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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes

The metal centers in metalloenzymes and molecular catalysts are responsible for the rearrangement of atoms and electrons during complex chemical reactions, and they enable selective pathways of charge and spin transfer, bond breaking/making and the formation of new molecules. Mapping the electronic structural changes at the metal sites during the reactions gives a unique mechanistic insight that has been difficult to obtain to date. The development of X-ray free-electron lasers (XFELs) enables powerful new probes of electronic structure dynamics to advance our understanding of metalloenzymes. The ultrashort, intense and tunable XFEL pulses enable X-ray spectroscopic studies of metalloenzymes, molecular catalysts and chemical reactions, under functional conditions and in real time. In this Technical Review, we describe the current state of the art of X-ray spectroscopy studies at XFELs and highlight some new techniques currently under development. With more XFEL facilities starting operation and more in the planning or construction phase, new capabilities are expected, including high repetition rate, better XFEL pulse control and advanced instrumentation. For the first time, it will be possible to make real-time molecular movies of metalloenzymes and catalysts in solution, while chemical reactions are taking place.

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

Exploring and Embracing Heterogeneity in Atomically Thin Energy Materials

Atomically thin semiconductors offer extraordinary opportunities for the manipulation of charge carriers, many-body optical excitations, quantum light emitters, and non-charge based quantum numbers. Confinement and reduced dielectric screening in these two-dimensional (2D) materials give rise to large characteristic energies so that many-body and quantum effects are important even at room temperature. Optical excitations in extended homogeneous areas have been investigated intensely, albeit mostly focusing on a limited set of materials, particularly transition metal dichalcogenides. Much less understood are light-matter interactions for other classes of 2D semiconductors, as well as effects that arise in heterogeneous materials, either near naturally occurring defects, impurities, edges and grain boundaries, or as a result of intentional interface formation in heterostructures. Addressing such systems experimentally involves significant challenges: Understanding the atomistic growth mechanisms of 2D semiconductors, so that novel systems with designed properties, specific ‘imperfections’, or controlled interfaces can be realized; and probing of local excitations at scales that match the relevant (micrometer to nanometer) length scales in heterogeneous materials. In this research project, we addressed these challenges by harnessing quantitative in-situ microscopy to study the growth of 2D and layered semiconductors and heterostructures, combined with local spectroscopic measurements of quasiparticles excited at the nanometer scale. An integral part of the research has been the development of novel experimental approaches, both for in-situ microscopy of synthesis and for nanometer-scale spectroscopy. In particular, advanced techniques were developed for cathodoluminescence in scanning transmission electron microscopy (STEM-CL) where a nanometer-focused electron beam is used to locally excite electron-hole pairs, excitons, as well as propagating hybrid light-matter modes such as exciton-polaritons. Experiments were guided and analyzed via computations of structure, chemistry, and excitation spectra. The particular materials focus has been on group IV chalcogenides, a family of less explored 2D/layered semiconductors whose diversity in crystal structure and properties promises access to novel materials architectures and the discovery of phenomena that can support emerging technology needs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Improving Dark Energy Constraints Using Low-Redshift Large-Scale Structures

The primary goal of this project was to improve constraints on dark energy measurements by improving our ability to extract cosmological information from low redshift large-scale structures. PI Clowe's project's primary aim was to reduce the bias in measurements of the masses of clusters of galaxies to a level where the evolution of the cluster mass function can be used in the Vera Rubin Observatory's Legacy Survey of Space and Time Dark Energy Science Collaboration survey to improve the accuracy of the measurement of dark energy and other cosmological parameters. Co-PI Seo's project studied observational systematics affecting large-scale clustering of galaxies, which will be used to improve dark energy constraints from the Dark Energy Spectroscopic Instrument (DESI). The cluster lensing project employed a series of simulations and observations of clusters of galaxies to test numerous potential systematic errors in cluster mass measurements using weak gravitational lensing as the accuracy of current weak lensing measurements are more than order of magnitude worse than what is required to use clusters of galaxies for accurate determination of dark energy parameters. PI Clowe and group developed and analyzed simulations to test for, and correct biases introduced in, the weak lensing measurement process. Finally, PI Clowe and group developed a method of detecting clusters using galaxy overdensities and applied the method to the BLISS and DES surveys. The success of spectroscopic dark energy mission such as the extended Baryon Oscillation Spectroscopic Survey (eBOSS) and the Dark Energy Spectroscopic Instrument (DESI) will depend on a thorough understanding of various observational systematics in the target density fluctuations that would give rise to spurious, non-cosmological signals. PI Seo and group developed a deep learning, artificial neural network (ANN) technique that modeled and mitigated such effects, aimed at deriving more robust galaxy clustering signals not only for the baryon acoustic oscillation feature and redshift-space distortions but also for primordial non-Gaussianity constraint.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The SDSS-Gaia View of the Color–Magnitude Relation for Blue Horizontal-branch Stars

