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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electron Affinity and Electronic Structure of Hexafluoroacetone (HFA) Revealed by Photodetaching the [HFA] •– Radical Anion

A great deal of effort has been focused on developing a metal-free catalytic system for epoxidation of unreactive alkenes. Fluoroketones are thought as remarkably promising catalysts for epoxidation reactions. The combination of fluorinated alcohols and catalytic amounts of hexafluoroacetone (HFA) gives a versatile and effective medium for epoxidation of various olefins with hydrogen peroxide. However, the fundamental physicochemical properties of HFA remained largely unclear, although they were very important to understand the related interactions. Here, in this study, we performed a joint study on the electron affinity and electronic structure of HFA employing negative ion photoelectron (NIPE) spectroscopy and quantum chemistry calculations. Two distinct bands with complicated vibrational progressions were observed in the 193 nm NIPE spectrum. The adiabatic/vertical detachment energies (ADE/VDE) were derived to be 1.42/2.06 and 4.43/4.86 eV for the ground singlet state and excited triplet state, respectively. Using the optimized geometries and vibrational frequencies of the anion and the neutral, the Franck–Condon factors were calculated for electron detachments to produce HFA in its lowest singlet and triplet states. Good agreements are obtained hereby for both bands between the experimental and calculated NIPE spectra, when taking into account combination vibrational excitations, unequivocally revealing that HFA possesses a singlet ground state with a giant singlet–triplet energy difference (ΔE ST ). The electron affinity (EA) and ΔE ST of HFA were therefore determined to be EA = 1.42 ± 0.02 eV and ΔE ST = −3.01 eV.

Wang, Lei↗
DOE OSTI2014

The electronic structure of vanadium monochloride cation (VCl{sup +}): Tackling the complexities of transition metal species

Six electronic states (X {sup 4}Σ{sup −}, A {sup 4}Π, B {sup 4}Δ, {sup 2}Φ, {sup 2}Δ, {sup 2}Σ{sup +}) of the vanadium monochloride cation (VCl{sup +}) are described using large basis set coupled cluster theory. For the two lowest quartet states (X {sup 4}Σ{sup −} and A {sup 4}Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T{sub 0}) and spectroscopic constants (r{sub e}, r{sub 0}, B{sub e}, B{sub 0}, D{sup ¯}{sub e}, H{sub e}, ω{sub e}, v{sub 0}, α{sub e}, ω{sub e}x{sub e}) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X {sup 4}Σ{sup −}), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state ({sup 2}Γ) has a T{sub e} of ∼11 200 cm{sup −1}. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

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

J-PLUS: Support vector regression to measure stellar parameters

Stellar parameters are among the most important characteristics in studies of stars which, in traditional methods, are based on atmosphere models. However, time, cost, and brightness limits restrain the efficiency of spectral observations. The Javalambre Photometric Local Universe Survey (J-PLUS) is an observational campaign that aims to obtain photometry in 12 bands. Owing to its characteristics, J-PLUS data have become a valuable resource for studies of stars. Machine learning provides powerful tools for efficiently analyzing large data sets, such as the one from J-PLUS, and enables us to expand the research domain to stellar parameters. The main goal of this study is to construct a support vector regression (SVR) algorithm to estimate stellar parameters of the stars in the first data release of the J-PLUS observational campaign. The training data for the parameter's regressions are featured with 12-waveband photometry from J-PLUS and are crossidentified with spectrum-based catalogs. These catalogs are from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope, the Apache Point Observatory Galactic Evolution Experiment, and the Sloan Extension for Galactic Understanding and Exploration. We then label them with the stellar effective temperature, the surface gravity, and the metallicity. Ten percent of the sample is held out to apply a blind test. We develop a new method, a multi-model approach, in order to fully take into account, the uncertainties of both the magnitudes and the stellar parameters. The method utilizes more than 200 models to apply the uncertainty analysis. We present a catalog of 2 493 424 stars with the root mean square error of 160 K in the effective temperature regression, 0.35 in the surface gravity regression, and 0.25 in the metallicity regression. We also discuss the advantages of this multi-model approach and compare it to other machine-learning methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE IMPACT OF THE IONOSPHERE ON GROUND-BASED DETECTION OF THE GLOBAL EPOCH OF REIONIZATION SIGNAL

