Search NASA⌕ Search

SEARCH · Search NASA

Results for “spectroscopic factors”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Real-Time Nitrate Ion Monitoring with Poly(3,4-ethylenedioxythiophene) (PEDOT) Materials

Nitrate (NO 3 ) pollution in groundwater, caused by various factors both natural and synthetic, contributes to the decline of human health and well-being. Current techniques used for nitrate detection include spectroscopic, electrochemical, chromatography, and capillary electrophoresis. It is highly desired to develop a simple cost-effective alternative to these complex methods for nitrate detection. Therefore, a real-time poly (3,4-ethylenedioxythiophene) (PEDOT)-based sensor for nitrate ion detection via electrical property change is introduced in this study. Vapor phase polymerization (VPP) is used to create a polymer thin film. Variations in specific parameters during the process are tested and compared to develop new insights into PEDOT sensitivity towards nitrate ions. Through this study, the optimal fabrication parameters that produce a sensor with the highest sensitivity toward nitrate ions are determined. With the optimized parameters, the electrical resistance response of the sensor to 1000 ppm nitrate solution is 41.79%. Furthermore, the sensors can detect nitrate ranging from 1 ppm to 1000 ppm. The proposed sensor demonstrates excellent potential to detect the overabundance of nitrate ions in aqueous solutions in real time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Radiative lifetimes and band oscillator strengths for metal oxides. II - SiO E 1 Sigma /+/-X 1 Sigma /+/

Use of an electron-beam phase-shift apparatus to obtain the radiative lifetimes for vibrational levels of the SiO E 1 Sigma (+) state. It is found that the radiative lifetimes for the vibrational transitions of the E-X band are independent of the vibrational upper state. The measured phase shifts yield cascade free lifetimes of 10.5 plus or minus 1.1 nsec for v' from 1 to 7. Spectroscopic data from Elander and Lagerqvist (1971) were used to calculate potential curves by the Klein-Dunham procedure, and Franck-Condon factors and r-centroids for the transition were computed.

Elander, N.↗
NASA NTRS2014

Timing and Flux Evolution of the Galactic Center Magnetar SGR J1745-2900

We present the X-ray timing and spectral evolution of the Galactic Center magnetar SGR J1745-2900 (SGR*) for the first 4 months post-discovery using data obtained with the Nuclear Spectroscopic Telescope Array (NuSTAR) and Swift observatories. Our timing analysis reveals a large increase in the magnetar spin-down rate by a factor of 2.6 plus or minus 0.07 over our data span. We further show that the change in spin evolution was likely coincident with a bright X-ray burst observed in 2013 June by Swift, and if so, there was no accompanying discontinuity in the frequency. We find that the source 3 to 10 kiloelectronvolt flux has declined monotonically by a factor of approximately 2 over an 80-day period post-outburst accompanied by an approximately 20 percent decrease in the source's blackbody temperature, although there is evidence for both flux and kiloteslas having leveled off. We argue that the torque variations are likely to be magnetospheric in nature and will dominate over any dynamical signatures of orbital motion around Sgr A*.

Stars: magnetic field↗
NASA NTRS1980

Spectroscopic determination of the in-situ composition of epoxy matrices in glass fiber reinforced composites

Computerized infrared analysis is applied to the characterization of a glass-reinforced crosslinked polyester. The method of factor analysis determines the number of independent components which constitute the polymeric matrix. Subsequently, the spectra of those components are fitted by a least-squares criterion to spectra of the multicomponent matrix, or, if the glass spectrum is included as an additional component, to the spectra of composites. The least-squares coefficients yield the matrix composition in terms of the initial reactant composition and the extent of crosslinking.

Antoon, M. K.↗
DOE OSTI2020

Unravelling a long-lived ligand-to-metal cluster charge transfer state in Ce–TCPP metal organic frameworks

Metal organic frameworks (MOFs) have emerged as promising photocatalytic materials for solar energy conversion. However, a fundamental understanding of light harvesting and charge separation (CS) dynamics in MOFs remains underexplored, yet they are key factors that determine the efficiency of photocatalysis. In this work, we report the design and CS dynamics of the Ce–TCPP MOF using ultrafast spectroscopic methods.