We present an updated sample of blue horizontal-branch (BHB) stars selected from the photometric and spectroscopic data from Sloan Digital Sky Survey and its associated project Sloan Extension for Galactic Understanding and Exploration (SEGUE). With these data, we selected candidates for A-type stars in the color–color space and then a mixture modeling technique was implemented in order to distinguish between BHB and main-sequence/blue-straggler stars based on their surface gravity values (log g) estimated by the SEGUE Stellar Parameter Pipeline. Our robust approach allows us to attribute individual probabilities of each star truly being in the BHB stage. Hence, our method is advantageous in comparison to previous SEGUE BHB selections that adopted simple log g cuts. We also revisit the color–magnitude relation for these stars and propose two calibrations, based on updated distances for Galactic globular clusters, to estimate absolute magnitudes with (g – r) 0 and (u – r) 0 colors.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Characteristics of the optical radiation from Kaufman thrusters

The optical radiation from plasma discharges of electron-bombardment mercury-ion thrusters was investigated. Spectrographic measurements indicated that the discharge was composed primarily of mercury atoms and singly charged ions. Excitation spectra of doubly charged mercury ions was measured to obtain the fraction of such ions in the discharge. Accomplishments of spectroscopic measurements of a hollow cathode thruster included the identification of two diagnostic lines in the mercury spectrum and the interpretation of the spectral amplitudes in terms of a superposition of primary and Maxwellian electron distributions. Potential application of optical techniques to thruster control applications was also suggested by the measurements.

Milder, N. L.↗
NASA NTRS1983

International Halley watch amateur observers' manual for scientific comet studies. Part 1: Methods

The International Halley Watch is described as well as comets and observing techniques. Information on periodic Comet Halley's apparition for its 1986 perihelion passage is provided. Instructions are given for observation projects valuable to the International Halley Watch in six areas of study: (1) visual observations; (2) photography; (3) astrometry; (4) spectroscopic observations; (5) photoelectric photometry; and (6) meteor observations.

Edberg, S. J.↗
NASA NTRS1988

Research in planetary astronomy and operation of the Mauna Kea Observatory

Spectroscopic studies with ground-based telescopes at low resolution can give compositional information of the surfaces and atmospheres of planets, satellites, asteroids, and comets. Solid state absorptions in ices and minerals are measurable by the low-resolution spectrophotometric technique. This program includes spectroscopy of distant comets, asteroids of particular interest in various contexts (planet crossers, outer main belt, trojans, etc.), Pluto and Charon, and planetary satellites of particular interest (Iapetus, Io, Uranian satellites, etc.). In the case of planets, satellites, and comets, emphasis is placed on volatiles (ices and organics), while for asteroids the stress is on mineralogy and the connection with the meteorites. New spectra show that the IR signature of Triton has changed since 1980, in that the methane bands are significantly weaker. Spectral evidence for the presence of molecular nitrogen remains convincing. Also, the brightness of Triton throughout its orbital cycle was measured to higher precision than before and was found to be constant to better than 0.02 mag. Suggestive spectral evidence was found for the presence of the C-H stretching mode band in diffuse reflection on asteroid 130 Elektra.

Cruikshank, Dale P.↗
NASA NTRS2000

Bioimpedance Measurement of Segmental Fluid Volumes and Hemodynamics

Bioimpedance has become a useful tool to measure changes in body fluid compartment volumes. An Electrical Impedance Spectroscopic (EIS) system is described that extends the capabilities of conventional fixed frequency impedance plethysmographic (IPG) methods to allow examination of the redistribution of fluids between the intracellular and extracellular compartments of body segments. The combination of EIS and IPG techniques was evaluated in the human calf, thigh, and torso segments of eight healthy men during 90 minutes of six degree head-down tilt (HDT). After 90 minutes HDT the calf and thigh segments significantly (P < 0.05) lost conductive volume (eight and four percent, respectively) while the torso significantly (P < 0.05) gained volume (approximately three percent). Hemodynamic responses calculated from pulsatile IPG data also showed a segmental pattern consistent with vascular fluid loss from the lower extremities and vascular engorgement in the torso. Lumped-parameter equivalent circuit analyses of EIS data for the calf and thigh indicated that the overall volume decreases in these segments arose from reduced extracellular volume that was not completely balanced by increased intracellular volume. The combined use of IPG and EIS techniques enables noninvasive tracking of multi-segment volumetric and hemodynamic responses to environmental and physiological stresses.

