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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Americium Oxalate: An Experimental and Computational Investigation of Metal–Ligand Bonding

A novel actinide-containing coordination polymer, [Am(C 2 O 4 )(H 2 O) 3 Cl] (Am-1), has been synthesized and structurally characterized. The crystallographic analysis reveals that the structure is two-dimensional and comprised of pseudo-dimeric Am 3+ nodes that are bridged by oxalate ligands to form sheets. Each metal center is nine-coordinate, forming a distorted capped square antiprism geometry with a C 1 symmetry, and features bound oxalate, aqua, and chloro ligands. The Am 3+ –ligand bonds were probed computationally using the quantum theory of atoms in molecules nd natural localized molecular orbital approaches to investigate the underlying mechanisms and hybrid atomic orbital contributions therein. The analyses indicate that the bonds within Am-1 are predominantly ionic and the 5f shell of the Am 3+ metal centers does not add a significant covalent contribution to the bonds. Further, our bonding assessment is supported by measurements on the optical properties of Am-1 using diffuse reflectance and photoluminescence spectroscopies. The position of the principal absorption band at 507 nm ( 5 L 6' ← 7 F 0' ) is notable because it is consistent with previously reported americium oxalate complexes in solution, indicating similarities in the electronic structure and ionic bonding. Compound Am-1 is an active phosphor, featuring strong bright-blue oxalate-based luminescence with no evidence of metal-centered emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

An infrared study of the remarkable dusty M star HR 3126

HR 3126 is a unique M giant star embedded in the bipolar reflection nebula IC 2220. In this paper we present new photometric and spectroscopic observations of HR 3126 and combine them with existing data from the literature in an extensive reappraisal of the star's properties at infrared wavelengths. The spectral energy distribution is consistent with an optical classification of M0-3 II with infrared excess. The dust shell cannot be fitted by a single-temperature blackbody: at least three components are required, with temperatures in the range 35-1300 K. On the basis of spectroscopy at 1-4 and 7-25 microns, combined with an assessment of various color-color diagrams, we are able to reject the hypothesis that HR 3126 is carbon-rich. Weak silicate emission features are detected at 10 and 19 microns, and a previous report of silicon carbide emission at 11.2 microns is not substantiated. It seems likely that HR 2136 is in a phase of advanced and rapid postmain-sequence evolution, possibly beginning its ascent of the asymptotic giant branch.

Chiar, J. E.↗
NASA NTRS1994

KSPEC-a near-infrared cross-dispersed spectrograph

KSPEC (k-band spectrograph) is an infrared spectrograph designed primarily for spectroscopy in the 2.0-2.5 micrometer region. It offers two different optical configurations. The first is a cross-dispersed echelle mode designed to cover the atmospheric windows from 1-2.5 micrometer in one spectral frame of a 256x256 format on a Near Infrared Camera and Multi-Object Spectrometer-3 (NICMOS-3) HgCdTe detector array. This configuration of the spectrograph provides medium spectral resolution (lambda/delta-lambda approximately = 500) for spectral classification work, emission-line detection, and redshift measurements. Alternatively, KSPEC can be equipped with a different spectrograph camera, giving a long-slit, single-order spectrum from 2.05-2.35 micrometer. The instrument uses a second NICMOS-3 infrared detector array for slit viewing, to facilitate the acquisition of optically invisible objects, to document the slit position, and to monitor it during long spectroscopic integrations. KSPEC does not contain any moving components, making it a very reliable, relatively low-cost instrument that is easy to use.

Hodapp, Klaus-Werner↗
NASA NTRS2006

Comet Mineralogy as Inferred from Infrared Spectra of Comets

For most comets, infrared (IR) spectroscopy (remote sensing) is the method through which we diagnose the mineralogy and size distribution of dust in their comae. The shape and contrast of the IR spectral features depend on the particle size: optically active minerals (absorbing of visible and near-IR solar photons) and submicron solid grains or highly porous (> 90% vacuum) grains primarily contribute to the shapes of the observed resonances. Comet mineralogies typically are determined by fitting thermal emission models of ensembles of discrete mineral grains to observed IR spectral energy distributions. The absorptivities (Q-abs) and scattering efficiencies (Q-scat) of the discrete mineral grains are computed using Mie scattering, Maxwell-Garnet mixing, Discrete Dipole Approximation, and Multi-Layered Sphere codes. These techniques when applied to crystalline minerals, specifically olivine (Mg_x, Fe_1-x)2 Si04, x>0.9, require the use of ellipsoidal shaped particles with elongated axial ratios or hollow spheres to produce the shapes of the resonances observed both from comet comae and laboratory samples. The wavelength positions of the distinct resonances from submicron-radii crystalline silicates, as well as their thermal equilibrium temperatures, constrain the crystalline olivine to have a relatively high Mg-content (x>0.9, or Fo>90). Only resonances computed for submicron Mg-rich crystalline olivine and crystalline orthopyroxene match the observed IR spectral features. However, this has led to the interpretation that micron-radii and larger crystals are absent from comet comae. Furthermore, the mass fraction of silicate crystals is dependent upon whether just the submicron portion of the size distribution is being compared or the submicron crystals compare to the aggregates of porous amorphous silicates that are computationally tractable as porous spheres. We will discuss the Deep Impact results as examples of these challenges to interpreting mid-IR spectra of short-period comets.

