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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling plasma-induced surface charge effects on CO 2 activation by single atom catalysts supported on reducible and irreducible metal oxides

Abstract The accumulation of negative surface charge on catalytic surfaces in the presence of low-temperature plasma (LTP) could influence catalytic performance. However, it is difficult to disentangle the role of surface charging and other LTP catalytic effects in experiment. Herein, we use density functional theory (DFT) modeling to understand the effect of plasma-induced surface charging on CO 2 activation by atomically dispersed single atom (SA) catalysts on both reducible and irreducible metal oxide supports. We model CO 2 adsorption strength and CO 2 dissociation barriers for Co 1 , Ni 1 , Cu 1 , Rh 1 , Pd 1 , and Ag 1 SAs on both reducible and irreducible supports, namely, CeO 2 (100), TiO 2 (101), and γ -Al 2 O 3 (110), to elucidate trends. We find that accumulated surface charge on the SA increases the CO 2 adsorption strength and decreases the CO 2 dissociation barrier for all studied SA/support combinations. For both charged and uncharged (neutral) systems, SAs on the reducible CeO 2 (100) support generally adsorb CO 2 more weakly compared to when on irreducible supports like γ -Al 2 O 3 (110). SAs on γ -Al 2 O 3 (110) typically have larger barriers for CO 2 dissociation for both charged and uncharged systems compared to TiO 2 (101) and CeO 2 (100). The magnitude of surface charging effects on CO 2 binding energies and dissociation barriers depends sensitively on both the SA and the support. In some cases, the CO 2 activation trends qualitatively change between neutral and charged systems for a fixed SA across different supports. This DFT modeling study demonstrates that surface charging should be considered in strong electric fields because it can have a large effect on molecule adsorption and bond-breaking on catalytic surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Measurements of β -delayed proton emitters in the region of 100 Sn

An experiment on neutron-deficient nuclei in the region of doubly magic 100 Sn was carried out at the Radioactive Ion Beam Factory (RIBF) at the RIKEN Nishina Center in Japan. 𝑁 ≈ 𝑍 ≈ 50 nuclei were produced following fragmentation of an intense primary 124 Xe beam and implanted in the Advanced Implantation Detector Array silicon setup for the first study of proton-rich nuclei with this system at RIKEN. Measurements of the 𝛽-delayed proton emitter decay half-lives, branching ratios and proton energy spectra of nuclei in the region of 100 Sn were performed, with improved precision in many cases. New results for the energy spectrum of 101 Sn are presented, where a 2.03(5)-MeV peak was observed. In conclusion, these results are compared to shell-model calculations, using the recent precise measurement of the 101 In proton separation energy are presented.

Appleton, C. J. [Univ. of Edinburgh, Scotland (Uni↗
DOE OSTI2026

Direct cross section measurement of 102 Pd ⁢(𝛾,𝑝) and 102 Pd ⁢(𝛾,𝛼) for the astrophysical 𝑝 process

Background: A handful of neutron-deficient stable nuclei, known as the “p nuclei,” cannot be produced through astrophysical neutron capture processes. Instead, some of these nuclei are proposed to be produced by 𝛾-induced reactions on existing r- and s-process seeds. The specific astrophysical site or sites are not yet identified, however, with uncertainties in the cross sections of these 𝛾-induced reactions playing a role. Databases of reaction rates for astrophysical simulations often rely on theoretical statistical model calculations, such as Hauser-Feshbach, for rates where no experimental information is known. However, reasonable variations in the choice of parametrizations of various nuclear properties can create order-of-magnitude variations in the final predicted cross sections and reaction rates, which are then propagated through the models to the predicted final abundances. Purpose: To better constrain these statistical model calculations and ultimately reduce the uncertainties from the nuclear physics on our understanding of the p nuclei, a measurement of the cross sections of 𝛾-induced reactions on the p-nucleus 102 Pd was undertaken. This work represents the first measurement of its kind, using segmented silicon detectors to measure prompt charged particle emission from 𝛾-induced reactions. Methods: Quasimonoenergetic gamma beams from the High Intensity 𝛾 Source facility bombarded an enriched 102 Pd target. A segmented silicon array was arranged to detect the particles emitted from (𝛾,𝑝) and (𝛾,𝛼) reactions. Results: Reaction cross sections were deduced at multiple 𝛾-beam energies between 10 and 19 MeV, and compared to statistical model calculations using talys-1.96. The 102 Pd ⁢(𝛾,𝑝)⁢ 101 Rh reaction cross section was reasonably well reproduced by a subset of photon strength functions and level densities, though the strength to the ground state of 101 Rh was underestimated at higher incident gamma energies. The 102 Pd ⁢(𝛾,𝛼)⁢ 98 Ru was in general overpredicted by the various alpha-nucleus optical model potentials. Conclusions: While the theoretical cross sections used to model the (𝛾,𝑝) reactions for the p process may be reasonable, a more careful approach is needed in the case of (𝛾,𝛼). Further work to probe gamma-induced reaction cross sections at and near the p nuclei is warranted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Interrelationships between nematicity, antiferromagnetic spin fluctuations, and superconductivity: Role of hotspots in FeSe 1 - x S x revealed by high pressure Se 77 NMR study