Montgomery, Leslie D.↗
NASA NTRS2011

Compact Micromachined Infrared Bandpass Filters for Planetary Spectroscopy

The future needs of space based observational planetary and astronomy missions include low mass and small volume radiometric instruments that can operate in high radiation and low temperature environments. Here we focus on a central spectroscopic component, the bandpass filter. We model the bandpass response of the filters to target the wavelength of the resonance peaks at 20, 40, and 60 micrometers and report good agreement between the modeled and measured response. We present a technique of using common micromachining processes for semiconductor fabrication to make compact, free standing resonant metal mesh filter arrays with silicon support frames. The process can accommodate multiple detector array architectures and the silicon frame provides lightweight mechanical support with low form factor. We also present a conceptual hybridization of the filters with a detector array.

Merrell, Willie C., II↗
NASA NTRS2019

Demonstration of Multi-Star Wavefront Control for WFIRST, Habex, and LUVOIR

Coronagraphic instruments will enable direct imaging of dim planetary companions around nearby stars. The majority of nearby FGK stars are located in multi-star systems, including the Alpha Centauri stars, which may represent the best quality targets available for spectroscopic characterization due to their proximity and brightness. However, a binary system exhibits additional leakage from the o -axis companion star that may be brighter than the target exoplanet. Multi-Star Wavefront Control (MSWC) is a wavefront-control technique that allows simultaneous suppression of starlight of both stars in a binary system. MSWC would thus enable direct imaging of circumstellar planets in binary star systems such as Alpha Centauri. MSWC is compatible with a wide suite of planned coronagraphic instruments for future space missions. As part of the technology demonstration e orts for MSWC, the rst milestone results are presented here demonstrating (via computer simulations), high-contrast imaging capabilities of multi-star systems for several instruments including: [1] the upcoming WFIRST and its CGI demonstrator, [2] the HABitable Worlds EXplorer (Habex) mission concept, [3] the segmented Large UV/Optical/IR (LUVOIR) mission concept, and [4] a small-aperture Alpha Centauri direct-imager mission concept. For each of these missions, a baseline coronagraph option planned for the mission will be adopted and instrument baseline performance will be compared for single-star wavefront control.

Sirbu, Dan↗
DOE OSTI2024

Emission line predictions for mock galaxy catalogues: a new differentiable and empirical mapping from DESI

ABSTRACT We present a simple, differentiable method for predicting emission line strengths from rest-frame optical continua using an empirically determined mapping. Extensive work has been done to develop mock galaxy catalogues that include robust predictions for galaxy photometry, but reliably predicting the strengths of emission lines has remained challenging. Our new mapping is a simple neural network implemented using the JAX Python automatic differentiation library. It is trained on Dark Energy Spectroscopic Instrument Early Release data to predict the equivalent widths (EWs) of the eight brightest optical emission lines (including H α, H β, [O ii], and [O iii]) from a galaxy’s rest-frame optical continuum. The predicted EW distributions are consistent with the observed ones when noise is accounted for, and we find Spearman’s rank correlation coefficient ρs > 0.87 between predictions and observations for most lines. Using a non-linear dimensionality reduction technique, we show that this is true for galaxies across the full range of observed spectral energy distributions. In addition, we find that adding measurement uncertainties to the predicted line strengths is essential for reproducing the distribution of observed line-ratios in the BPT diagram. Our trained network can easily be incorporated into a differentiable stellar population synthesis pipeline without hindering differentiability or scalability with GPUs. A synthetic catalogue generated with such a pipeline can be used to characterize and account for biases in the spectroscopic training sets used for training and calibration of photo-z’s, improving the modelling of systematic incompleteness for the Rubin Observatory LSST and other surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1995

Spectroscopic study of the seasonal variation of carbon monoxide vertical distribution above Kitt Peak