Wooden, Diane H.↗
DOE OSTI2021

Refined Telluric Absorption Correction for Low-resolution Ground-based Spectroscopy: Resolution and Radial Velocity Effects in the O{sub 2}A-band for Exoplanets and K i Emission Lines

Telluric correction of spectroscopic observations is either performed via standard stars that are observed close in time and airmass along with the science target, or recently growing in importance, by theoretical telluric absorption modeling. Both approaches work fine when the telluric lines are resolved, i.e., at a spectral resolving power larger than about 10,000, and it is sufficient to facilitate the detection of spectral features at lower resolution. However, a meaningful quantitative analysis also requires the reliable recovery of line strengths. Here, we show for the Fraunhofer A-band of molecular O{sub 2} that the standard telluric correction approach fails in this at lower spectral resolutions, as an example for the general problem. Doppler-shift-dependent errors of the restored flux may arise, which can amount to more than 50% in extreme cases, depending on the line shapes of the target spectral features. Two applications are discussed: the recovery of the O{sub 2} band in the reflected light of an Earth analog atmosphere, as facilitated potentially in the future using an orbiting starshade and a ground-based extremely large telescope; and the recovery of the intrinsic ratio of the K i lines in the post-nova V4332 Sgr tracing the optical depth of the emitting region, to exemplify the relevance using present-day instrumentation. We show how one should derive correction functions for the compensation of the error in dependence of radial velocity shift, spectral resolution, and target line-profile function by use of high-resolution atmospheric transmission modeling, which has to be solved for the individual case.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1999

Optical Fiber Spectroscopy

This is the final report of work done on NASA Grant NAG-1-443. The work covers the period from July 1, 1992 to December 1, 1998. During this period several distinct but related research studies and work tasks were undertaken. These different subjects are enumerated below with a description of the work done on each of them. The focus of the research was the development of optical fibers for use as distributed temperature and stress sensors. The initial concept was to utilize the utilize the temperature and stress dependence of emission from rare earth and transition metal ions substitutionally doped into crystalline or glass fibers. During the course of investigating this it became clear that fiber Bragg gratings provided a alternative for making the desired measurements and there was a shift of research focus on to include the photo-refractive properties of germano-silicate glasses used for most gratings and to the possibility of developing fiber laser sources for an integrated optical sensor in the research effort. During the course of this work several students from Christopher Newport University and other universities participated in this effort. Their names are listed below. Their participation was an important part of their education.

Buoncristiani, A. M.↗
DOE OSTI2020

Above-threshold multiphoton photoemission from noble metal surfaces

Exciting solids with intense femtosecond laser pulses prompts electrons of the interrogated material to respond in a highly nonlinear manner, as is evident in the emission of high-order harmonic radiation and photoelectrons with kinetic energies well above that of the driving photons. Such high-field interactions can be resolved, for example, in above-threshold multiphoton photoemission (ATP) spectroscopy. In this work, we interrogate the nonlinear photoelectric responses of the pristine copper, silver, and gold noble metal surfaces in (111) and (100) crystal orientations in the perturbative regime. Using multiphoton photoemission spectroscopy (mPP) excited by finely tuned optical fields, we characterize enhancement of the mPP and ATP yields from (111) surfaces in selected k||-momentum ranges when the occupied Shockley surface (SS) states are (near-)resonantly coupled by multiphoton transitions to image potential (IP) intermediate states in the excitation process. The ATP signal from the IP states of (111) surfaces is largely defined by their formation through polarization of SS electrons; this observation is contrasted with ATP experiments from the Ag(100) surface, for which the SS becomes an unoccupied resonance and the IP states can only be excited from bands with significantly more bulk character. In addition, based on the optical power and nonlinear order-dependent mPP spectra, we provide evidence for ATP being a one-step, rather than a sequential process, as previously postulated.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1984

Interactions between volume and surface EM waves in layered structures

Using light scattering spectroscopy, the interaction of Surface Plasmon Polariton SPP in silver films on a glass substrate is with the incident radiation and with optical phonons of an external medium in contact with the film. The mean free path and the field strength of SPP are determined. The same SPP plays an important role in light emitting tunnel junctions (LETJ) in which an electrical current is converted into Volume Electromagnetic Wave VEW. The efficiency of light emission from LETJ through a prism coupler rather than through surface roughness is discussed. The coupling between phonon surface polaritons (PhSP) and optical guided waves (OGW) in thin films of GaP is also examined.