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

Determining Infrared Optical Constants for Dolomite using Single Angle Reflectance and Spectroscopic Ellipsometry

The optical constants, namely the real (n) and imaginary (k) parts of the complex refractive index, are of particular interest to generate the infrared (IR) spectra of liquid and solid materials in different morphologies. To obtain n/k, however, most materials are typically not found in the monolithic forms necessary to easily measure n/k, and thus require the use of other methods such as pressing powders to form planar, specularly-reflective pellets. In this work dolomite crystals are measured using fixed-angle IR reflectance spectroscopy in both 1) a monolithic form with the crystal fixed in epoxy and polished, but data are also recorded from 2) pressed-pellet forms of powders of the same mineral using the same spectroscopic protocols. First results for the two methods are compared. It was found that the measured reflectance can vary by as much as a factor of two between the dolomite crystals and the pressed powder forms. For the two-sample preparation approaches the preliminary spectra are compared and the implications and limitations of each method for determining the optical constants of given materials are discussed. Comparison to literature data suggest that polarization effects likely account for the differing amplitude results for reflectance (and hence the k -vectors): Dolomite is known to be biaxial with significantly differing ordinary and extraordinary rays; the pressed pellet method measures an ensemble of microcrystals in randomly oriented positions, whereas the single crystal maintains just one orientation relative to the optical axis.

ellipsometry, dolomite, complex refractive index, ↗
NASA NTRS1981

Spectroscopic determination of the in-situ composition of epoxy matrices in glass-fiber-reinforced composites

Computerized infrared analysis is applied to the characterization of a glass-reinforced crosslinked polyester. The method of factor analysis determines the number of independent components which constitute the polymeric matrix. Subsequently, the spectra of those components are fitted by a least-squares criterion to spectra of the multicomponent matrix, or, if the glass spectrum is included as an additional component, to the spectra of composites. The least-squares coefficients yield the matrix composition in terms of the initial reactant composition and the extent of crosslinking.

Antoon, M. K.↗
DOE OSTI2023

Binning is Sinning: Redemption for Hubble Diagram Using Photometrically Classified Type Ia Supernovae

Bayesian Estimation Applied to Multiple Species (BEAMS) is implemented in the BEAMS with Bias Corrections (BBC) framework to produce a redshift-binned Hubble diagram (HD) for Type Ia supernovae (SNe Ia). BBC corrects for selection effects and non–SN Ia contamination, and systematic uncertainties are described by a covariance matrix with dimension matching the number of BBC redshift bins. For spectroscopically confirmed SN Ia samples, a recent "Binning is Sinning" article showed that an unbinned HD and covariance matrix reduces the systematic uncertainty by a factor of ~1.5 compared to the binned approach. Here we extend their analysis to obtain an unbinned HD for a photometrically identified sample processed with BBC. To test this new method, we simulate and analyze 50 samples corresponding to the Dark Energy Survey (DES) with a low-redshift anchor; the simulation includes SNe Ia, and contaminants from core-collapse SNe and peculiar SNe Ia. The analysis includes systematic uncertainties for calibration and measures the dark energy equation of state parameter (w). Compared to a redshift-binned HD, the unbinned HD with nearly 2000 events results in a smaller systematic uncertainty, in qualitative agreement with BHS21, and averaging results among the 50 samples we find no evidence for a w-bias. To reduce computation time for fitting an unbinned HD with large samples, we propose an HD-rebinning method that defines the HD in bins of redshift, color, and stretch; the rebinned HD results in similar uncertainty as the unbinned case, and shows no evidence for a w-bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The role of transition metal formyl intermediates in the reduction of CO and CO 2

Transition-metal formyl (metalloformyl) complexes occupy a central position in the activation of small molecules, particularly in the reduction of carbon monoxide (CO) and carbon dioxide (CO 2 ). This review examines five decades of progress in the synthesis of metalloformyl complexes and investigations into their structure and reactivity. The bonding in the M–CHO unit is best described as a resonance hybrid between a classical σ-bound formyl ligand and an oxycarbene-like electronic structure, which governs their distinctive spectroscopic signatures and versatile reactivity. Established synthetic routes are summarized, including pathways involving hydride addition and CO insertion, alongside a discussion of the thermodynamic and kinetic factors that control formyl stability. Decomposition pathways and Lewis-acid stabilization strategies are analyzed as key design principles for extending metalloformyl lifetimes under catalytic conditions. Particular attention is given to hydride transfer processes and the role of metalloformyl intermediates as both reactive substrates and hydride sources in reduction chemistry. Lastly, emerging catalytic strategies that exploit metalloformyl intermediates in CO 2 and CO reduction are evaluated, highlighting how control of hydricity, redox potential, and secondary-sphere interactions enables selective C—H bond formation under comparatively mild conditions. Collectively, these studies establish metalloformyl complexes as mechanistically informative and functionally relevant intermediates that bridge fundamental organometallic chemistry with modern approaches to small-molecule activation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Spectroscopic Insight on Neodymium Solvation in Lithium Borohydride-Supported Electrolyte

