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The Origin, Composition and History of Comets from Spectroscopic Studies

A wealth of information essential to understanding the composition and physical structure of cometary ice and hence gain deep insight into the comet's origin and history, can be gleaned by carrying out a full range of spectroscopic studies on the returned sample. These studies ought to be among the first performed as they are generally non-destructive and will provide a broad data bank which will be crucial in planning subsequent analysis. Examples of the spectroscopic techniques along with relative sensitivities and transitions probed, are discussed. Different kind of "spectroscopy" is summarized, with emphasis placed on the kind of information each provides. Infrared spectroscopy should be the premier method of analysis as the mid-IR absorption spectrum of a substance contains more global information about the identity and structure of that material than any other property. In fact, the greatest strides in our understanding of the composition of interstellar ices (thought by many to be the primordial material from which comets have formed) have been taken during the past ten years or so because this was when high quality infrared spectra of the interstellar medium (ISM) first became available. The interpretation of the infrared spectra of mixtures, such as expected in comets, is often (not always) ambiguous. Consequently, a full range of other non-destructive, complementary spectroscopic measurements are required to fully characterize the material, to probe for substances for which the IR is not well suited and to lay the groundwork for future analysis. Given the likelihood that the icy component (including some of the organic and mineral phases) of the returned sample will be exceedingly complex, these techniques must be intensely developed over the next decade and then made ready to apply flawlessly to what will certainly be one of the most precious, and most challenging, samples ever analyzed.

Allamandola, L. J.↗

The STIS CCD Spectroscopic Line Spread Functions

We characterize the spectroscopic line spread functions of the spectroscopic CCD modes for high contrast objects. Our long range goal is to develop tools that accurately extract spectroscopic information of faint, point or extended sources in the vicinity of bright, point sources at separations approaching the realizable angular limits of HST with STIS. Diffracted and scattered light due to the HST optics, and scattered light effects within the STIS are addressed. Filter fringing, CCD fringing, window reflections, and scattering within the detector and other effects are noted. We have obtained spectra of several reference stars, used for flux calibration or for coronagraphic standards, that have spectral distributions ranging from very red to very blue. Spectra of each star were recorded with the star in the aperture and with the star blocked by either the F1 or F2 fiducial. Plots of the detected starlight along the spatial axis of the aperture are provided for four stars. With the star in the aperture, the line spread function is quite noticeable. Placing the star behind one of the fiducials cuts the scattered light and the diffracted light, is detectable even out to 1OOOOA. When the star is placed behind either fiducial, the scattered and diffracted light components, at three arcseconds displacement from the star, are below lop6 the peak of the star at wavelengths below 6000A; at the same angular distance, scattered light does contaminate the background longward of 6000A up to a level of 10(exp -5).

Gull, T.↗

A Complex Two Dimensional Spectroscopic Database: The HST Treasury Archive for Eta Carinae

The HST Treasury Program on eta Carinae produced one of the most complex and ambitious spectroscopic datasets obtained with the Hubble Space Telescope. The archival database includes the STIS/CCD and MAMA data during its recent spectroscopic event in 2003, plus all of the STIS observations of the object and its ejecta obtained during its spectroscopic cycle beginning in 1998. The database permits users to query via instrument, target, date, wavelength range, position angle, and position and allows the user to display the spectrum and download it in fits format. We have also developed software for ease of extraction and display and analysis. The user can go from an initial query to doing science in only 20 minutes! A demonstration of the database and software will be available at the poster.

Humphreys, R. M.↗

Emission-line Galaxies from the Hubble Space Telescope Probing Evolution and Reionization Spectroscopically (Pears) Grism Survey. II. The Complete Sample

We present a full analysis of the Probing Evolution And Reionization Spectroscopically (PEARS) slitess grism spectroscopic data obtained with the Advanced Camera for Surveys on board Hubble Space Telescope. PEARS covers fields within both the Great Observatories Origins Deep Survey (GOODS) North and South fields, making it ideal as a random survey of galaxies, as well as the availability of a wide variety of ancillary observations complemented by the spectroscopic results. Using the PEARS data, we are able to identify star-forming galaxies (SFGs) within the redshift volume 0 < z < 1.5. Star-forming regions in the PEARS survey are pinpointed independently of the host galaxy. This method allows us to detect the presence of multiple emission-line regions (ELRs) within a single galaxy. We identified a total of 1162 Hα, [O III], and/or [O II] emission lines in the PEARS sample of 906 galaxies to a limiting flux of ~10 -18(exp) erg s -1(exp) cm -2(exp). The ELRs have also been compared to the properties of the host galaxy, including morphology, luminosity, and mass. From this analysis, we find three key results: (1) the computed line luminosities show evidence of a flattening in the luminosity function with increasing redshift; (2) the star-forming systems show evidence of complex morphologies with star formation occurring predominantly within one effective (half-light) radius. However, the morphologies show no correlation with host stellar mass. (3) Also, the number density of SFGs with M * ≥ 10 9(exp) M ☉ decreases by an order of magnitude at z ≤ 0.5 relative to the number at 0.5 < z < 0.9, supporting the argument of galaxy downsizing.

