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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Controlled decomposition and oxidation: A treatment method for gaseous process effluents

The safe disposal of effluent gases produced by the electronics industry deserves special attention. Due to the hazardous nature of many of the materials used, it is essential to control and treat the reactants and reactant by-products as they are exhausted from the process tool and prior to their release into the manufacturing facility's exhaust system and the atmosphere. Controlled decomposition and oxidation (CDO) is one method of treating effluent gases from thin film deposition processes. CDO equipment applications, field experience, and results of the use of CDO equipment and technological advances gained from the field experiences are discussed.

Mckinley, Roger J. B., Sr.↗
DOE OSTI2020

Broadband Tunable Mid-infrared Plasmon Resonances in Cadmium Oxide Nanocrystals Induced by Size-Dependent Nonstoichiometry

A central theme of nanocrystal (NC) research involves synthesis of dimension-controlled NCs and study of size-dependent scaling laws governing their optical, electrical, magnetic, and thermodynamic properties. In this paper, we describe the synthesis of monodisperse CdO NCs that exhibit high quality-factor (up to 5.5) mid-infrared (MIR) localized surface plasmon resonances (LSPR) and elucidate the inverse scaling relationship between carrier concentration and NC size. The LSPR wavelength is readily tunable between 2.4 and similar to 6.0 μm by controlling the size of CdO NCs. Structural and spectroscopic characterization provide strong evidence that free electrons primarily originate from self-doping due to NC surface-induced nonstoichiometry. The ability to probe and to control NC stoichiometry and intrinsic defects will pave the way toward predictive synthesis of doped NCs with desirable LSPR characteristics.

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

Materials Data on CdSO4 by Materials Project

CdSO4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four sulfur trioxide molecules and two CdO ribbons oriented in the (0, 0, 1) direction. In each CdO ribbon, there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cd–O bond lengths are 1.98 Å. In the second Cd2+ site, Cd2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cd–O bond lengths are 2.00 Å. O2- is bonded in a bent 150 degrees geometry to two Cd2+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Static evaluation of surface coatings for compliant gas bearings in an oxidizing atmosphere to 650 C

Hard wear-resistant coatings and soft low shear strength coatings were developed for an air-lubricated compliant journal bearing for a future automotive gas turbine engine. The coatings were expected to function in either 540 or 650 C ambient. Soft lubricant coatings were generally limited in temperature. Therefore emphasis was on the hard wear-resistant coatings. The coating materials covered were TiC, B4C, Cr3C2, WC, SiC, CrB2, TiB2, Cr2O3, Al2O3, Si3N4, Tribaloy 800, CaF2, CaF2-BaF2 eutectic, Ni-Co, silver, CdO-graphite and proprietary compounds. The coatings on test coupons were subjected to static oven screening tests. The test consisted of exposure of material samples in an oven for 300 h at the maximum temperature (540 or 650 C) and ten temperature cycles from room temperature to the maximum service temperature. On the basis of the specimen examinations the following coatings were recommended for future wear tests: TiC (sputtered), Cr2O3 (sputtered), Si3N4 (sputtered), CdO and graphite (fused), Kaman DES (a proprietary coating), CrB2 (plasma sprayed), Cr3C2 (detonation gun) and NASA PS-106 (plasma sprayed).

Bhushan, B.↗
NASA NTRS1938

Correction of Profile-Drag Results from Variable-Density Tunnel and the Effect on the Choice of Wing-Section Thickness

Profile-drag coefficients published from tests in the N.A.C.A. variable-density tunnel (Technical Reports Nos. 460, 537, 586, and 610, references 1 to 4) have tended to appear high as compared with results from the N.A.C.A. full-scale tunnel (Technical Report No. 530, reference 5) and from foreign sources (references 6 to 8). Such discrepancies were considered in Technical Report No. 586, and corrections for turbulence and tip effects were derived that tended to reduce the profile-drag coefficients, particularly for the thicker airfoils. The corrected profile-drag coefficients, designated by the lower-case symbol cdo as contrasted with the older CDO, have been employed in the airfoil reports published since Technical Report No. 460, but even these corrected results continued to appear high, particularly for the thicker sections. The important practical result is that a smaller increase of drag with airfoil thickness is indicated, which may be of primary importance to the airplane designer in choosing the optimum airfoil sections for actual wings. Further investigations of this subject were, of course, undertaken, one of the most important being an investigation of three symmetrical sections N.A.C A. 0009, 0012, and 0018 under conditions of low turbulence in the full-scale tunnel. Preliminary results from this investigation also indicate a smaller increase in drag with airfoil thickness than the results from the variable-density tunnel. Furthermore, comparative tests made in the two tunnels by applying strings to the surface of the N.A.C.A. 0012 airfoil to move the transition point to a predetermined position indicated that the effective reynolds Number concept would account approximately for the drag as affected by the position of transition from laminar to turbulent flow in the boundary layer.