The redshifted 21 cm line of neutral hydrogen (H i), potentially observable at low radio frequencies (∼50–200 MHz), is a promising probe of the physical conditions of the intergalactic medium during Cosmic Dawn and the Epoch of Reionization (EoR). The sky-averaged H i signal is expected to be extremely weak (∼100 mK) in comparison to the Galactic foreground emission (∼10{sup 4} K). Moreover, the sky-averaged spectra measured by ground-based instruments are affected by chromatic propagation effects (∼tens of kelvin) originating in the ionosphere. We analyze data collected with the upgraded Broadband Instrument for Global Hydrogen Reionization Signal system deployed at the Murchison Radio-astronomy Observatory to assess the significance of ionospheric effects on the detection of the global EoR signal. The ionospheric effects identified in these data are, particularly during nighttime, dominated by absorption and emission. We measure some properties of the ionosphere, such as the electron temperature (T{sub e} ≈ 470 K at nighttime), magnitude, and variability of optical depth (τ{sub 100} {sub MHz} ≈ 0.01 and δτ ≈ 0.005 at nighttime). According to the results of a statistical test applied on a large data sample, very long integrations (∼100 hr collected over approximately 2 months) lead to increased signal-to-noise ratio even in the presence of ionospheric variability. This is further supported by the structure of the power spectrum of the sky temperature fluctuations, which has flicker noise characteristics at frequencies ≳10{sup −5} Hz, but becomes flat below ≈10{sup −5} Hz. Hence, we conclude that the stochastic error introduced by the chromatic ionospheric effects tends to zero in an average. Therefore, the ionospheric effects and fluctuations are not fundamental impediments preventing ground-based instruments from integrating down to the precision required by global EoR experiments, provided that the ionospheric contribution is properly accounted for in the data analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Two-colour interferometry and Thomson scattering measurements of a plasma gun

We present experimental measurements of a pulsed plasma gun, using two-colour imaging laser interferometry and spatially resolved Thomson scattering. Interferometry measurements give an electron density n e ≈ 2:7 × 1017 cm -3 at the centre of the plasma plume, at 5 mm from the plasma gun nozzle. The Thomson scattered light is collected from two probing angles allowed us to simultaneously measure the collective and non-collective spectrum of the electron feature from the same spatial locations. The inferred electron densities from the location of the electron plasma waves is in agreement with interferometry. The electron temperatures inferred from the two spectra are not consistent, with T e ≈ 10 eV for non-collective scattering and T e ≈ 30 eV for collective scattering. Here, we discuss various broadening mechanisms such as finite aperture effects, density gradients within the collective volume and collisional broadening to account for some of this discrepancy. We also note the significant red/blue asymmetry of the electron plasma waves in the collective scattering spectra, which could relate to kinetic effects distorting the distribution function of the electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Bias-limited extraction of cosmological parameters

It is known that modeling uncertainties and astrophysical foregrounds can potentially introduce appreciable bias in the deduced values of cosmological parameters. While it is commonly assumed that these uncertainties will be accounted for to a sufficient level of precision, the level of bias has not been properly quantified in most cases of interest. We show that the requirement that the bias in derived values of cosmological parameters does not surpass nominal statistical error, translates into a maximal level of overall error O(N{sup −½}) on |ΔP(k)|/P(k) and |ΔC{sub l}|/C{sub l}, where P(k), C{sub l}, and N are the matter power spectrum, angular power spectrum, and number of (independent Fourier) modes at a given scale l or k probed by the cosmological survey, respectively. This required level has important consequences on the precision with which cosmological parameters are hoped to be determined by future surveys: in virtually all ongoing and near future surveys N typically falls in the range 10{sup 6}−10{sup 9}, implying that the required overall theoretical modeling and numerical precision is already very high. Future redshifted-21-cm observations, projected to sample ∼ 10{sup 14} modes, will require knowledge of the matter power spectrum to a fantastic 10{sup −7} precision level. We conclude that realizing the expected potential of future cosmological surveys, which aim at detecting 10{sup 6}−10{sup 14} modes, sets the formidable challenge of reducing the overall level of uncertainty to 10{sup −3}−10{sup −7}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Process of negative-muon-induced formation of an ionized acceptor center ({sub μ}A){sup –} in crystals with the diamond structure

The formation of an ionized acceptor center by a negative muon in crystals with the diamond structure is considered. The negative muon entering a target is captured by a nucleus, forming a muonic atom {sub μ}A coupled to a lattice. The appearing radiation-induced defect has a significant electric dipole moment because of the violation of the local symmetry of the lattice and changes the phonon spectrum of the crystal. The ionized acceptor center is formed owing to the capture of an electron interacting with the electric dipole moment of the defect and with the radiation of a deformation-induced local-mode phonon. Upper and lower bounds of the formation rate of the ionized acceptor center in diamond, silicon, and germanium crystals are estimated. It is shown that the kinetics of the formation of the acceptor center should be taken into account when processing μSR experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