A method to retrieve elements of the carbon monoxide (CO) vertical distribution from ground-based high-resolution infrared solar spectra has been developed. The method is based on the fact that the total column amount retrieved by nonlinear least squares spectral fitting techniques depends on the shape of the assumed a priori profile and this dependence is a function of the absorption line intensity and the lower state energy of the transition. Four CO lines between 2057 and 2159/cm have been selected and the method has been tested on synthetic spectra. The CO total column content and average concentrations in two atmospheric layers (surface to 400 mbar and 400 mbar to the top of the atmosphere) can be retrieved with precisions of about 1% and less than 10%, respectively. Solar spectra recorded at Kitt Peak from 1982 to 1993 have been analyzed. The CO total column and the average concentration in the two layers show an asymmetrical seasonal cycle with extreme values of (1.1-2.1) x 10(exp 18) molecules cm(exp -2), (50-80) parts per billion by volume (ppbv) in the top layer and (80-160) ppbv in the bottom layer, and precisions of 1, 3, and 6%, respectively; a spring maximum and late summer minimum are observed.

Pougatchev, N. S.↗
DOE OSTI2023

Understanding capacity fade in organic redox-flow batteries by combining spectroscopy with statistical inference techniques

Organic redox-active molecules are attractive as redox-flow battery (RFB) reactants because of their low anticipated costs and widely tunable properties. Unfortunately, many lab-scale flow cells experience rapid material degradation (from chemical and electrochemical decay mechanisms) and capacity fade during cycling (>0.1%/day) hindering their commercial deployment. In this work, we combine ultraviolet-visible spectrophotometry and statistical inference techniques to elucidate the Michael attack decay mechanism for 4,5-dihydroxy-1,3-benzenedisulfonic acid (BQDS), a once-promising positive electrolyte reactant for aqueous organic redox-flow batteries. We use Bayesian inference and multivariate curve resolution on the spectroscopic data to derive uncertainty-quantified reaction orders and rates for Michael attack, estimate the spectra of intermediate species and establish a quantitative connection between molecular decay and capacity fade. Our work illustrates the promise of using statistical inference to elucidate chemical and electrochemical mechanisms of capacity fade in organic redox-flow battery together with uncertainty quantification, in flow cell-based electrochemical systems.

25 ENERGY STORAGE↗
DOE OSTI2020

Interpretation of Lyman opacity measurements in JET with the ITER-like wall using a particle balance approach

Recent measurements of the Ly β /D α ratio in the JET ITER-like wall (ILW) divertor show comparatively more pronounced Ly β reabsorption relative to previous results in JET with the carbon wall (JET-C). At the outer horizontal target ion current rollover point a Ly β reabsorption rate of 60% is measured, increasing to 80% in more pronounced detachment, implying a Ly α reabsorption rate of 90%–98%. The radially resolved Ly β /D α measurements are used to constrain Lyman opacity corrections to atomic rate coefficients using the population escape factor technique in order to capture the local changes to the excited state population structure in the high Lyman opacity regions at and outboard of the outer strike point. To check the self-consistency of the Lyman opacity measurements, a detailed spectroscopic interpretation of the outer divertor particle balance is presented, in which the impact of opacity corrections to the Ly α inverse photon efficiency coefficients is assessed. A five-fold deficit in the estimated D + source rate obtained with optically thin plasma assumptions is reconciled once the opacity corrections are factored into the Ly α photon rate to ionization rate conversion. The experiment results are reproduced in EDGE2D-EIRENE density scan simulations in which an imposed ad hoc Lyman reabsorption rate is recovered spectroscopically using synthetic measurements, and a similar shortfall in the D + source rate estimates is reconciled using Lyman opacity corrected atomic data. The model limitations prevent a more detailed self-consistent analysis of the Lyman opacity impact on divertor parameters and detachment evolution, and hence motivate renewed efforts to re-establish routine exploitation of the photon transport modelling capabilities in the EIRENE code package. Lyman opacity corrections to atomic data coefficients are necessary for spectroscopic interpretation of the JET-ILW divertor plasma, with significant influence on the divertor plasma also a likely consequence of the presence of strong Ly α reabsorption. Finally, a scan of auxiliary heating powers spanning L-mode and H-mode conditions reveals a strong correlation of the measured Ly β opacity with the outer target temperature, suggesting new possibilities for using Lyman opacity measurements in establishing detachment scalings.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

Discovery of the first carbon star in NGC 6822

A new photometric technique has been developed for detecting carbon and M stars in distant stellar systems, leading to isolation of carbon-star candidates in a number of Local-Group galaxies. One of the brighter candidates in NGC 6822 has been confirmed spectroscopically; at a distance of approximately 0.5 Mpc, it is the first truly extragalactic carbon star to be positively identified. The star has M(I) = about -5.7 mag, placing it near the upper-luminosity end of known carbon stars in the Magellanic Clouds.

