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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Understanding Interfacial Electrochemical Reactions through in situ ec-STEM and IL-Cryo-STEM

A major criterion in the design of next generation materials for electrical energy storage applications is a comprehensive understanding of interfacial electrochemical reactions as well as correlating the structure and chemistry across site-specific electrode/electrolyte interfaces with electron, charge, and mass transport processes as they govern performance characteristics. Scanning transmission electron microscopy (STEM) based techniques have emerged as an indispensable materials characterization tool that provides high spatial resolution imaging and chemical analysis and has been effectively utilized to obtain an atomic to nanoscale view of the interfacial structure before and after electrochemical cycling. More recently, there have been several advances that now allows us to obtain more detailed mechanistic insight into evolving reactions through in situ ec-STEM and electrical biasing platforms such as in the understanding of the mechanisms of solid electrolyte interphase formation, lithium dendrite nucleation and growth mechanisms and ionic transport mechanisms within intercalation, conversion, and alloying electrode materials. Several major advantages of the in situ ec-STEM approach is the quantitative electrochemical measurement of charge passed during cycling with simultaneous analysis of the electrochemical processes with STEM imaging and diffraction. Here, while spectroscopic analysis of the electrochemical reactions products has been performed, there is the issue of beam sensitivity and therefore, Cryo-STEM imaging combined with electron energy loss spectroscopy (EELS) techniques have been employed to analyze the chemistry of the SEI and Li dendrites. In this talk, we discuss the potential for combining identical location (IL) STEM techniques with Cryo-EM. The advantage of using this approach is that the sample is placed on a conventional TEM grid and the exact same location of the specimen can be analyzed before and after quantitative electrochemical measurements. Moreover, since the sample is on the TEM grid, the grid itself can be prepared for further Cryo-TEM experiments by plunge freezing in liquid nitrogen then transferred to the Cryo-TEM under liquid nitrogen. Results obtain from these experiments can be used to enhance our scientific understanding of interfacial chemistry at electrode/electrolyte interfaces and may be useful in the design of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Machine-learned Identification of RR Lyrae Stars from Sparse, Multi-band Data: The PS1 Sample

RR Lyrae stars may be the best practical tracers of Galactic halo (sub-)structure and kinematics. The PanSTARRS1 (PS1) 3π survey offers multi-band, multi-epoch, precise photometry across much of the sky, but a robust identification of RR Lyrae stars in this data set poses a challenge, given PS1's sparse, asynchronous multi-band light curves (≲12 epochs in each of five bands, taken over a 4.5 year period). We present a novel template fitting technique that uses well-defined and physically motivated multi-band light curves of RR Lyrae stars, and demonstrate that we get accurate period estimates, precise to 2 s in >80% of cases. We augment these light-curve fits with other features from photometric time-series and provide them to progressively more detailed machine-learned classification models. From these models, we are able to select the widest (three-fourths of the sky) and deepest (reaching 120 kpc) sample of RR Lyrae stars to date. The PS1 sample of ∼45,000 RRab stars is pure (90%) and complete (80% at 80 kpc) at high galactic latitudes. It also provides distances that are precise to 3%, measured with newly derived period–luminosity relations for optical/near-infrared PS1 bands. With the addition of proper motions from Gaia and radial velocity measurements from multi-object spectroscopic surveys, we expect the PS1 sample of RR Lyrae stars to become the premier source for studying the structure, kinematics, and the gravitational potential of the Galactic halo. The techniques presented in this study should translate well to other sparse, multi-band data sets, such as those produced by the Dark Energy Survey and the upcoming Large Synoptic Survey Telescope Galactic plane sub-survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Mn 4 Ca cluster in photosynthetic water oxidation

In natural photosynthesis, the water oxidation reaction takes place in the oxygen evolving complex (OEC) in Photosystem II (PSII), that cycles through a series of five intermediate S-states. Mechanistic studies of this catalytic reaction have been carried out with various spectroscopic methods, structural analysis, and theoretical studies. Among them, the structural information of the metal cluster has been obtained largely from the X-ray techniques that include X-ray crystallography and X-ray spectroscopy. This chapter describes the recent studies of the OEC in PSII with X-ray spectroscopy and crystallography.