Hubble↗

Texas Spectroscopic Search for Lyα Emission at the End of Reionization. III. The Lyα Equivalent-width Distribution and Ionized Structures at z > 7

Lyα emission from galaxies can be utilized to characterize the ionization state in the intergalactic medium (IGM). We report our search for Lyα emission at z > 7 using a comprehensive Keck/MOSFIRE near-infrared spectroscopic data set, as part of the Texas Spectroscopic Search for Lyα Emission at the End of Reionization Survey. We analyze data from 10 nights of MOSFIRE observations which together target 72 high-z candidate galaxies in the GOODS-N field, all with deep exposure times of 4.5–19 hr. Utilizing an improved automated emission-line search, we report 10 Lyα emission lines detected (>4σ) at z > 7, significantly increasing the spectroscopically confirmed sample. Our sample includes large equivalent-width (EW) Lyα emitters (>50 Å), and additional tentative Lyα emission lines detected at 3σ–4σ from five additional galaxies. We constrain the Lyα EW distribution at z ~ 7.6, finding a significant drop from z ≲ 6, suggesting an increasing fraction of neutral hydrogen (H I) in the IGM in this epoch. We estimate the Lyα transmission through the IGM (=EW(z)~7.6/EW(z~2–6)) and infer an IGM H I fraction (X(HI)) of 49 (+19,-19)% at z ~ 7.6, which is lower in modest tension (>1σ) with recent measurements at z ~ 7.6. The spatial distribution of the detected Lyα emitters implies the presence of a potential highly ionized region at z ~ 7.55, which hosts four Lyα emitters within a ∼40 cMpc spatial separation. The prominence of this ionized region in our data set could explain our lower inferred value of X(HI), though our analysis is also sensitive to the chosen reference Lyα EW distribution values and reionization models.

Intae Jung↗

Highly Accurate Quartic Force Field and Rovibrational Spectroscopic Constants for the Azirinyl Cation (c-C2NH2+) and Its Isomers

Azirinyl cation is an aromatic cyclic molecule that is isoelectronic with cyclopropenylidene, c-C3H2, and c-C3H3+. Cyclopropenylidene has been shown to be ubiquitous, existing in many different astrophysical environments. Given the similar chemistry between C and N, and the relative abundances between C and N in astrophysical environments, it is expected that there should be aromatic ringed molecules that incorporate N in the ring, but as yet, no such molecule has been identified. To address this issue, the present study uses high levels of electronic structure theory to compute a highly accurate quartic force field (QFF) for azirinyl cation and its two lowest lying isomers, the cyanomethyl and isocyanomethyl cations. The theoretical approach uses the singles and doubles coupled-cluster method that includes a perturbative correction for connected triple excitations, CCSD(T), together with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core-correlation. The QFF is then used in a second order vibrational perturbation theory analysis (VPT2) to compute the fundamental vibrational frequencies and rovibrational spectroscopic constants for all three C2NH2+ isomers. The reliability of the VPT2 vibrational frequencies is tested by comparison to vibrational configuration interaction (VCI) calculations and excellent agreement is found between the two approaches. Fundamental vibrational frequencies and rovibrational spectroscopic constants for all singly substituted 13C, 15N, and D isotopologues are also reported. It is expected that the highly accurate spectroscopic data reported herein will be useful in the identification of these cations in high resolution experimental or astronomical observations.

Partha P Bera↗

A DECADE of dwarfs: first detection of weak lensing around spectroscopically confirmed low-mass galaxies

We present the first detection of weak gravitational lensing around spectroscopically confirmed dwarf galaxies, using the large overlap between DESI DR1 spectroscopic data and DECADE/DES weak lensing catalogs. A clean dwarf galaxy sample with well-defined redshift and stellar mass cuts enables excess surface mass density measurements in two stellar mass bins ($\log \rm{M}_*=[8.2, 9.2]~M_\odot$ and $\log \rm{M}_*=[9.2, 10.2]~M_\odot$), with signal-to-noise ratios of $5.6$ and $12.4$ respectively. This signal-to-noise drops to $4.5$ and $9.2$ respectively for measurements without applying individual inverse probability (IIP) weights, which mitigates fiber incompleteness from DESI's targeting. The measurements are robust against variations in stellar mass estimates, photometric shredding, and lensing calibration systematics. Using a simulation-based modeling framework with stellar mass function priors, we constrain the stellar mass-halo mass relation and find a satellite fraction of $\simeq 0.3$, which is higher than previous photometric studies but $1.5σ$ lower than $Λ$CDM predictions. We find that IIP weights have a significant impact on lensing measurements and can change the inferred $f_{\rm{sat}}$ by a factor of two, highlighting the need for accurate fiber incompleteness corrections for dwarf galaxy samples. Our results open a new observational window into the galaxy-halo connection at low masses, showing that future massively multiplexed spectroscopic observations and weak lensing data will enable stringent tests of galaxy formation models and $Λ$CDM predictions.