The Galactic Center: A Petaelectronvolt Cosmic-ray Acceleration Factory

The multiteraelectronvolt γ -rays from the galactic center (GC) have a cutoff at tens of teraelectronvolts, whereas the diffuse emission has no such cutoff, which is regarded as an indication of petaelectronvolt proton acceleration by the HESS experiment. It is important to understand the inconsistency and study the possibility that petaelectronvolt cosmic-ray acceleration could account for the apparently contradictory point and diffuse γ -ray spectra. In this work, we propose that the cosmic rays are accelerated up to greater than petaelectronvolts in the GC. The interaction between cosmic rays and molecular clouds is responsible for the multiteraelectronvolt γ -ray emissions from both the point and diffuse sources today. Enhanced by the small volume filling factor (VFF) of the clumpy structure, the absorption of the γ -rays leads to a sharp cutoff spectrum at tens of teraelectronvolts produced in the GC. Away from the GC, the VFF grows, and the absorption enhancement becomes negligible. As a result, the spectra of γ -ray emissions for both point and diffuse sources can be successfully reproduced under such a self-consistent picture. In addition, a “surviving tail” at ∼100 TeV is expected from the point source, which can be observed by future projects CTA and LHAASO. Neutrinos are simultaneously produced during proton-proton (PP) collision. With 5–10 years of observations, the KM3Net experiment will be able to detect the petaelectronvolt source according to our calculation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Enabling Robust Exoplanet Atmospheric Retrievals with Gaussian Processes

Atmospheric retrievals are essential tools for interpreting exoplanet transmission and eclipse spectra, enabling quantitative constraints on the chemical composition, aerosol properties, and thermal structure of planetary atmospheres. The James Webb Space Telescope (JWST) offers unprecedented spectral precision, resolution, and wavelength coverage, unlocking transformative insights into the formation, evolution, climate, and potential habitability of planetary systems. However, this opportunity is accompanied by challenges: modeling assumptions and unaccounted-for noise or signal sources can bias retrieval outcomes and their interpretation. To address these limitations, we introduce a Gaussian process (GP)-aided atmospheric retrieval framework that flexibly accounts for unmodeled features and correlated noise in exoplanet spectra. We validate this method on synthetic JWST observations, and show that GP-aided retrievals reduce bias in inferred abundances and better capture model–data mismatches than traditional approaches. We also introduce the concept of mean squared error to quantify the trade-off between bias and variance, arguing that this metric more accurately reflects retrieval performance than bias alone. We then reanalyze the NIRISS/SOSS JWST transmission spectrum of WASP-96 b, finding that GP-aided retrievals yield broader constraints on CO 2 and H 2 O, possibly alleviating tension between previous retrieval results and equilibrium predictions. Our GP framework provides precise and accurate constraints while highlighting regions where models fail to explain the data. As JWST matures and future facilities come online, a deeper understanding of the limitations of both data and models will be essential, and GP-enabled retrievals like the one presented here offer a principled path forward.

Rotman, Yoav [Arizona State Univ., Tempe, AZ (Unit↗
NASA NTRS1983

Time-resolved ultraviolet and optical spectroscopy of the pulsating X-ray source H2252-035

UV spectrophotometry and and optical spectroscopy of H2252-035, a close binary featuring a spinning, magnetized star, were carried out with instrumentation on the IUE satellite, in addition to ground-based observations from the Lick Observatory. An excess reddening was determined, with E(B-V) equal to 0.10. The spectrum from 1200-22,000 A was decomposed into a blackbody with a temperature of 13,400 K and a power law wavelength component, where the exponent is 2.74, which fits the excess UV and IR excesses. The exponent value is noted to be amenable to a disk model with a slight curvature because of its finite extent. The emission-line intensities were found to vary by a factor of two, with some of the variations accountable by a modulation in-phase with the optical continuum binary modulation.

Cordova, F. A.↗
NASA NTRS1992

How well is Martian ozone inferred with reflectance spectroscopy?