Jacobs, Eastman N.↗
DOE OSTI2025

Exploring capabilities of Micro-Fabricated 3D-printed capsules for studying effects of material mix on thermonuclear burn

The introduction of a high-precision, 3D-printing method, known as two-photon polymerization (2PP), has created a new means of producing novel targets to study inertial confinement fusion (ICF). Here, this work aims to explore if 2PP fabricated capsules can meet ICF requirements such as size, uniformity, deuteration degree, and ability to maintain gas fill. Two types of capsules with 3D-printed lattices were evaluated on the Omega-60 Laser Facility: (1) carbon-deuterium-oxygen (CDO) lattice with a H 2 gas fill and (2) carbon-hydrogen-oxygen (CHO) lattice with a D 2 gas fill. Experimental results and numerical simulations, which assumed complete mixing of capsule materials, reasonably agreed for both target types. A further study into the effects of capsule preheat or 2PP geometry on material mix is underway. Our work demonstrates that the unique capabilities of customizable, 3D-printed capsules present promising opportunities for further investigation into more sophisticated mix and burn experiments in ICF.

2PP↗
DOE OSTI2021

Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center

Thiol dioxygenases are a subset of nonheme iron oxygenases that catalyze the formation of sulfinic acids from sulfhydryl-containing substrates and dioxygen. Among this class, cysteine dioxygenases (CDOs) and 3-mercaptopropionic acid dioxygenases (3MDOs) are the best characterized, and the mode of substrate binding for CDOs is well understood. However, the manner in which 3-mercaptopropionic acid (3MPA) coordinates to the nonheme iron site in 3MDO remains a matter of debate. A model for bidentate 3MPA coordination at the 3MDO Fe-site has been proposed on the basis of computational docking, whereas steady-state kinetics and EPR spectroscopic measurements suggest a thiolate-only coordination of the substrate. To address this gap in knowledge, we determined the structure of Azobacter vinelandii 3MDO (Av3MDO) in complex with the substrate analog and competitive inhibitor, 3-hydroxypropionic acid (3HPA). The structure together with DFT computational modeling demonstrates that 3HPA and 3MPA associate with iron as chelate complexes with the substrate-carboxylate group forming an additional interaction with Arg168 and the thiol bound at the same position as in CDO. A chloride ligand was bound to iron in the coordination site assigned as the O 2 -binding site. Supporting HYSCORE spectroscopic experiments were performed on the (3MPA/NO)-bound Av3MDO iron nitrosyl (S = 3/2) site. In combination with spectroscopic simulations and optimized DFT models, this work provides an experimentally verified model of the Av3MDO enzyme–substrate complex, effectively resolving a debate in the literature regarding the preferred substrate-binding denticity. These results elegantly explain the observed 3MDO substrate specificity, but leave unanswered questions regarding the mechanism of substrate-gated reactivity with dioxygen.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dynamics of HCN, HNC, and HNCO Formation in the 193 nm Photodissociation of Formamide

Formamide (NH 2 CHO) is the simplest molecule containing a peptide linkage [-NH-C($=$O)-], and it plays an essential role in the study of prebiotic chemistry. Exposure to UV irradiation allows formamide to decompose and act as a prebiotic feedstock in the formation of nucleobases and other necessary starting materials. The photodissociation mechanism of gaseous formamide at 193 nm is studied using (a) chirped-pulse Fourier transform millimeter-wave spectroscopy in the 260-290 GHz spectral region in a room-temperature flow-tube reactor at 1 mu bar pressure, (b) a combination of electronic structure theory, transition state theory, and quasiclassical trajectories, and (c) the Active Thermochemical Tables. The HCN and HNC photoproducts of hydrogenated (NH 2 CHO) and deuterated (NH 2 CDO and ND 2 CHO) formamide precursors are examined to gain insight into the photodissociation mechanism. Here, the theoretical investigation has characterized the main pathway leading to each of the HCN/HNC isomers from the precursor isotopologues. The theoretical branching ratio [HNC]/[HCN] = 2.1 for nascent photofragments agrees with the experiment. The effect of the postphotolysis HNC ↔ HCN isomerization on the [HNC]/[HCN] ratio is predicted. We report the experimental branching ratio [HNCO]: ([HNC] + [HCN]) = 12 ± 3 and propose that most of HNCO originates from dissociation on the S-1 electronic state of formamide.

