membranes made from the same materials.

25 ENERGY STORAGE↗
NASA NTRS1989

Photocatalytic post-treatment in waste water reclamation systems

A photocatalytic water purification process is described which effectively oxidizes organic impurities common to reclaimed waste waters and humidity condensates to carbon dioxide at ambient temperatures. With this process, total organic carbon concentrations below 500 ppb are readily achieved. The temperature dependence of the process is well described by the Arrhenius equation and an activation energy barrier of 3.5 Kcal/mole. The posttreatment approach for waste water reclamation described here shows potential for integration with closed-loop life support systems.

Cooper, Gerald↗
NASA NTRS2010

Water Injection on Commercial Aircraft to Reduce Airport Nitrogen Oxides

The potential nitrogen oxide (NO(x) reductions, cost savings, and performance enhancements identified in these initial studies of waterinjection technology strongly suggest that it be further pursued. The potential for engine maintenance cost savings from this system should make it very attractive to airline operators and assure its implementation. Further system tradeoff studies and engine tests are needed to answer the optimal system design question. Namely, would a low-risk combustor injection system with 70- to 90-percent NO(x) reduction be preferable, or would a low-pressure compressor (LPC) misting system with only 50-percent NO(x) reduction but larger turbine inlet temperature reductions be preferable? The low-pressure compressor injection design and operability issues identified in the report need to be addressed because they might prevent implementation of the LPC type of water-misting system. If water-injection technology challenges are overcome, any of the systems studied would offer dramatic engine NO(x) reductions at the airport. Coupling this technology with future emissions-reduction technologies, such as fuel-cell auxiliary power units will allow the aviation sector to address the serious challenges of environmental stewardship, and NO(x) emissions will no longer be an issue at airports.

Daggett, David L.↗
DOE OSTI2022

Mixed Molecular and Dissociative Water Adsorption on Hydroxylated TiO 2 (110): An Infrared Spectroscopy and Ab Initio Molecular Dynamics Study

For this work, we have investigated the structure and dynamics of water (D 2 O) adsorbed on TiO 2 (110) for coverages between 0 and 1 monolayer with infrared reflection absorption spectroscopy (IRAS) and ab initio molecular dynamics (AIMD) simulations. For D 2 O coverages as low as 0.4 monolayers (ML) on a hydroxylated surface, IR spectra typical of hydrogen-bonded chains of water molecules are observed. However, for D 2 O coverages ≥ 0.3 ML, a sharp, high frequency peak is also observed in the p-polarized spectra that is red-shifted relative to the bridging hydroxyl peak. This new peak is not observed for water adsorbed on an oxidized surface. Based on the AIMD simulations and comparisons with previous IR spectra for TiO 2 nanoparticles, the new peak is assigned to terminal hydroxyl groups produced by dissociative adsorption of some of the water on TiO 2 (110). The simulations indicate that water dissociation is related to the presence of defect electrons in the system, but not due to direct interactions between adsorbed water and bridging hydroxyls.

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

Molten Salts-Driven Discovery of a Polar Mixed-Anion 3D Framework at the Nanoscale: Zn 4 Si 2 O 7 Cl 2 , Charge Transport and Photoelectrocatalytic Water Splitting

Mixed-anion compounds widen the chemical space of attainable materials compared to single anionic compounds, but the exploration of their structural diversity is limited by common synthetic paths. Especially, oxychlorides rely mainly on layered structures, which suffer from low stability during photo(electro)catalytic processes. Herein we report a strategy to design a new polar 3D tetrahedral framework with composition Zn 4 Si 2 O 7 Cl 2 . We use a molten salt medium to enable low temperature crystallization of nanowires of this new compound, by relying on tetrahedral building units present in the melt to build the connectivity of the oxychloride. These units are combined with silicon-based connectors from a non-oxidic Zintl phase to enable precise tuning of the oxygen content. This structure brings high chemical and thermal stability, as well as strongly anisotropic hole mobility along the polar axis. These features, associated with the ability to adjust the transport properties by doping, enable to tune water splitting properties for photoelectrocatalytic H 2 evolution and water oxidation. This work then paves the way to a new family of mixed-anion solids