14 SOLAR ENERGY↗
DOE OSTI2015

Strategies for obtaining long constant-pressure test times in shock tubes

Several techniques have been developed for obtaining long, constant-pressure test times in reflected shock wave experiments in a shock tube, including the use of driver inserts, driver gas tailoring, helium gas diaphragm interfaces, driver extensions, and staged driver gas filling. Here, we detail these techniques, including discussion on the most recent strategy, staged driver gas filling. Experiments indicate that this staged filling strategy increases available test time by roughly 20 % relative to single-stage filling of tailored driver gas mixtures, while simultaneously reducing the helium required per shock by up to 85 %. This filling scheme involves firstly mixing a tailored helium–nitrogen mixture in the driver section as in conventional driver filling and, secondly, backfilling a low-speed-of-sound gas such as nitrogen or carbon dioxide from a port close to the end cap of the driver section. Using this staged driver gas filling, in addition to the other techniques listed above, post-reflected shock test times of up to 0.102 s (102 ms) at 524 K and 1.6 atm have been obtained. Spectroscopically based temperature measurements in non-reactive mixtures have confirmed that temperature and pressure conditions remain constant throughout the length of these long test duration trials. Finally, these strategies have been used to measure low-temperature n-heptane ignition delay times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Cu 2 I 2 Se 6 : A Metal–Inorganic Framework Wide-Bandgap Semiconductor for Photon Detection at Room Temperature

Cu 2 I 2 Se 6 is a new wide-bandgap semiconductor with high stability and great potential toward hard radiation and photon detection. Cu 2 I 2 Se 6 crystallizes in the rhombohedral R$\bar{3}m$ space group with a density of d = 5.287 g·cm –3 and a wide bandgap E g of 1.95 eV. First-principles electronic band structure calculations at the density functional theory level indicate an indirect bandgap and a low electron effective mass m e * of 0.32. The congruently melting compound was grown in centimeter-size Cu 2 I 2 Se 6 single crystals using a vertical Bridgman method. A high electric resistivity of ~10 12 Ω·cm is readily achieved, and detectors made of Cu 2 I 2 Se 6 single crystals demonstrate high photosensitivity to Ag Kα X-rays (22.4 keV) and show spectroscopic performance with energy resolutions under 241 Am α-particles (5.5 MeV) radiation. The electron mobility is measured by a time-of-flight technique to be ~46 cm 2 ·V –1 ·s –1 . This value is comparable to that of one of the leading γ-ray detector materials, TlBr, and is a factor of 30 higher than mobility values obtained for amorphous Se for X-ray detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Optimal control of the signal-to-noise ratio per unit time of a spin 1/2 particle: The crusher gradient and the radiation damping cases

We show to which extent the signal to noise ratio per unit time of a spin 1/2 particle can be maximized. We consider a cyclic repetition of experiments made of a measurement followed by a radio-frequency magnetic field excitation of the system, in the case of unbounded amplitude. In the periodic regime, the objective of the control problem is to design the initial state of the system and the pulse sequence which leads to the best signal to noise performance. We focus on two specific issues relevant in nuclear magnetic resonance, the crusher gradient and the radiation damping cases. Optimal control techniques are used to solve this non-standard control problem. We discuss the optimality of the Ernst angle solution, which is commonly applied in spectroscopic and medical imaging applications. In the radiation damping situation, we show that in some cases, the optimal solution differs from the Ernst one.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Degradation mechanism of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite materials upon exposure to humid air