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

Aldol Condensation and Esterification over Ti-Substituted *BEA Zeolite: Mechanisms and Effects of Pore Hydrophobicity

Aldol condensation and esterification reactions provide paths to upgrade ethanol and acetaldehyde to higher- value molecules useful as fuels or intermediates for the synthesis of polymers. Transition-metal-substituted BEA zeolites (M-BEA) catalyze these reactions; however, the mechanisms for these processes in M-BEA and the effects of incidental or purposefully included silanol groups are not reported. Here, we combine kinetic and spectroscopic measurements obtained during catalytic reactions of acetaldehyde (CH 3 CHO), ethanol (C 2 H 5 OH), and hydrogen (H 2 ) mixtures over a series of Ti-BEA catalysts that possess a known range of silanol group densities to examine the kinetic relevance of intervening steps and the impact of silanol groups on catalytic rates. Across all Ti-BEA, rates for aldol condensation and esterification increase with the pressure of CH 3 CHO; however, C 2 H 5 OH and H 2 O weakly inhibit the rates of these reactions. The substitution of CD 3 CDO for CH 3 CHO decreases aldol condensation rates slightly (~10%) but leads to greater esterification rates (2- to 5-fold). The kinetic isotope effects together with the measured dependence of rates on reactant pressures suggest that aldol condensation and esterification occur on unoccupied Ti sites and involve multiple kinetically relevant steps. CH 3 CHO deprotonates irreversibly, and the kinetically relevant nucleophilic attack of the enolate to CH 3 CHO* (i.e., adsorbed CH 3 CHO on Ti sites) leads to aldol products, while the nucleophilic attack of the enolate to C 2 H 5 OH* gives esters. Selectivities toward aldol condensation increase with the ratio of CH 3 CHO to C 2 H 5 OH pressure and with increases in the silanol density of the as-synthesized Ti-BEA. During catalysis, in situ infrared spectroscopy demonstrates that these silanol groups react with C 2 H 5 OH to form ethoxysilane groups (i.e., SiOC 2 H 5 ) that modify the polarity of the environment near Ti active sites. As initial silanol densities increase, steady-state turnover rates for aldol condensation and esterification increase by factors of 5 and 2, respectively. The changes in rates and selectivities among Ti-BEA catalysts likely reflect changes in excess free energies of transition states for enolization and nucleophilic attack of the enolate to adsorbed coreactants. The differences in excess stability report on the interactions among reactive intermediates at framework Ti atoms and the ethoxysilane and remaining silanol groups present. Furthermore, the in situ modification of these pore environments confers changes in the stability of reactive species in a manner that contradicts intuition when considering the initial state of the catalyst but can be reconciled after accounting for the formation of persistent alkoxy surface moieties in the pores.

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

Gravimeter Search for Compact Dark Matter Objects Moving in the Earth

Dark matter could be composed of compact dark objects (CDOs). These objects may interact very weakly with normal matter and could move freely inside the Earth. A CDO moving in the inner core of the Earth will have an orbital period near 55 min and produce a time-dependent signal in a gravimeter. Data from superconducting gravimeters rule out such objects moving inside the Earth unless their mass m D and or orbital radius a are very small so that m D a < 1.2 × 10 - 13 M ⊕ R ⊕ . Here, M ⊕ and R ⊕ are the mass and radius of the Earth, respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Materials Data on CdHgO2 by Materials Project

CdO(HgO) crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.02 Å. Cd2+ is bonded to six equivalent O2- atoms to form edge-sharing CdO6 octahedra. All Cd–O bond lengths are 2.36 Å. O2- is bonded to one Hg2+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd3Hg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Oxides related to cadmium telluride solar cells

Polycrystalline cadmium telluride (CdTe) is a leading material in photovoltaic technology due to its high absorption coefficient and near-optimum bandgap of 1.44 eV. It is known that CdTe film processing can promote surface oxidation depending on the growth environment and upon exposure to different oxidation conditions. For example, CdTeO3 forms when the CdTe film is treated in heated dry air, while in humid air, CdTe2O5 is detected. These oxides feature tellurium in the oxidation state +4 compared to the +2 state in CdTe. Other possible relevant oxides are CdO, TeO2, and TeO3. Using hybrid density functional calculations, we studied the electronic structure of these oxide materials and their band alignment to CdTe, which are essential parameters in the characterization of the interfaces at grain boundaries. The goal is to understand their stability and possible effects on passivating grain boundaries. The results are compared to the available experimental data.

14 SOLAR ENERGY↗
NASA NTRS1972

Cadmium poisoning of oxygen reduction on platinum electrode in potassium hydroxide

Experiment with a rotating disk and ring apparatus showed no poisoning by cadmium in 8.5 M KOH, alone or with Cl(-) or CO3(=). Poisoning does not occur either in 0.1 M KOH supernatant at CdO, but a partially reversible poisoning results from .0001 M CdCl2 and traces of fatty acid are present. Evidence indicates that the catastrophic poisoning affects the four-electron O2 reduction more than it does the one-electron H3O(+) discharge.