The sulfur-substituted FeSe, FeSe 1-x S x , is one of the unique systems that provides an independent tunability of nematicity, antiferromagnetism, and superconductivity under pressure (p). Recently, Rana et al. [K. Rana et al., Phys. Rev. B 101, 180503(R) (2020)] reported, from 77 Se nuclear magnetic resonance (NMR) measurements on FeSe 0.91 S 0.09 under pressure, that there exists a clear role of nematicity in the relationship between antiferromagnetic (AFM) spin fluctuations and the superconducting transition temperature (T c ), where the AFM spin fluctuations are more effective in enhancing T c in the absence of nematicity than with nematicity. Here, motivated by the work, we carried out 77 Se NMR measurements on FeSe 1-x S x with x=0.15 and 0.29 under pressure up to 2.10 GPa to investigate the relationship in a wide range of x in the FeSe 1-x S x system. Based on the new results together with the previously reported data for x=0 [P. Wiecki et al., Phys. Rev. B 96, 180502(R) (2017)] and 0.09 [K. Rana et al. Phys. Rev. B 101, 180503(R) (2020)], we established a p–x–temperature (T) phase diagram exhibiting the evolution of AFM spin fluctuations. From the systematic analysis of the NMR data, we found that the superconducting (SC) state in a nematic state arises from a non-Fermi-liquid state with strong stripe-type AFM spin fluctuations, while the SC state without nematicity comes from a Fermi-liquid state with mild stripe-type AFM spin fluctuations. Furthermore, we show that the previously reported impact of nematicity on the relationship between AFM fluctuations and superconductivity holds throughout the wide range of x from x=0 to 0.29 in FeSe 1-x S x under pressure. We discuss the origin of the role of nematicity in terms of the different numbers of hotspots on Fermi surfaces with and without nematicity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Automated Shift Detection in Sensor-Based PV Power and Irradiance Time Series: Preprint

PV power and irradiance sensor-based measurements are prone to error, resulting in issues such as abrupt time series data shifts. These shifts, which are usually unintentional, may be caused by software or hardware configuration changes on a PV system, and do not reflect an actual change in overall system performance. Locating these shifts and segmenting the associated time series aids in more accurate future PV analysis. In this research, an offline changepoint detection (CPD) algorithm that automatically detects these abrupt data shifts in sensor-based time series is introduced. Data shift periods in 101 daily PV power and irradiance time series were labeled manually by two solar experts. These data streams represent sensor-based measurements, and display a variety of data shift behaviors. A changepoint detection algorithm was tuned using the 101 labeled data streams, with each model configuration's ability to detect labeled changepoints benchmarked using metrics such as F1-score, recall, and Rand Index. Best performing models on seasonality-corrected data streams include the Pruned Exact Linear (PELT) method, the Binary Segmentation method, and the Bottom-Up method, all scoring an average F1-score of 0.76 or greater at detecting labeled changepoints within a 30-day window for the labeled data sets. To promote further research in this space, we are releasing the labeled data shift sets on U.S. Department of Energy's (DOE) DuraMAT Data Hub, and the associated algorithm in the Python PVAnalytics package.