The Mariner 9 UV spectrometer scanned from 2100 to 3500 Angstroms in one of its two spectral channels every 3 seconds with a spectral resolution of 15 Angstroms and an effective field-of-view of approximately 300 km(exp 2). The only gaseous absorption in the 2000 to 3000 Angstrom region was assumed to come from the Hartley band system of ozone, and therefore the amount of ozone was inferred by fitting this absorption feature with laboratory data of ozone absorption. Mars O3 as inferred from these spectra shows strong seasonal and latitudinal variation, with column abundances ranging from 0.2 microns at equatorial latitudes to 60 microns over the northern winter polar latitudes. The detectability limit of the spectrometer was approximately 3 microns. I use a radiative transfer model based on the discrete ordinate method to calculate synthetic radiance spectra. When typical amounts of dust and cloud are present, significant underestimation of O3 occurs. A factor of 3 times as much O3 is needed to generate the same spectrum for cloudy, dusty atmospheres as for a clear atmosphere. If the scattering properties of Martian clouds and dust were well known, then their appearance would not be a problem, as a model would be capable of retrieving the O3 abundance. However, these properties are not well known, which raises doubts about the effectiveness of the current UV spectroscopy technique used to measure O3. Spatial and temporal variability in temperature and water vapor have been claimed to account for the scatter of the data points. However, water vapor is a small source of odd hydrogen in the winter polar atmosphere, and may not account for most of the variability. Masking by clouds and dust may also account for some of the observed O3 variability, because the nature and opacity of the clouds and dust in the polar hood change dramatically in latitude and even on a day-to-day basis. As the maximum O3 abundance resides near the surface, spacecraft must be able to observe through the entire cloud and dust abundance in order to actually see the total O3 column abundance. If reflectance spectroscopy is used, as on Mariner 9, then the cloud and the airborne dust must be traversed twice; first by the incoming solar flux down to the surface, and then once again upon reflection from the surface out to the spacecraft.

Lindner, Bernhard Lee↗
NASA NTRS1996

Electric Propulsion Applications and Impacts

Most space missions require on-board propulsion systems and these systems are often dominant spacecraft mass drivers. Presently, on-board systems account for more than half the injected mass for commercial communications systems and even greater mass fractions for ambitious planetary missions. Anticipated trends toward the use of both smaller spacecraft and launch vehicles will likely increase pressure on the performance of on-board propulsion systems. The acceptance of arcjet thrusters for operational use on commercial communications satellites ushered in a new era in on-board propulsion and exponential growth of electric propulsion across a broad spectrum of missions is anticipated. NASA recognizes the benefits of advanced propulsion and NASA's Office of Space Access and Technology supports an aggressive On-Board Propulsion program, including a strong electric propulsion element, to assure the availability of high performance propulsion systems to meet the goals of the ambitious missions envisioned in the next two decades. The program scope ranges from fundamental research for future generation systems through specific insertion efforts aimed at near term technology transfer. The On-Board propulsion program is committed to carrying technologies to levels required for customer acceptance and emphasizes direct interactions with the user community and the development of commercial sources. This paper provides a discussion of anticipated missions, propulsion functions, and electric propulsion impacts followed by an overview of the electric propulsion element of the NASA On-Board Propulsion program.

Curran, Frank M.↗
NASA NTRS2007

Sensing Super-Position: Human Sensing Beyond the Visual Spectrum

The coming decade of fast, cheap and miniaturized electronics and sensory devices opens new pathways for the development of sophisticated equipment to overcome limitations of the human senses. This paper addresses the technical feasibility of augmenting human vision through Sensing Super-position by mixing natural Human sensing. The current implementation of the device translates visual and other passive or active sensory instruments into sounds, which become relevant when the visual resolution is insufficient for very difficult and particular sensing tasks. A successful Sensing Super-position meets many human and pilot vehicle system requirements. The system can be further developed into cheap, portable, and low power taking into account the limited capabilities of the human user as well as the typical characteristics of his dynamic environment. The system operates in real time, giving the desired information for the particular augmented sensing tasks. The Sensing Super-position device increases the image resolution perception and is obtained via an auditory representation as well as the visual representation. Auditory mapping is performed to distribute an image in time. The three-dimensional spatial brightness and multi-spectral maps of a sensed image are processed using real-time image processing techniques (e.g. histogram normalization) and transformed into a two-dimensional map of an audio signal as a function of frequency and time. This paper details the approach of developing Sensing Super-position systems as a way to augment the human vision system by exploiting the capabilities of Lie human hearing system as an additional neural input. The human hearing system is capable of learning to process and interpret extremely complicated and rapidly changing auditory patterns. The known capabilities of the human hearing system to learn and understand complicated auditory patterns provided the basic motivation for developing an image-to-sound mapping system. The human brain is superior to most existing computer systems in rapidly extracting relevant information from blurred, noisy, and redundant images. From a theoretical viewpoint, this means that the available bandwidth is not exploited in an optimal way. While image-processing techniques can manipulate, condense and focus the information (e.g., Fourier Transforms), keeping the mapping as direct and simple as possible might also reduce the risk of accidentally filtering out important clues. After all, especially a perfect non-redundant sound representation is prone to loss of relevant information in the non-perfect human hearing system. Also, a complicated non-redundant image-to-sound mapping may well be far more difficult to learn and comprehend than a straightforward mapping, while the mapping system would increase in complexity and cost. This work will demonstrate some basic information processing for optimal information capture for headmounted systems.