Low stability of organic-inorganic perovskite (CH{sub 3}NH{sub 3}PbI{sub 3}) solar cells in humid air environments is a serious drawback which could limit practical application of this material severely. In this study, from real-time spectroscopic ellipsometry characterization, the degradation mechanism of ultra-smooth CH{sub 3}NH{sub 3}PbI{sub 3} layers prepared by a laser evaporation technique is studied. We present evidence that the CH{sub 3}NH{sub 3}PbI{sub 3} degradation in humid air proceeds by two competing reactions of (i) the PbI{sub 2} formation by the desorption of CH{sub 3}NH{sub 3}I species and (ii) the generation of a CH{sub 3}NH{sub 3}PbI{sub 3} hydrate phase by H{sub 2}O incorporation. In particular, rapid phase change occurs in the near-surface region and the CH{sub 3}NH{sub 3}PbI{sub 3} layer thickness reduces rapidly in the initial 1 h air exposure even at a low relative humidity of 40%. After the prolonged air exposure, the CH{sub 3}NH{sub 3}PbI{sub 3} layer is converted completely to hexagonal platelet PbI{sub 2}/hydrate crystals that have a distinct atomic-scale multilayer structure with a period of 0.65 ± 0.05 nm. We find that conventional x-ray diffraction and optical characterization in the visible region, used commonly in earlier works, are quite insensitive to the surface phase change. Based on results obtained in this work, we discuss the degradation mechanism of CH{sub 3}NH{sub 3}PbI{sub 3} in humid air.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Part-Per-Trillion Level SF6 Detection Using a Quartz Enhanced Photoacoustic Spectroscopy-Based Sensor with Single-Mode Fiber-Coupled Quantum Cascade Laser Excitation

A sensitive spectroscopic sensor based on a hollow-core fiber-coupled quantum cascade laser (QCL) emitting at 10.54 µm and quartz enhanced photoacoustic spectroscopy (QEPAS) technique is reported. The design and realization of mid-infrared fiber and coupler optics has ensured single-mode QCL beam delivery to the QEPAS sensor . The collimation optics was designed to produce a laser beam of significantly reduced beam size and waist so as to prevent illumination of the quartz tuning fork and micro-resonator tubes. SF6 was selected as the target gas. A minimum detection sensitivity of 50 parts per trillion in 1 s was achieved with a QCL power of 18 mW, corresponding to a normalized noise-equivalent absorption of 2.7x10-10 W•cm-1/Hz1/2.

Laser Sensors↗
DOE OSTI2023

Overcoming magnetic susceptibility broadening in NMR of coin cell batteries to achieve chemical resolution

We develop methods for previously introduced NMR hardware that enables sensitive, noninvasive spectroscopic study of coin cell batteries, by overcoming the magnetic field distortions intrinsic to the battery limited chemical resolution. Specifically, we employ an interferometric NMR technique to overcome field heterogeneity, reducing peak widths by two orders of magnitude and obtaining chemically resolved solution-state spectra.

25 ENERGY STORAGE↗
NASA NTRS1982

Thermal Structure of Jupiter and Saturn

Temperatures in the sensible regions of the atmospheres of the outer planets are quite cold. The temperature structures for Jupiter, Saturn, Uranus and Neptune, derived from the equilibrium models are presented in preparation. The vertical temperature profiles for Jupiter and Saturn, the molecular spectroscopic data which form the basis for this type of analysis, and the problems involved with these models for molecular absorption and with the recovery technique in general, are discussed. Results for Jupiter and Saturn from the Pioneer and Voyager infrared experiments are also presented.

Orton, G.↗
NASA NTRS1998

Advanced x-ray imaging spectrometer

An x-ray spectrometer that also provides images of an x-ray source. Coded aperture imaging techniques are used to provide high resolution images. Imaging position-sensitive x-ray sensors with good energy resolution are utilized to provide excellent spectroscopic performance. The system produces high resolution spectral images of the x-ray source which can be viewed in any one of a number of specific energy bands.