changepoint detection↗
DOE OSTI2020

Precursor selection in hybrid molecular beam epitaxy of alkaline-earth stannates

One of the challenges of oxide molecular beam epitaxy (MBE) is the synthesis of oxides containing metals with high electronegativity (metals that are hard to oxidize). The use of reactive organometallic precursors can potentially address this issue. To investigate the formation of radicals in MBE, we explored three carefully chosen metal-organic precursors of tin for SnO 2 and BaSnO 3 growth: tetramethyltin (TMT), tetraethyltin (TET), and hexamethylditin (HMDT). All three precursors produced single-crystalline, atomically smooth, and epitaxial SnO 2 (101) films on r-Al 2 O 3 (101¯2) in the presence of oxygen plasma. The study of growth kinetics revealed reaction-limited and flux-limited regimes except for TET, which also exhibited a decrease in the deposition rate with increasing temperature above ~800 °C. Contrary to these similarities, the performance of these precursors was dramatically different for BaSnO 3 growth. TMT and TET were ineffective in supplying adequate tin, whereas HMDT yielded phase-pure, stoichiometric BaSnO 3 films. Significantly, HMDT resulted in phase-pure and stoichiometric BaSnO 3 films even without the use of an oxygen plasma (i.e., with molecular oxygen alone). Furthermore, these results are discussed using the ability of HMDT to form tin radicals and therefore assisting with Sn → Sn 4+ oxidation reaction. Structural and electronic transport properties of films grown using HMDT with and without oxygen plasma are compared. This study provides guideline for the choice of precursors that will enable the synthesis of metal oxides containing hard-to-oxidize metals using reactive radicals in MBE.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La9B3C6I5 by Materials Project

La9B3C6I5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are five inequivalent La+2.89+ sites. In the first La+2.89+ site, La+2.89+ is bonded to four C4- and three I1- atoms to form distorted LaC4I3 pentagonal bipyramids that share corners with seven LaC3I3 octahedra, edges with four LaC3I3 octahedra, a faceface with one LaC3I3 octahedra, and faces with two equivalent LaC4I3 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 6–45°. There are two shorter (2.80 Å) and two longer (2.82 Å) La–C bond lengths. There are one shorter (3.33 Å) and two longer (3.49 Å) La–I bond lengths. In the second La+2.89+ site, La+2.89+ is bonded to three equivalent C4- and three equivalent I1- atoms to form distorted LaC3I3 octahedra that share corners with three equivalent LaC3I3 octahedra, corners with three equivalent LaC4I3 pentagonal bipyramids, edges with six equivalent LaC3I3 octahedra, and edges with three equivalent LaC4I3 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–101°. There are one shorter (2.51 Å) and two longer (2.64 Å) La–C bond lengths. There are two shorter (3.45 Å) and one longer (3.47 Å) La–I bond lengths. In the third La+2.89+ site, La+2.89+ is bonded in a 8-coordinate geometry to four equivalent C4- and four I1- atoms. All La–C bond lengths are 2.85 Å. There are two shorter (3.57 Å) and two longer (3.82 Å) La–I bond lengths. In the fourth La+2.89+ site, La+2.89+ is bonded to three C4- and three I1- atoms to form distorted LaC3I3 octahedra that share corners with three equivalent LaC3I3 octahedra, corners with four equivalent LaC4I3 pentagonal bipyramids, edges with two equivalent LaC3I3 octahedra, an edgeedge with one LaC4I3 pentagonal bipyramid, and a faceface with one LaC4I3 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 37–101°. There are one shorter (2.54 Å) and two longer (2.64 Å) La–C bond lengths. There are two shorter (3.47 Å) and one longer (3.49 Å) La–I bond lengths. In the fifth La+2.89+ site, La+2.89+ is bonded in a 6-coordinate geometry to three C4- and three I1- atoms. There are one shorter (2.46 Å) and two longer (2.68 Å) La–C bond lengths. There are one shorter (3.48 Å) and two longer (3.51 Å) La–I bond lengths. There are two inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a bent 150 degrees geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.49 Å. In the second B1+ site, B1+ is bonded in a bent 150 degrees geometry to two C4- atoms. Both B–C bond lengths are 1.49 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded in a 1-coordinate geometry to five La+2.89+ and one B1+ atom. In the second C4- site, C4- is bonded in a 1-coordinate geometry to five La+2.89+ and one B1+ atom. In the third C4- site, C4- is bonded in a 1-coordinate geometry to five La+2.89+ and one B1+ atom. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded to five La+2.89+ atoms to form a mixture of distorted edge and corner-sharing ILa5 trigonal bipyramids. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six La+2.89+ atoms. In the third I1- site, I1- is bonded in a 6-coordinate geometry to six La+2.89+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(GaAs)2 by Materials Project