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

Experimental evaluation of direct current magnetron sputtered and high-power impulse magnetron sputtered Cr coatings on SiC for light water reactor applications

Two types of physical vapor deposition Cr coatings were deposited on chemical vapor deposited SiC coupons using conventional direct current magnetron sputtering (DCMS) and high-power impulse magnetron sputtering (HiPIMS) to mitigate the corrosion of SiC, an advanced fuel and structural material in light water nuclear reactor cores. Coating microstructure was characterized using scanning electron microscopy and scanning transmission election microscopy. X-ray diffraction analysis was conducted for phase identification and qualitative analysis of residual stresses. The mechanical integrity of the coatings was evaluated using scratch testing, micro-indentation, and nano-indentation tests. Additionally, the microstructure of the DCMS coating consisted of fine columnar grains with nanoscale intercolumnar channels, while the HiPIMS microstructure was denser and free of any columnar defects. The DCMS coating showed a small tensile residual stress, while the HiPIMS coating was under compressive stress. Both types of coatings showed good mechanical integrity in terms of ductility and adhesion to the substrate. Corrosion performance of the coatings was assessed with a 30-day high temperature water autoclave test. Both types of coatings formed a protective Cr 2 O 3 surface layer 20-30 nm thick during the autoclave test. In the DCMS coating, the columnar defects provided permeation pathways for water penetration resulting in oxide formation in the intercolumnar regions in the interior of the coating. Overall, both types of Cr coatings offer promise for the mitigation of hydrothermal corrosion of SiC in light water reactor operating environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The reactivity of experimentally reduced lunar regolith simulants: Health implications for future crewed missions to the lunar surface

Crewed missions to the Moon may resume as early as 2026 with NASA's Artemis III mission, and lunar dust exposure/inhalation is a potentially serious health hazard that requires detailed study. Current dust exposure limits are based on Apollo-era samples that spent decades in long-term storage on Earth; their diminished reactivity may lead to underestimation of potential harm that could be caused by lunar dust exposure. In particular, lunar dust contains nanophase metallic iron grains, produced by “space weathering”; the reactivity of this unique component of lunar dust is not well understood. Herein, we employ a chemical reduction technique that exposes lunar simulants to heat and hydrogen gas to produce metallic iron particles on grain surfaces. We assess the capacity of these reduced lunar simulants to generate hydroxyl radical (OH*) when immersed in deionized (DI) water, simulated lung fluid (SLF), and artificial lysosomal fluid (ALF). Lunar simulant reduction produces surface-adhered metallic iron “blebs” that resemble nanophase metallic iron particles found in lunar dust grains. Reduced samples generate ~5–100× greater concentrations of the oxidative OH* in DI water versus non-reduced simulants, which we attribute to metallic iron. SLF and ALF appear to reduce measured OH*. The increase in observed OH* generation for reduced simulants implies high oxidative damage upon exposure to lunar dust. Low levels of OH* measured in SLF and ALF imply potential damage to proteins or quenching of OH* generation, respectively. Reduction of lunar dust simulants provides a quick cost-effective approach to study dusty materials analogous to authentic lunar dust.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Controlling Nb(IV) Defects in SrNbO 2 N Oxygen Evolution Photocatalyst by Ammonolysis With Dinitrogen–Ammonia Mixtures

Strontium niobium oxynitride (SrNbO 2 N) is a promising, corrosion resistant semiconductor for the visible light-driven water splitting reaction, a non-photovoltaic pathway to green hydrogen fuel. However, SrNbO 2 N materials made by ammonolysis usually contain Nb 4+ defect states that cause electron–hole recombination. Here, in this work, we demonstrate that such defects can be minimized by synthesizing SrNbO 2 N from metal oxides in a mixed 13%:87% (vol) NH 3 /N 2 atmosphere. According to electron paramagnetic resonance (EPR), SrNbO 2 N made in pure NH 3 contains paramagnetic impurities with g = 2.002 and 2.195, which can be assigned to lattice and surface Nb 4+ defects. These states also cause broad optical absorptions centered at 800 and 1020 nm, respectively, and the lattice defect produces a 1.55–1.63 eV signal in surface photovoltage spectra. The improved SrNbO 2 N contains five times fewer lattice Nb 4+ defects (8.95 × 10 15 cm −3 ), based on the integrated EPR signal intensity, and supports a water oxidation photocurrent of 1.07 mA cm −2 at 1.23 V versus RHE under simulated sunlight and an apparent quantum efficiency of 5.1% at 400 nm during photocatalytic oxygen evolution. Based on earlier results with LaTiO 2 N and BaTaO 2 N, dilution of NH 3 during synthesis appears generally beneficial to transition metal oxynitrides.