Borohydride-based electrolytes have recently emerged as promising media for the electrodeposition of electropositive metals, including rare earth (RE) elements. While the presence of supporting alkali metal cations and RE counteranions provides essential electrochemical conductivity for achieving fast metal electrodeposition, interactions between the host ligand and solvated neodymium (Nd) complexes remain unclear. This study provides insights into the coordination structure of a concentrated and directly solvated Nd salt in a lithium borohydride-supported electrolyte. Our spectroscopic results indicate that the RE coordination environment is significantly influenced by the solvation mechanism, which can vary between metathesis and complexation pathways, primarily dictated by stoichiometric factors. Under dilute conditions, nearly complete metathesis of anions leads to a high coordination number for the host ligand (borohydride), consistent with the previously reported solvated Nd speciation in chlorine-free electrolytes. In contrast, concentrated dissolution of the Nd salt in the supported electrolyte is dominated by a complexation pathway featuring a Li-ion-paired complex with a low coordination number of the host ligand. Density functional theory (DFT) calculations indicated that the observed blue shift in the borohydride vibration was the result of an increase in electron density drawn into the terminal B–H interbond region from the hydride as the coordination changed from Li to Nd. In conjunction with DFT results, vibrational analyses allowed correlation of the experimental shifts associated with changes in Nd ligation and coordination spheres, further consolidating the prevalence of highly chloride-coordinated species under concentrated conditions. In conclusion, the outcomes of this work illuminate the distinctive and heterogeneous coordination structures that the electroactive RE species can adopt at high concentrations in lithium borohydride-supported electrolytes, as a key step to comprehend the reported metal electrodeposition performance in these media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Developmental Research in Space: Predicting Adult Neurobehavioral Phenotypes via Metabolomic Imaging

As human habitation and eventual colonization of space becomes an inevitable reality, there is a necessity to understand how organisms develop over the life span in the space environment. Microgravity, altered CO2, radiation and psychological stress are some of the key factors that could affect mammalian reproduction and development in space, however there is a paucity of information on this topic. Here we combine early (neonatal) in vivo spectroscopic imaging with an adult emotionality assay following a common obstetric complication (prenatal asphyxia) likely to occur during gestation in space. The neural metabolome is sensitive to alteration by degenerative changes and developmental disorders, thus we hypothesized that that early neonatal neurometabolite profiles can predict adult response to novelty. Late gestation fetal rats were exposed to moderate asphyxia by occluding the blood supply feeding one of the rats pair uterine horns for 15min. Blood supply to the opposite horn was not occluded (within-litter cesarean control). Further comparisons were made with vaginal (natural) birth controls. In one-week old neonates, we measured neurometabolites in three brain areas (i.e., striatum, prefrontal cortex, and hippocampus). Adult perinatally-asphyxiated offspring exhibited greater anxiety-like behavioral phenotypes (as measured the composite neurobehavioral assay involving open field activity, responses to novel object, quantification of fecal droppings, and resident-intruder tests of social behavior). Further, early neurometabolite profiles predicted adult responses. Non-invasive MRS screening of mammalian offspring is likely to advance ground-based space analogue studies informing mammalian reproduction in space, and achieving high-priority multigenerational research that will enable studies of the first truly space-developed mammals.

Schorn, Julia M.↗
NASA NTRS2017

Developmental Research in Space: Predicting Adult Neurobehavioral Phenotypes via Metabolomic Imaging

As human habitation and eventual colonization of space becomes an inevitable reality, there is a necessity to understand how organisms develop over the life span in the space environment. Microgravity, altered CO2, radiation and psychological stress are some of the key factors that could affect mammalian reproduction and development in space, however there is a paucity of information on this topic. Here we combine early (neonatal) in vivo spectroscopic imaging with an adult emotionality assay following a common obstetric complication (prenatal asphyxia) likely to occur during gestation in space. The neural metabolome is sensitive to alteration by degenerative changes and developmental disorders, thus we hypothesized that that early neonatal neurometabolite profiles can predict adult response to novelty. Late gestation fetal rats were exposed to moderate asphyxia by occluding the blood supply feeding one of the rats pair uterine horns for 15min. Blood supply to the opposite horn was not occluded (within-litter cesarean control). Further comparisons were made with vaginal (natural) birth controls. In one-week old neonates, we measured neurometabolites in three brain areas (i.e., striatum, prefrontal cortex, and hippocampus). Adult perinatally-asphyxiated offspring exhibited greater anxiety-like behavioral phenotypes (as measured the composite neurobehavioral assay involving open field activity, responses to novel object, quantification of fecal droppings, and resident-intruder tests of social behavior). Further, early neurometabolite profiles predicted adult responses. Non-invasive MRS screening of mammalian offspring is likely to advance ground-based space analogue studies informing mammalian reproduction in space, and achieving high-priority.