Ushioda, S.↗
NASA NTRS1994

Quiescent accretion disks in black hole X-ray novae

We present detailed time-resolved spectroscopy of the Balmer emission lines from two black hole binary systems in quiescence, A0620-00 and Nova Muscae 1991. We find extraordinary similarities between the two systems. There are 30-40 km/s velocity variations of the emission lines over the orbital period, the phases of which are not aligned with the expected phase of the motion of the compact primary. Detailed modeling of both systems is complicated by variable hot spot components, regions of optical thickness, and intermittent excess emission in the blue line wings of the H-alpha lines. Both sources also display low velocities at the outer edge of the accretion disk, implying a large primary Roche lobe and extreme mass ratios. These complications suggest that although simple optically thin, Keplerian alpha-disk models provide a useful parameterization of emission lines from these systems, the straightforward physical models they imply should be treated with great caution.

Orosz, Jerome A.↗
DOE OSTI2024

Data and scripts associated with: “Burn severity and vegetation type control phosphorus concentration, molecular composition, and mobilization”

This data package is associated with the publication “Burn severity and vegetation type control phosphorus concentration, molecular composition, and mobilization” published in European Geophysical Union - Biogeosciences (Barnes et al. 2025). This study investigates how phosphorus (P) biogeochemistry is altered by burn severity in contrasting types of vegetation chars. This data package documents the workflow used to process and generate the main figures and statistics in the manuscript. The R scripts reference minimally processed P nuclear magnetic resonance (P-NMR) and X-ray absorption near edge structure (P-XANES) data, as well as fully processed data including total elemental composition of the solid chars, total elemental composition of the char leachates (particulate and aqueous phases), and leachate aqueous phase molybdate reactive P concentration. These source data and associated metadata can be found on ESS-DIVE at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1894135 (Grieger et al. 2022; v3). Files and scripts included in this data package finish the processing workflow for P-NMR and P-XANES data. These data can be used to gain a better understanding of bulk chemical changes in chars and their leachates, as well as detailed molecular changes to P. This data package is associated with the GitHub repository found at https://github.com/river-corridors-sfa/rcsfa-RC3-BSLE_P. This data package is comprised of a “data” folder and a series of data processing and analysis scripts. Details on how to recreate the workflow can be found in the Critical Details section of the readme and the “workflow_readme.md” file. The file-level metadata file (file ending in “flmd.csv”) lists all files contained in this data package and descriptions for each. The data dictionary (file ending in “dd.csv”) describes all tabular data columns and their respective definitions and units.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Terahertz technology and applications

Despite great scientific interest since at least the 1920's, the THz frequency range remains on e of the least tapped regions of the electromagnetic spectrum. Sandwiched between traditional microwave and optical technologies where there is a limited atmospheric propagation path, little commercial emphasis has been placed on THz systems. This has, perhaps fortunately, preserved some unique science and applications for tomorrow's technologies. For over 25 years the sole niche for THz technology has been in the high resolution spectroscopy and remote sensing areas where heterodyne and Fourier transform techniques have allowed astronomers, chemists, Earth, planetary and space scientists to measure, catalog and map thermal emission lines for a wide variety of lightweight molecules. As it turns out, no where else in the electromagnetic spectrum do we receive so much information about these chemical species. In fact, the universe is bathed in THz energy, most of it going unnoticed and undetected.

THz electromagnetic spectrum↗
NASA NTRS2020

Imagery and UV Spectroscopy of the LMC Supernova Remnant N103B Using HST

We present Hubble Space Telescope(HST)/Wide Field Camera 3 multiband imagery of N103B, which is the remnant of a SN Ia in the Large Magellanic Cloud, as well as HST/Cosmic Origins Spectrograph(COS)ultraviolet spectroscopy of the brightest radiatively shocked region. The images show a wide range of morphology and relative emission-line intensities, from smooth Balmer-line dominated collisionless shocks that are due to the primary blast wave to clumpy radiative shock filaments that are due to secondary shocks in density enhancements. The COS data show strong FUV line emissions, despite a moderately high extinction along this line of sight. We use the COS data with previous optical spectra to constrain the shock conditions, we refine the abundance analysis, and we find abundances that are typical of the local interstellar medium within the uncertainties. Under an assumption that the material being shocked was shed from the pre-supernova system, this finding places constraints on any significant enrichment in that material, and thus on the non-degenerate star in what was presumably a single-degenerate SN Ia.