electron paramagnetic resonance↗
NASA NTRS1973

Body water compartments during bed rest: Evaluation of analytical methods

Nine healthy young men were studied to determine the reproducibility and interchangeability of the use of radio-iodinated human serum albumin and Evans Blue dye for estimating plasma volume, sodium bromide for extracellular fluid volume, and deuterium oxide for total body water volume. All subjects were tested in a semibasal condition and allowed to rest for at least 30 min. after arriving at the laboratory. The results indicate that there was uniform distribution of I131 and Evans Blue dye 10 min. after injection and of NaBr and D2O 3 hours after oral ingestion; the buildup of residual tracer did not interfere appreciably with the measurement of either or Evans Blue spaces when they are administered at equal intervals, and the buildup of background tracer after ingestion of NaBr and D2O once per week for three consecutive weeks did not affect the accuracy of the measurement. It was found that I131 and Evans Blue may be used interchangeably for estimating plasma volume; for estimating bromide and D2O spaces, one 3-hour equilibrium blood sample gives results similar to the extrapolation of multiple samples.

Young, H. L.↗
NASA NTRS2004

Oxidation of High-temperature Alloy Wires in Dry Oxygen and Water Vapor

Small diameter wires (150 to 250 microns) of the high temperature alloys Haynes 188, Haynes 230, Haynes 230, Haynes 214, Kanthal Al and PM2000 were oxidized at 1204 C in dry oxygen or 50% H2O /50% O2 for 70 Hours. The oxidation kinetics were monitored using a thermogravimetric technique. Oxide phase composition and morphology of the oxidized wires were determined by X-ray diffraction,field emission scanning electron microscopy, and energy dispersive spectroscopy. The alumina-forming alloys, Kanthal Al and PM2000, out-performed the chromia-forming alloys under this conditions. PM2000 was recommended as the most promising candidate for advanced hybrid seal applications for space reentry control surface seals or hypersonic propulsion system seals. This study also demonstrated that thermogravimetric analysis of small diameter wires is a powerful technique for the study of oxide volatility, oxide adherence, and breakaway oxidation.

Opila, Elizabeth J.↗
NASA NTRS1994

Water Purification

The Vision Catalyst Purifier employs the basic technology developed by NASA to purify water aboard the Apollo spacecraft. However, it also uses an "erosion" technique. The purifier kills bacteria, viruses, and algae by "catalytic corrosion." A cartridge contains a silver-impregnated alumina bed with a large surface area. The catalyst bed converts oxygen in a pool of water to its most oxidative state, killing over 99 percent of the bacteria within five seconds. The cartridge also releases into the pool low levels of ionic silver and copper through a controlled process of erosion. Because the water becomes electrochemically active, no electricity is required.

Source record↗
DOE OSTI2022

Cyclic oxidation behavior of selected commercial NiCr-alloys for engine exhaust valves in wet air environment between 800 and 950 °C

In this work, the impact of water vapor on the cyclic oxidation behavior of four commercial Ni-based superalloys (N80A, N90, R41 and H282) was investigated between 800 and 950°C. Oxidation- and volatilization-induced Cr loss accelerated the transition from protective and adherent oxide formation (Cr 2 O 3 ) to mixed oxides that significantly spalled at 950°C for H282 and R41. The accelerated oxidation, Cr depletion, and spallation susceptibility for R41 and to a lesser extent for H282 compared to N80A and N90 was related to the higher fraction of γ’, which led to increased Ti incorporation into the Cr 2 O 3 scale in the presence of water vapor.

36 MATERIALS SCIENCE↗