Callas, John L.↗
DOE OSTI2019

Characterization of Tc-99 Speciation and Chemical Composition of 241-AN-102 Tank Waste Supernatant - 19201

Technetium (Tc) in its isotopic form {sup 99}Tc is generated in high yields from the fission of {sup 235}U and {sup 239}Pu. A significant inventory of {sup 99}Tc remains at the U.S. Department of Energy's Hanford Site, and it is one of the most difficult contaminants to address. In the strongly alkaline solutions that are typical of Hanford tank waste, Tc exists as both pertechnetate (TcO{sub 4}{sup -} in oxidation state VII) and in reduced forms (oxidation state <VII) collectively known as non-pertechnetate species. Pertechnetate is a well-characterized anionic Tc species that can be removed from low-activity waste by anion exchange or other methods. There is no definitive information on the origin or a comprehensive description of the non-pertechnetate species in Hanford tanks. Designing strategies for effective management of Tc, including separation and immobilization, requires an understanding of the molecular structure of the non-pertechnetate species and their identification in actual tank waste samples. Developing this advanced understanding would facilitate development of new technologies for treating dissimilar Tc species. Toward this objective, a spectroscopic library of the Tc(I) [fac-Tc(CO){sub 3}]{sup +} and Tc(IV, VI, VII) compounds was generated using a range of techniques and applied to the characterization of actual 241-AN-102 tank waste supernatant. A sample of the 241-AN-102 tank waste (collected in 2013) was processed to remove {sup 137}Cs by spherical resorcinol-formaldehyde (sRF) ion exchange resin after the sodium concentration was adjusted to 5.6 M. The Cs-loaded sRF column was eluted with 0.45 M HNO{sub 3}. As-received AN-102, Cs-depleted AN-102 effluent, and sRF eluate fractions were comprehensively characterized for chemical composition and speciation of Tc using {sup 99}Tc nuclear magnetic resonance (NMR) spectroscopy and X-ray absorption spectroscopy. The results of these analyses demonstrated for the first time that non-pertechnetate Tc present in the 241-AN-102 tank waste is composed of several low-valent Tc species, including the Tc(I) [fac-Tc(CO){sub 3}L{sub 3}]{sup +}, Tc(IV), and possibly Tc(VI) compounds. This is the second experimental observation of the [fac-Tc(CO){sub 3}L{sub 3}]{sup +} species in the Hanford tank waste that highlights their importance for waste processing. In addition, the chemical composition of the 241-AN-102 tank waste was characterized with the focus on small chelators. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

The mass profiles of dwarf galaxies from Dark Energy Survey lensing

We present a novel approach to extracting dwarf galaxies from photometric data to measure their average halo mass profile with weak lensing. We characterize their stellar mass and redshift distributions with a spectroscopic calibration sample. By combining the ${\sim} 5000\,\mathrm{deg}^2$ multiband photometry from the Dark Energy Survey and redshifts from the Satellites Around Galactic Analogs Survey with an unsupervised machine learning method, we select a low-mass galaxy sample spanning redshifts $z\lt 0.3$ and divide it into three mass bins. From low to high median mass, the bins contain [146 420, 330 146, 275 028] galaxies and have median stellar masses of $\log _{10}(M_*/\text{M}_\odot)=\left[8.52\substack{+0.57 -0.76},\, 9.02\substack{+0.50 -0.64},\, 9.49\substack{+0.50 -0.58}\right]$ . We measure the stacked excess surface mass density profiles, $\Delta \Sigma (R)$, of these galaxies using galaxy–galaxy lensing with a signal-to-noise ratio of [14, 23, 28]. Through a simulation-based forward-modelling approach, we fit the measurements to constrain the stellar-to-halo mass relation and find the median halo mass of these samples to be $\log _{10}(M_{\rm halo}/\text{M}_\odot)$ = [$10.67\substack{+0.2 -0.4}$, $11.01\substack{+0.14 -0.27}$, $11.40\substack{+0.08 -0.15}$]. The cold dark matter profiles are consistent with NFW (Navarro, Frenk, and White) profiles over scales ${\lesssim} 0.15 \, {h}^{-1}$ Mpc. We find that ${\sim} 20$ per cent of the dwarf galaxy sample are satellites. This is the first measurement of the halo profiles and masses of such a comprehensive, low-mass galaxy sample. The techniques presented here pave the way for extracting and analysing even lower mass dwarf galaxies and for more finely splitting galaxies by their properties with future photometric and spectroscopic survey data.