Miller, R. O.↗
NASA NTRS1977

Friction and wear behavior of graphite fiber reinforced polyimide composites

The friction and wear rate characteristics of 50/50 (weight per cent) graphite fiber-polyimide composites were studied by sliding metallic hemispherically tipped riders against disks made from the composites. Two different polyimides and two different graphite fibers were evaluated. Also studied were such variables as the effect of adding 10 per cent weight additions of powdered (CF-1.1)n, CdI2, or CdO, the effect of moisture in an air atmosphere, the effect of temperature, and the effect of different sliding speeds. In general, wear to the metallic riders was negligible and composite wear increased at a constant rate as a function of number of sliding cycles.

Fusaro, R. L.↗
NASA NTRS1978

Some effects of composition on friction and wear of graphite-fiber-reinforced polyimide liners in plain spherical bearings

Oscillating, plain spherical bearings with graphite-fiber-reinforced polyimide (GFRPI) liners were tested for friction and wear from 25 to 315 C. A condensation polymer was compared with an addition polymer, and a high-modulus fiber was compared with a lower cost, low-modulus fiber. All polymer-fiber combinations gave friction coefficients from 0.05 to 0.18 and low wear. Adding CdO and CdI2 reduced the wear of degassed bearings in dry air. These additives were not needed when the bearing liners contained adsorbed moisture. Although, at 25 C, MoS2 reduced the friction and wear of the base composite at unit loads above 70,000,000 N/m squared (10,000 psi), it had no beneficial effect at lighter loads.

Sliney, H. E.↗
NASA NTRS1978

Hydrodynamic air lubricated compliant surface bearing for an automotive gas turbine engine. 2: Materials and coatings

Material coatings for an air-lubricated, compliant journal bearing for an automotive gas turbine engine were exposed to service test temperatures of 540 C or 650 C for 300 hours, and to 10 temperature cycles from room temperatures to the service test temperatures. Selected coatings were then put on journal and partial-arc foils and tested in start-stop cycle tests at 14 kPa (2 psi) loading for 2000 cycles. Half of the test cycles were performed at a test chamber service temperature of 540 C (1000 F) or 650 C (1200 F); the other half were performed at room temperature. Based on test results, the following combinations and their service temperature limitations are recommended: HL-800 TM (CdO and graphite) on foil versus chrome carbide on journal up to 370 C (700 F); NASA PS 120 (Tribaloy 400, silver and CaF2 on journal versus uncoated foil up to 540 C (1000 F); and Kaman DES on journal and foil up to 640 C (1200 F). Kaman DES coating system was further tested successfully at 35 kPa (5 psi) loading for 2000 start-stop cycles.

Bhushan, B.↗
NASA NTRS1978

Graphite-fiber-reinforced polyimide liners of various compositions in plain spherical bearings

Composites made of graphite-fiber-reinforced polyimide (GFRPI) with a fiber-resin ratio (by weight) of about 1 were evaluated as molded outer-race liners in plain spherical bearings. Several compositions were examined: two types of polyimide (addition and condensation polymers), two types of graphite fiber (high and low modulus) and four powder additives (CdO, CdI2, (CF1.1)n, and MoS2). Friction and wear were measured during oscillation at 25, 200, and 315 C. It is shown that all compositions provided good lubrication in dry air, that neither type of polyimide or graphite fiber nor the additives gave a clear advantage, and that wear rates were always higher during run-in, before conditions stabilized. It is concluded that GFRPI composites are self-lubricating under all but the most extreme moisture-free conditions at 25 C. The additives are helpful only with very high loads or extremely dry environments.

Sliney, H. E.↗
NASA NTRS1978

Development of surface coatings for air-lubricated, compliant journal bearings to 650 C

Surface coatings for an air-lubricated, compliant journal for an automotive gas turbine engine were tested to find those capable of withstanding temperatures of either 540 C (1000 F) or 650 C (1200 F). Also, the coatings have to be capable of surviving the start-stop sliding contact cycles prior to rotor lift-off and at touchdown. Selected coating combinations were tested in start-stop tests at 14 kPa (2 psi) loading for 2000 cycles at room and maximum temperatures. Specific coating recommendations are: Cdo and graphite on foil versus chrome carbide on journal up to 370 C (700 F); NASA PS-120 (Tribaloy 400, silver, and CaF2) on journal versus uncoated foil up to 540 C (1000 F); and chemically adherent Cr2O3 on journal and foil up to 650 C (1200 F). The chemically adherent Cr2O3 coating system was further tested successfully at 35 kPa (5 psi) loading for 2000 start-stop cycles.

Bhushan, B.↗