William P. Blair↗
NASA NTRS1994

Steps toward determination of the size and structure of the broad-line region in active nuclei. 7: Variability of the optical spectrum of NGC 5548 over years

We report on the results of a continuation of a large monitoring program of optical spectroscopy of the Seyfert 1 galaxy NGC 5548. The new observations presented here were obtained between 1990 December and 1992 October, and extend the existing database to nearly 1400 days, dating back to 1988 December. The continuum variations are generally smooth and well-resolved, except during the third year of this 4 year project, when the variations were apparently more rapid and of lower amplitude than observed at other times. The broad H(beta) emission line is found to vary in response to the continuum variations with a lag of about 18 days, but with some changes from year to year. The H(beta) transfer functions for each of the 4 yr and for the entire 4 yr database are derived by using a maximum entropy method.

Peterson, B. M.↗
NASA NTRS1993

High-resolution X-ray spectroscopy of the supernova remnant N132D

A joint nonequilibrium ionization analysis of spectral data from the Einstein Observatory of the SNR N132D in the LMC is presented on the basis of data from the Focal Plane Crystal Spectrometer (FPCS) and the Solid State Spectrometer (SSS), and lower spectral resolution data from the IPC and the Monitor Proportional Counter (MPC). The FPCS detected individual emission lines of O VII, O VIII, Ne IX, Ne X, Fe XVII, and possibly Fe XX. Measured line widths for the oxygen lines suggest Doppler broadening that is roughly consistent with optically measured expansion velocities of 2250 km/s. At the SSS/IPC temperature, FPCS flux ratios constrain the O/Fe abundance to be at least 1.9 times its solar value and the O/Ne abundance to be 0.2-1.0 times its solar value. Models for remnants with progenitor masses of 20 and 25 solar masses are completely consistent with the data, while remnants with progenitor masses of 13 and 15 solar masses can be made consistent if the progenitors are required to eject a large fraction of their iron cores.

Hwang, Una↗
NASA NTRS2004

RXTE, Chandra, and XMM Spectroscopy of the Fe-K Lines and Compton Reflection in Type 1 AGN

This award pertains to an RXTE observation of the Seyfert 1 galaxy Akn 120. The purpose of the observation was to measure the Fe-K emission line and the Compton reflection continuum with RXTE, simultaneously with Chandra and XMM. Such measurements can severely constrain accretion disk models of the central engine since the Fe-K line emission and Compton reflection are intimately related in terms of the physics of X-ray reprocessing in optically-thick matter. Akn 120 was selected for this study because it is amongst the brightest AGN in its class and has a particularly strong and apparently broad Fe-K emission line. The results could then also be used to lay the ground work for even higher resolution studies with Astro-E2. Unfortunately, the Chandra observation was not performed but a contemporaneous XMM observation was performed by another group of researchers. Those data recently became public and can be compared with the RXTE data. In addition, non-contemporaneous observations with other missions do still provide additional important constraints (for example any non-varying line or continuum emission components can be established and used to reject or preserve various model scenarios). We analyzed the RXTE data and found a strong Fe-K emission line (resolved even with the poor resolution of RXTE), and a strong Compton-reflection continuum (see Fig. l(a)). We found that the results of archival ASCA data on Akn 120 had not been published in the literature so we analyzed the ASCA data too, in order to compare with the new RXTE data. Fig. l(b) shows that the ASCA data also reveal a strong, broad FeK emission line (but the data are not sensitive to the Compton-reflection continuum). We compared our spectral fitting results for the RXTE and ASCA data with the results from XMM and from previous RXTE observations.