Ba(GaAs)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded to six As3- atoms to form distorted edge-sharing BaAs6 pentagonal pyramids. There are a spread of Ba–As bond distances ranging from 3.31–3.47 Å. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.54–2.60 Å. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.54–2.59 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Ba2+ and three Ga2+ atoms to form a mixture of distorted edge and corner-sharing AsBa3Ga3 octahedra. The corner-sharing octahedra tilt angles range from 24–101°. In the second As3- site, As3- is bonded to three equivalent Ba2+ and three Ga2+ atoms to form a mixture of distorted edge and corner-sharing AsBa3Ga3 octahedra. The corner-sharing octahedra tilt angles range from 26–101°.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Different Formation Scenarios for Counterrotating Stellar Disks in Nearby Galaxies

Using the integral field unit data from the Mapping Nearby Galaxies at Apache Point Observatory survey, we select a sample of 101 galaxies with counterrotating stellar disks and regularly rotating ionized gas disks. We classify the 101 galaxies into four types based on the features of their stellar velocity fields. The relative fractions and stellar population age radial gradients of the four types are different in the blue cloud, green valley, and red sequence populations. We suggest different formation scenarios for counterrotating stellar disks; the key factors in the formation of counterrotating stellar disks include (1) the abundance of preexisting gas in the progenitor and (2) the efficiency in angular momentum consumption.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

Investigation of the effect of vacuum environment on the fatigue and fracture behavior of 7075-T6.

Axial-load fatigue-life, fatigue-crack propagation, and fracture-toughness experiments were conducted on sheet specimens made of 7075-T6 aluminum alloy. These experiments were conducted at air pressures ranging from 101 kN/sq m to 7 micronewtons/sq m to determine the effect of air pressure on fatigue behavior. Analysis of the results from the fatigue-life experiments indicated that for a given stress level, the lower the air pressure was the longer the fatigue life. At a pressure of 7 micronewtons/sq m, fatigue lives were 15 to 30 times longer than at 101 kN/sq m. Analysis of the results from the fatigue-crack-growth experiments indicates that at low values of stress-intensity range, the fatigue-crack-growth rates were approximately twice as high at atmospheric pressure as in vacuum. However, at higher values of stress-intensity range, the fatigue-crack-growth rates were nominally the same in vacuum and at atmospheric pressure.

Hudson, C. M.↗
NASA NTRS1974

Crystals for stellar spectrometers

Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

Alexandropoulos, N. G.↗
NASA NTRS1975

Effects of solar ultraviolet radiations on Bacillus subtilis spores and T-7 bacteriophage

Spores of Bacillus subtilis HA 101 and the DNA polymerase I-defective mutant HA 101 (59)F were exposed to selected wavelengths of solar ultraviolet light and space vacuum during the return of Apollo 16. In addition, coliphage T-7 suspensions were exposed to solar ultraviolet radiation as part of the Microbial Response to Space Environment Experiment. Optical filters were employed to provide different energy levels at wavelengths 254 nm and 280 nm. Dose-response curves for lethal and mutagenic effects were compared with ground-based data. A close parallel was observed between the results of solar radiation and ground tests with spores of the two strains. However, significantly greater inactivation of T-7 bacteriophage was observed after exposure to solar ultraviolet radiation.

Spizizen, J.↗
NASA NTRS1975

Line positions of H2O in the 1.33 to 1.45 micron region

Results are presented for an experimental investigation, using a vacuum IR spectrometer, of the line positions and strengths of water vapor in the spectral region from 6900 to 7500 kaysers. The line-center frequencies of the vibration-rotation transitions of the five H2O bands in this spectral interval are determined along with the rotational levels of the (101), (200), (021), (120), and (002) states. It is noted that several of the upper-state levels are perturbed by resonance effects involving either Fermi coupling or Coriolis coupling of the near-resonance levels of various states. Tables are provided which list the measured line-center frequencies, upper- and lower-state rotational quantum numbers, ground-state energy levels, line strengths, and band assignments. It is shown that the (101) and (021) bands are type A with origins at 7249.811 and 6871.51 kaysers, respectively, while the (200), (002), and (120) bands are type B with origins at 7201.540, 7445.07, and 6775.10 kaysers, respectively.