dark matter↗
NASA NTRS2014

NASA's Optical Measurement Program 2014

The Optical Measurements Group (OMG) within the NASA Orbital Debris Program Office (ODPO) addresses U.S. National Space Policy goals by monitoring and characterizing debris. Since 2001, the OMG has used the Michigan Orbital Debris Survey Telescope (MODEST) at Cerro Tololo Inter-American Observatory (CTIO) in Chile for general orbital debris survey. The 0.6-m Schmidt MODEST provides calibrated astronomical data of GEO targets, both catalogued and uncatalogued debris, with excellent image quality. The data are utilized by the ODPO modeling group and are included in the Orbital Debris Engineering Model (ORDEM) v. 3.0. MODEST and the CTIO/SMARTS (Small and Moderate Aperture Research Telescope System) 0.9 m both acquire filter photometric data, as well as synchronously observing targets in selected optical filters. This information provides data used in material composition studies as well as longer orbital arc data on the same target, without time delay or bias from a rotating, tumbling, or spinning target. NASA, in collaboration with the University of Michigan, began using the twin 6.5-m Magellan telescopes at Las Campanas Observatory in Chile for deep imaging (Baade) and spectroscopic data (Clay) in 2011. Through the data acquired on Baade, debris have been detected that are ~3 magnitudes fainter than detections with MODEST, while the data from Clay provide better resolved information used in material characterization analyses via selected bandpasses. To better characterize and model optical data, the Optical Measurements Center (OMC) at NASA/JSC has been in operation since 2005, resulting in a database of comparison laboratory data. The OMC is designed to emulate illumination conditions in space using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. Lastly, the OMG is building the Meter Class Autonomous Telescope (MCAT) at Ascension Island. The 1.3-m telescope is designed to observe GEO and LEO targets, using a modified Ritchey-Chrétien configuration on a double horseshoe equatorial mount to allow tracking objects at LEO rates through the dome's keyhole at zenith. Through the data collection techniques employed at these unique facilities, NASA's ODPO has developed a multi-faceted approach to characterize the orbital debris risk to satellites in various altitudes and provide material characterization of debris via photometric and spectroscopic measurements. Ultimately, the data are used in conjunction with in-situ and radar measurements to provide accurate data for models of our space environment and service spacecraft risk assessment.

Cowardin, H.↗
DOE OSTI2023

Diamonds in the Rough: Direct Surface Enhanced Infrared Spectroscopic Evidence of Nitrogen Reduction on Boron-Doped Diamond Supported Metal Catalysts

In situ investigations of electrocatalytic processes of increasing societal interest such as the nitrogen reduction reaction (NRR) re-quire aggressive experimental conditions that are not readily compatible with surface sensitive techniques such as attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). A method for performing ATR-SEIRAS studies at very negative potentials where conventional IR-active films delaminate, and fail is reported. The method relies on a thin film of very robust boron-doped diamond deposited on a micromachined Si wafer, which provides extended mid-IR transparency at long wavelengths. SEIRAS activity is achieved by electrodepositing gold nanoparticles onto the conductive BDD layer. The Au@BDD layers are shown to sustain prolonged periods of electrolysis at negative potentials with no degradation of the modifying layer. The efficacy of these substrates for electrocatalysis is demonstrated by studying the reduction of N 2 at -1.5 V vs Ag/AgCl in an aqueous-based electrolyte. So under these conditions, direct spectroscopic evidence of both NH 3 and hydrazine formed from the nitrogen reduction reaction (NRR) is provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