Yaqoob, Tahir↗
DOE OSTI2025

Exploring Cs 2 AgIn x Bi 1− x Cl 6 double perovskites for optoelectronics: insights from theoretical and photophysical approaches

Lead-free halide double perovskites (HDPs) have become attractive materials for optoelectronic applications owing to their nontoxicity, structural stability, and germane photoelectric properties. In this work, we report the synthesis of high-quality In-alloyed Cs 2 AgIn x Bi (1−x) Cl 6 nanocrystals (NCs) using the antisolvent recrystallization method and comprehensively investigate the effects of In alloying on the structural, morphological, optoelectronic, and temperature-dependent photoluminescence (TDPL) properties using the state-of-the-art experimental and computational tools. Both XRD and Raman spectroscopy analyses confirmed the synthesis of highly crystalline Cs 2 AgIn x Bi (1−x) Cl 6 materials, which exhibited cubic morphology, as confirmed by TEM analysis. Room-temperature photoluminescence (PL) measurements revealed a drastic increase in the intensity above 75% In concentration with dual emission, whereas the time-resolved PL (TR-PL) results show an increase in the average lifetime values with an increase in In content, suggesting that the materials have excellent optical properties and hence are suitable candidates for optoelectronics. The TDPL measurements revealed the smallest Huang–Rhys factor (18.6) for the Cs 2 AgIn x Bi (1−x) Cl 6 (x = 0.9) sample, indicating weak exciton–phonon coupling in this composition. When deployed in the fabrication of a photodetector device, the Cs 2 AgIn x Bi (1−x) Cl 6 (x = 0.9) sample exhibited significantly enhanced photoresponsivity and a faster response time, confirming its potential for photodetector applications. Complementary DFT calculations showed that In alloying modifies the band structure of Cs 2 AgIn x Bi (1−x) Cl 6 . Our results provide valuable insights for designing multifunctional Cs 2 AgIn x Bi (1−x) Cl 6 -based materials for next-generation energy and optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2024

Once in a blue stream: Detection of recent star formation in the NGC 7241 stellar stream with MEGARA

Aims.In this work we study the striking case of a narrow blue stream with a possible globular cluster-like progenitor around the NGC 7241 galaxy and its foreground dwarf companion. We want to figure out if the stream was generated by tidal interaction with NGC 7241 or if it first interacted with the foreground dwarf companion and later both fell together toward NGC 7241. Methods.We used four sets of observations, including a follow-up spectroscopic study of this stream based on data taken with the MEGARA instrument at the 10.4 m Gran Telescopio Canarias using the integral field spectroscopy mode, the Mount Lemmon 0.80 m telescope, the Telescopio NazionaleGalileo, the DESI Imaging Legacy surveys, and GALEX archival data. We also used high-resolution zoomed-in cosmological simulations. Results.Our data suggest that the compact object we detected in the stream is a foreground Milky Way halo star. Near this compact object we detect emission lines overlapping a less compact, bluer, and fainter blob of the stream that is clearly visible in both ultraviolet and optical deep images. From its heliocentric systemic radial velocity derived from the [O III]λ5007 Å lines (V syst = 1548.58 ± 1.80 km s −1 ) and new UV and optical broadband photometry, we conclude that this overdensity could be the actual core of the stream, with an absolute magnitude ofM g ∼ −10 and ag − r = 0.08 ± 0.11, consistent with a remnant of a low-mass dwarf satellite undergoing a current episode of star formation. From the width of the stream and assuming a circular orbit, we calculate that the progenitor mass can be typical of a dwarf galaxy, but it could also be substantially lower if the stream is on a very radial orbit or if it was created by tidal interaction with the companion dwarf instead of with NGC 7241. These estimates also suggest that this is one of the lowest mass streams detected to date beyond the Local Group. Finally, we find that blue stellar streams containing star formation regions are commonly predicted by high-resolution cosmological simulations of galaxies lighter than the Milky Way. This scenario is consistent with the processes explaining the bursty star formation history of some dwarf satellites, which are followed by a gas depletion and a fast quenching once they enter within the virial radius of their host galaxies for the first time. Thus, it is likely that the stream’s progenitor is undergoing a star formation burst comparable to those that have shaped the star formation history of several Local Group dwarfs in the last few gigayears.

Astronomy & Astrophysics↗
NASA NTRS1993

Discovery of new objects in the Orion nebula on HST images - Shocks, compact sources, and protoplanetary disks

We have reduced and analyzed a set of narrow-band HST images of a portion of M42 south of the Trapezium. Many new emission-line sources were found, some quite long but so narrow that they are not seen on ground-based images. These include thin shells which are high-ionization shocks. The structure around Orion HH 3 is resolved into multiple components. Slit spectroscopy data establish the high expansion velocities of all these regions. The other objects seen are compact sources. Although some had been detected in VLA surveys and several had been seen from the ground optically, the new images show previously undetected structure and clearly establish that most are protoplanetary disks, which are neutral disks surrounding low-mass pre-main-sequence stars and are ionized from the outside by Theta sup 1 C and Theta sup 2 A Ori.

O'Dell, C. R.↗