Aaronson, M.↗
NASA NTRS1985

Observation of adsorbate-induced surface states by elastic electron tunneling spectroscopy

Electronic structure induced by adsorbates at the interface of Al/AlOx/Au tunnel junctions has been observed by elastic electron tunneling spectroscopy. Strong structures appearing in the tunneling spectra above approximately 1 eV after exposure to I, Hg, Bi, and organohalides, have been interpreted in terms of adsorbate-induced surface states. The spectroscopic capabilities of elastic electron tunneling spectroscopy may be useful in the area of chemical detection. In the broader sense, the observation of adsorbate-induced unoccupied electronic states below the vacuum energy, makes elastic electron tunneling spectroscopy a potentially useful technique for the study of surfaces.

Leduc, H. G.↗
NASA NTRS1995

Derived parameters for NGC 6791 from high-metallicity isochrones

We have computed 8, 10, and 12 Gyr isochrones and physically consistent models of zero-age red horizontal branch stars for stellar masses between 0.55 and 1.3 solar mass, all at (fe/H) = +0.15. Comparison to the NGC 6791 BVI photometry of Kaluzny & Udalski (1992) and Montgomery et al. (1994) yields an age of 10.0 +/- 0.5 Gyr at an apparent distance modulus 13.49 less than (m-M)(sub V) less than 13.70. The color offsets required to fit the isochrones, combined with the spectroscopic results of Friel & Janes (1993), imply that the foreground reddening to NGC 6791 lies in the range 0.24 greater than E(B -V) greater than 0.19 with +0.27 less than (Fe/H) less than + 0.44. These results are derived using a technique by which we predict color shifts and apply these to the isochrones to simulate progressively higher metallicities. The zero-age horizontal branch model suggest that the red horizontal branch stars of NGC 6791 have masses approximately less than 0.7 solar mass. The masses are similar to those found for M67 red horizontal branch stars by Tripicco et al. (1993) and for globular cluster red horizontal branch stars, even though the M67 progenitors are approximately 0.2 solar-mass more massive, while the progenitors of globular cluster horizontal branch stars are similarly less massive. This suggests the presence of a mechanism, not strongly dependent on metallicity, which reduces stellar envelopes on the zero-age horizontal branch to a given mass rather than by a given amount.

Dorman, Ben↗
NASA NTRS2024

The CARMENES Search for Exoplanets Around M Dwarfs: Revisiting the GJ 581 Multi-Planetary System With New Doppler Measurements From CARMENES, HARPS, and HIRES

Context.GJ 581 is a nearby M dwarf known to host a packed multiple planet system composed of two super-Earths and a Neptune-mass planet. We present new orbital analyses of the GJ 581 system, utilizing recent radial velocity (RV) data obtained from the CARMENES spectrograph combined with newly reprocessed archival data from the HARPS and HIRES spectrographs. Aims.Our aim was to analyze the post-discovery spectroscopic data of GJ 581, which were obtained with CARMENES. In addition, we used publicly available HIRES and HARPS spectroscopic data to seek evidence of the known and disputed exoplanets in this system. We aimed to investigate the stellar activity of GJ 581 and update the planetary system’s orbital parameters using state-of-the-art numerical models and techniques. Methods.We performed a periodogram analysis of the available precise CARMENES, HIRES, and HARPS RVs and of stellar activity indicators. We conducted detailed orbital analyses by testing various orbital configurations consistent with the RV data. We studied the posterior probability distribution of the parameters fit to the data and we explored the long-term stability and overall orbital dynamics of the GJ 581 system. Results. We refined the orbital parameters of the GJ 581 system using the most precise and complete set of Doppler data available. Consistent with the existing literature, our analysis confirms that the system is unequivocally composed of only three planets detectable in the present data, dismissing the putative planet GJ 581 d as an artifact of stellar activity. Our N-body fit reveals that the system’s inclination is i=47.0+14.6−13.0deg, which implies that the planets could be up to 30% more massive than their previously reported minimum masses. Furthermore, we report that the GJ 581 system exhibits long-term stability, as indicated by the posterior probability distribution, characterized by secular dynamical interactions without the involvement of mean motion resonances.

Satellites↗