FRIENDS OF HOT JUPITERS. III. AN INFRARED SPECTROSCOPIC SEARCH FOR LOW-MASS STELLAR COMPANIONS

Surveys of nearby field stars indicate that stellar binaries are common, yet little is known about the effects that these companions may have on planet formation and evolution. The Friends of Hot Jupiters project uses three complementary techniques to search for stellar companions to known planet-hosting stars: radial velocity monitoring, adaptive optics imaging, and near-infrared spectroscopy. In this paper, we examine high-resolution K band infrared spectra of fifty stars hosting gas giant planets on short-period orbits. We use spectral fitting to search for blended lines due to the presence of cool stellar companions in the spectra of our target stars, where we are sensitive to companions with temperatures between 3500 and 5000 K and projected separations less than 100 AU in most systems. We identify eight systems with candidate low-mass companions, including one companion that was independently detected in our AO imaging survey. For systems with radial velocity accelerations, a spectroscopic non-detection rules out scenarios involving a stellar companion in a high inclination orbit. We use these data to place an upper limit on the stellar binary fraction at small projected separations, and show that the observed population of candidate companions is consistent with that of field stars and also with the population of wide-separation companions detected in our previous AO survey. We find no evidence that spectroscopic stellar companions are preferentially located in systems with short-period gas giant planets on eccentric and/or misaligned orbits.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Raman spectroscopic investigations of tetragonal to cubic transition in BaTiO{sub 3} films grown on LaAlO{sub 3} substrate

BaTiO{sub 3} [BTO] films have been grown on LaAlO{sub 3} (LAO) substrate using pulse laser deposition technique. The film is found highly oriented, possess 400 nm thickness and single phase in nature. However, the out-of-plane lattice parameter of the film obtained from the x-ray diffraction was found to be lower when compared to bulk compound indicating towards strain reversal. The Raman spectra recorded at room temperature showed that the film is tetragonal with C4v symmetry. Raman spectra collected at high temperatures for the film and the bulk compound showed that the tetragonal to cubic transition temperature in film is enhanced by 100 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

INNOCENT BYSTANDERS: CARBON STARS FROM THE SLOAN DIGITAL SKY SURVEY

Among stars showing carbon molecular bands (C stars), the main-sequence dwarfs, likely in post-mass transfer binaries, are numerically dominant in the Galaxy. Via spectroscopic selection from the Sloan Digital Sky Survey, we retrieve 1220 high galactic latitude C stars, {approx}5 times more than previously known, including a wider variety than past techniques such as color or grism selection have netted, and additionally yielding 167 DQ white dwarfs. Of the C stars with proper motion measurements, we identify 69% clearly as dwarfs (dCs), while {approx}7% are giants. The dCs likely span absolute magnitudes M{sub i} from {approx}6.5 to 10.5. 'G-type' dC stars with weak CN and relatively blue colors are probably the most massive dCs still cool enough to show C{sub 2} bands. We report Balmer emission in 22 dCs, none of which are G-types. We find 8 new DA/dC stars in composite spectrum binaries, quadrupling the total sample of these 'smoking guns' for AGB binary mass transfer. Eleven very red C stars with strong red CN bands appear to be 'N'-type AGB stars at large Galactocentric distances, one likely a new discovery in the dIrr galaxy Leo A. Two such stars within 30' of each other may trace a previously unidentified dwarf galaxy or tidal stream at {approx}40 kpc. We explore the multiwavelength properties of the sample and report the first X-ray detection of a dC star, which shows strong Balmer emission. Our own spectroscopic survey additionally provides the dC surface density from a complete sample of dwarfs limited by magnitude, color, and proper motion.

79 ASTRONOMY AND ASTROPHYSICS↗