Toth, R. A.↗
NASA NTRS1981

Experience with high performance V/STOL fighter projects at MBB

Flight control systems and aerodynamic aspects of experimental V/STOL aircraft are discussed. The VJ 101 C featured tilting engines for increased thrust, reheat for takeoff, simple translation, triangular decentralization of the engines for thrust modulation, and moderate ground effects. Two experimental aircraft were built, with and without reheat, capable of Mach 2 and Mach 1.04, respectively. The mechanical flight control system and tests are outlined, both for hover rig and flight configurations. Ground suction, acoustic and thermal loading, sodium silicate coatings to avoid ground corrosion, and recirculation are considered. Results of the follow-on project to the VJ 101 C, the AVS, which was developed by NASA, are reviewed, and it is noted that trends toward thrust-to-weight ratios exceeding one, in concert with low wing loading, favor the development of V/STOL aircraft.

Aulehla, F.↗
NASA NTRS1984

Narrow-band imaging and velocity maps of young stellar objects - Initial results

The first trials of a new technique, designed to map low-excitation ionized gas surrounding young stellar objects, are reported. The region surrounding the T Tau stars HL Tau and XZ Tau, that near HH 101, and that near IRS 5 in L1551 have been imaged through a narrow-band (4.7 A FWHM) forbidden S II filter; three-phase CCD chip was used as the detector. By tilting the narrow-band filter, it is possible to vary the wavelength of peak transmission and thus to detect high-velocity radial flows as well as map the morphology of the excited gas near these young stars. Evidence of an apparently helical outflow is found for HH 101. Redshifted gas appears to extend southward from HL Tau toward HH 30; a blueshifted jet extends northeastward of HL Tau. A series of forbidden S II knots is seen to extend along a jet directed southwestward from the infrared source IRS 5; the knot chain appears to delineate a blueshifted outflow that decelerates as it recedes from IRS 5.

Morgan, J. S.↗
NASA NTRS1987

Outflows in the star-formation region near R CrA

Photographs, spectra, and velocities are presented for the Herbig-Haro objects and visible stars associated with the star-formation region near R CrA. The new data are used to discuss the gas outflows in the area. At least two flows are present; one is linked with the bright variable star R CrA, and the second with the IR source near HH 100. Special attention is given to HH 101. The velocity and spatial structures HH 101 are complex, but are consistent with condensations inside an expanding shell of material ejected from HH 100IR.

Hartigan, Patrick↗
NASA NTRS1985

Photographic film as a detector for solar X-ray/XUV astronomical applications

The characteristics of several films as detectors for solar soft X-ray (3-100 A) and XUV (100-600 A) radiation are discussed. The properties of soft-X-ray-sensitive films like the SO-212 make them useful for the glancing-incidence X-ray telescopes. Used for the MSFC X-Ray Telescope during the Skylab mission (at the wavelengths of 8.34 and 15.4 A), the SO-212 film functioned as a photon detector, achieving spatial resolution of 2.2 arc sec. Other high-resolution soft-X-ray-sensitive films include SO-242 and 101-07. For XUV detection, the SC-5, SC-7, 104-07, and 101-07 films are recommended.

Hoover, Richard B.↗
NASA NTRS1992

A gravitational lens candidate discovered with the Hubble Space Telescope

Evidence is reported for gravitational lensing of the high-redshift (z = 3.8) quasar 1208 + 101, observed as part of the Snapshot survey with the HST Planetary Camera. An HST V image taken on gyroscopes resolves the quasar into three point-source components, with the two fainter images having separations of 0.1 and 0.5 arcsec from the central bright component. A radio observation of the quasar with the VLA at 2 cm shows that, like most quasars of this redhsift, 1208 + 101 is radio quiet. Based on positional information alone, the probability that the observed optical components are chance superpositions of Galactic stars is small, but not negligible. Analysis of a combined ground-based spectrum of all three components, using the relative brightnesses of the HST image, supports the lensing hypothesis. If all the components are lensed images of the quasar, the observed configuration cannot be reproduced by simple lens models.

Maoz, Dan↗