rodent development spacefligh↗
DOE OSTI2026

Identifying Anomalous DESI Galaxy Spectra with a Variational Autoencoder

The tens of millions of spectra being captured by the Dark Energy Spectroscopic Instrument (DESI) provide tremendous discovery potential. In this work we show how Machine Learning, in particular Variational Autoencoders (VAE), can detect anomalies in a sample of approximately 200,000 DESI spectra comprising galaxies, quasars and stars. We demonstrate that the VAE can compress the dimensionality of a spectrum by a factor of 100, while still retaining enough information to accurately reconstruct spectral features. We then detect anomalous spectra as those with high reconstruction error and those which are isolated in the VAE latent representation. The anomalies identified fall into two categories: spectra with artefacts and spectra with unique physical features. Awareness of the former can help to improve the DESI spectroscopic pipeline; whilst the latter can lead to the identification of new and unusual objects. To further curate the list of outliers, we use the Astronomaly package which employs Active Learning to provide personalised outlier recommendations for visual inspection. In this work we also explore the VAE latent space, finding that different object classes and subclasses are separated despite being unlabelled. We demonstrate the interpretability of this latent space by identifying tracks within it that correspond to various spectral characteristics. For example, we find tracks that correspond to increasing star formation and increase in broad emission lines along the Balmer series. In upcoming work we hope to apply the methods presented here to search for both systematics and astrophysically interesting objects in much larger datasets of DESI spectra.

Nicolaou, C. [University Coll. London] (ORCID:0000↗
DOE OSTI2024

SAGAbg. I. A Near-unity Mass-loading Factor in Low-mass Galaxies via Their Low-redshift Evolution in Stellar Mass, Oxygen Abundance, and Star Formation Rate

Measuring the relation between star formation and galactic winds is observationally difficult. In this work we make an indirect measurement of the mass-loading factor (the ratio between the mass outflow rate and star formation rate) in low-mass galaxies using a differential approach to modeling the low-redshift evolution of the star-forming main sequence and mass–metallicity relation. We use Satellites Around Galactic Analogs (SAGA) background galaxies, i.e., spectra observed by the SAGA Survey that are not associated with the main SAGA host galaxies, to construct a sample of 11,925 spectroscopically confirmed low-mass galaxies from 0.01 ≲ z ≤ 0.21 and measure auroral line metallicities for 120 galaxies. The crux of the method is to use the lowest-redshift galaxies as the boundary condition of our model, and to infer a mass-loading factor for the sample by comparing the expected evolution of the low-redshift reference sample in stellar mass, gas-phase metallicity, and star formation rate against the observed properties of the sample at higher redshift. We infer a mass-loading factor of η m = $0.92^{+1.76}_{-0.74}$, which is in line with direct measurements of the mass-loading factor from the literature despite the drastically different sets of assumptions needed for each approach. While our estimate of the mass-loading factor is in good agreement with recent galaxy simulations that focus on resolving the dynamics of the interstellar medium, it is smaller by over an order of magnitude than the mass-loading factor produced by many contemporary cosmological simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Strongly correlated Chern insulators in magic-angle twisted bilayer graphene

Interactions between electrons and the topology of their energy bands can create unusual quantum phases of matter. Most topological electronic phases appear in systems with weak electron–electron interactions. The instances in which topological phases emerge only as a result of strong interactions are rare and mostly limited to those realized in intense magnetic fields. The discovery of flat electronic bands with topological character in magic-angle twisted bilayer graphene (MATBG) has created a unique opportunity to search for strongly correlated topological phases. Here we introduce a local spectroscopic technique using a scanning tunnelling microscope to detect a sequence of topological insulators in MATBG with Chern numbers C = ±1, ±2 and ±3, which form near filling factors of ±3, ±2 and ±1 electrons per moiré unit cell, respectively, and are stabilized by modest magnetic fields. One of the phases detected here (C = +1) was previously observed when the sublattice symmetry of MATBG was intentionally broken by a hexagonal boron nitride substrate, with interactions having a secondary role. We also demonstrate that strong electron–electron interactions alone can produce not only the previously observed phase, but also other unexpected Chern insulating phases in MATBG. The full sequence of phases that we observe can be understood by postulating that strong correlations favour breaking time-reversal symmetry to form Chern insulators that are stabilized by weak magnetic fields. Our findings illustrate that many-body correlations can create topological phases in moiré systems beyond those anticipated from weakly interacting models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Enhanced analysis of experimental x-ray spectra through deep learning