Maluf, David A.↗
DOE OSTI2014

Gamma-ray burst spectrum with decaying magnetic field

In the internal shock model for gamma-ray bursts (GRBs), the synchrotron spectrum from the fast cooling electrons in a homogeneous downstream magnetic field (MF) is too soft to produce the low-energy slope of GRB spectra. However, the MF may decay downstream with distance from the shock front. Here we show that the synchrotron spectrum becomes harder if electrons undergo synchrotron and inverse-Compton cooling in a decaying MF. To reconcile this with the typical GRB spectrum with low-energy slope νF {sub ν}∝ν, the postshock MF decay time must be comparable to the cooling time of the bulk electrons (corresponding to a MF decaying length typically of ∼10{sup 5} skin depths); that the inverse-Compton cooling should dominate synchrotron cooling after the MF decay time; and/or that the MF decays with comoving time roughly as B∝t {sup –1.5}. An internal shock synchrotron model with a decaying MF can account for the majority of GRBs with low-energy slopes not harder than ν{sup 4/3}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Cross-correlation between the CMB lensing potential measured bY Planck and high-z submillimeter galaxies detected by the Herschel-ATLAS Survey

We present the first measurement of the correlation between the map of the cosmic microwave background (CMB) lensing potential derived from the Planck nominal mission data and z≳1.5 galaxies detected by the Herschel-ATLAS (H-ATLAS) survey covering about 600 deg{sup 2}, i.e., about 1.4% of the sky. We reject the hypothesis that there is no correlation between CMB lensing and galaxy detection at a 20σ significance, checking the result by performing a number of null tests. The significance of the detection of the theoretically expected cross-correlation signal is found to be 10σ. The galaxy bias parameter, b, derived from a joint analysis of the cross-power spectrum and of the autopower spectrum of the galaxy density contrast is found to be b=2.80{sub −0.11}{sup +0.12}, consistent with earlier estimates for H-ATLAS galaxies at similar redshifts. On the other hand, the amplitude of the cross-correlation is found to be a factor 1.62 ± 0.16 higher than expected from the standard model and also found by cross-correlation analyses with other tracers of the large-scale structure. The enhancement due to lensing magnification can account for only a fraction of the excess cross-correlation signal. We suggest that part of it may be due to an incomplete removal of the contamination of the cosmic infrared background, which includes the H-ATLAS sources we are cross-correlating with. In any case, the highly significant detection reported here using a catalog covering only 1.4% of the sky demonstrates the potential of CMB lensing correlations with submillimeter surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

GAMMA-RAY BLAZARS NEAR EQUIPARTITION AND THE ORIGIN OF THE GeV SPECTRAL BREAK IN 3C 454.3

Observations performed with the Fermi-LAT telescope have revealed the presence of a spectral break in the GeV spectrum of flat-spectrum radio quasars (FSRQs) and other low- and intermediate-synchrotron peaked blazars. We propose that this feature can be explained by Compton scattering of broad-line region photons by a non-thermal population of electrons described by a log-parabolic function. We consider in particular a scenario in which the energy densities of particles, magnetic field, and soft photons in the emitting region are close to equipartition. We show that this model can satisfactorily account for the overall spectral energy distribution of the FSRQ 3C 454.3, reproducing the GeV spectral cutoff due to Klein-Nishina effects and a curving electron distribution.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Colliding winds from early-type stars in binary systems

The dynamics of the wind and shock structure formed by the wind collision in early-type binary systems is examined by means of a 2D hydrodynamics code, which self-consistently accounts for radiative cooling, and represents a significant improvement over previous attempts to model these systems. The X-ray luminosity and spectra of the shock-heated region, accounting for wind attenuation and the influence of different abundances on the resultant level and spectra of X-ray emission are calculated. A variety of dynamical instabilities that are found to dominate the intershock region is examined. These instabilities are found to be particularly important when postshock material is able to cool. These instabilities disrupt the postshock flow and add a time variability of order 10 percent to the X-ray luminosity. The X-ray spectrum of these systems is found to vary with the nuclear abundances of winds. These theoretical models are used to study several massive binary systems, in particular V444 Cyg and HD 193793.

Stevens, Ian R.↗