X-ray spectroscopic data from high-energy-density laser-produced plasmas has long required thorough, time-consuming analysis to extract meaningful source conditions. There are often confounding factors due to rapidly evolving states and finite spatial gradients (e.g., the existence of multi-temperature, multi-density, multi-ionization states, etc.) that make spectral measurements and analysis difficult. Here, in this paper, we demonstrate how deep learning can be applied to enhance x-ray spectral data analysis in both speed and intricacy. Neural networks (NNs) are trained on ensemble atomic physics simulations so that they can subsequently construct a model capable of extracting plasma parameters directly from experimental spectra. Through deep learning, the models can extract temperature distributions as opposed to single or dual temperature/density fits from standard trial-and-error atomic modeling at a significantly reduced computational cost compared to traditional trial-and-error methods. These NNs are envisioned to be deployed with high repetition rate x-ray spectrometers in order to provide detailed real-time analysis of experimental spectra.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

ASASSN-14ko is a Periodic Nuclear Transient in ESO 253-G003

We present the discovery that ASASSN-14ko is a periodically flaring active galactic nucleus at the center of the galaxy ESO 253-G003. At the time of its discovery by the All-Sky Automated Survey for Supernovae (ASAS-SN), it was classified as a supernova close to the nucleus. The subsequent 6 yr of V - and g -band ASAS-SN observations revealed that ASASSN-14ko has nuclear flares occurring at regular intervals. The 17 observed outbursts show evidence of a decreasing period over time, with a mean period of P 0 = 114.2 ± 0.4 days and a period derivative of . The most recent outburst in 2020 May, which took place as predicted, exhibited spectroscopic changes during the rise and had a UV bright, blackbody spectral energy distribution similar to tidal disruption events (TDEs). The X-ray flux decreased by a factor of 4 at the beginning of the outburst and then returned to its quiescent flux after ~8 days. The Transiting Exoplanet Survey Satellite observed an outburst during Sectors 4–6, revealing a rise time of 5.60 ± 0.05 days in the optical and a decline that is best fit with an exponential model. We discuss several possible scenarios to explain ASASSN-14ko’s periodic outbursts, but currently favor a repeated partial TDE. The next outbursts should peak in the optical on UT 2020 September 7.4±1.1 and UT 2020 December 26.5±1.4.

Astronomy & Astrophysics↗
DOE OSTI2025

The z ∼ 1.03 Merging Cluster SPT-CL J0356–5337: New Strong Lensing Analysis with HST and MUSE

We present a strong lensing analysis and reconstruct the mass distribution of SPT-CL J0356−5337, a galaxy cluster at redshift z = 1.034. Our model supersedes previous models by making use of new multiband Hubble Space Telescope data and Multi-Unit Spectroscopic Explorer (MUSE) spectroscopy. We identify two additional lensed galaxies to inform a more well-constrained model using 12 sets of multiple images in five separate lensed sources. The three previously known sources were spectroscopically confirmed by G. Mahler et al. at redshifts of z = 2.363, z = 2.364, and z = 3.048. We measured the spectroscopic redshifts of two of the newly discovered arcs using MUSE data, at z = 3.0205 and z = 5.3288. We increase the number of cluster member galaxies by a factor of 3 compared to previous work. We also report the detection of extended Lyα emission from several background galaxies. We measure the total projected mass density of the two major subcluster components, one dominated by the brightest cluster galaxy and the other by a compact group of luminous red galaxies. We find ${M}_{{\rm{B}}{\rm{C}}{\rm{G}}}(\lt 80\,\rm{kpc})=3.9{3}_{-0.14}^{+0.21}\times 1{0}^{13}$ M⊙ and ${M}_{{\rm{LRG}}}(\lt 80\,\rm{kpc})=2.9{2}_{-0.23}^{+0.16}\times 1{0}^{13}$ M⊙, yielding a mass ratio of $1.3{5}_{-0.08}^{+0.16}$ . The strong lensing constraints offer a robust estimate of the projected mass density regardless of modeling assumptions; allowing more substructure in this line of sight does not change the results or conclusions. Our results corroborate the conclusion that SPT-CL J0356−5337 is dominated by two mass components and is likely undergoing a major merger on the plane of the sky.

79 ASTRONOMY AND ASTROPHYSICS↗