To, Chun-Hao [Chicago U., Astron. Astrophys. Ctr.;↗

Galaxy Evolution Spectroscopic Explorer (GESE): Science Rationale, Optical Design, and Telescope Architecture

One of the key goals of NASA’s astrophysics program is to answer the question: How did galaxies evolve into the spiral, elliptical, and irregular galaxies that we see today? We describe a space mission concept called Galaxy Evolution Spectroscopic Explorer (GESE) to help address this question by making a large ultraviolet spectroscopic survey of galaxies at a redshift, z approximately 1 (look-back time of approximately 8 billion years). GESE is a 1.5-m space telescope with an near-ultraviolet (NUV) multi-object slit spectrograph covering the spectral range, 0.2-0.4 micrometers (0.1-0.2 micrometers as emitted by galaxies at a redshift, z approximately 1) at a spectral resolution of delta lambda=6 A.

elliptical↗

The HITRAN2016 Molecular Spectroscopic Database

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

HITRAN↗

Gallium oxide semiconductor-based large volume ultrafast radiation hard spectroscopic scintillators

We report on the development of the first-ever inorganic radiation-hard moisture-insensitive large volume spectroscopic semiconductor-based scintillator with less than 2 ns decay time and light yields as high as 8000 ph/MeV. Despite extensive research into scintillator materials, the quest for an ideal scintillator combining ultrafast decay times (akin to BaF 2 and Yb-doped scintillators such as Lu 2 O 3 :Yb), high light yields (exceeding 2000 photons per MeV), spectroscopic capabilities, and exceptional radiation hardness remain unfulfilled. In this study, we demonstrate and report for the first time the viability of large-volume (up to 20 mm thickness) gallium oxide (β-Ga 2 O 3 ) semiconductor-based scintillators for applications requiring these properties. These β-Ga 2 O 3 scintillators were grown using the fast turnaround (~2 days) crucible-free optical float zone (FZ) technique. The high light yield and ultrafast decay time of these high-purity n-type semiconductors with free carrier concentration of 6 × 10 17 cm –3 are attributed to native defects, specifically oxygen vacancies (V O ) and gallium–oxygen vacancy pairs (V Ga –V O ), generated during optimized FZ growth. The ultrafast decay, along with high light yield, enables excellent timing resolution and high count rate detection for applications like time-of-flight positron emission tomography, physics experiments, and nuclear safety. The radiation hardness of these devices has been documented in a separate publication.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Influence of particle size on NIR spectroscopic characterization of sorghum biomass for the biofuel industry

NIR spectroscopy is a rapid and accurate green technology for high-throughput biomass characterization, including sorghum (Sorghum bicolor), a promising energy crop for the biofuel industry. This study assessed the influence of particle size on NIR spectroscopic analysis (wavelength range: 867–2535 nm) of sorghum biomass composition. Grown under field conditions, a total of 113 types of genetically diverse sorghum accessions were dried, ground, and sieved (<250, 250–600, 600–850, and > 850 µm particle size) for developing partial least square regression (PLSR) prediction models for moisture, ash, extractive, glucan, xylan, acid-soluble lignin (ASL), acid-insoluble lignin (AIL), and total lignin (ASL + AIL). Overall, smaller particle sizes provided better model performance, while no single particle size provided the best performance for all the selected components. With only 9 selected bands and 4 latent variables (LVs), the best PLSR model was obtained for moisture with particle size of 600–850 µm with the square root of the coefficient of determination (R) of 0.85, the ratio of prediction to deviation (RPD) of 2.2, and the root mean square error (RMSE) of 0.46 % in external validation. Similar model performances were also obtained for ash, extractive, glucan, and xylan. This study showed that size reduction could effectively improve NIR spectroscopic analysis for lipid-producing sorghum biomass for the biofuel industry.

09 BIOMASS FUELS↗

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Similar but Different: Structural and Spectroscopic Characterization of Series of Neodymium, Europium, Americium, and Curium Coordination Complexes

Series of curium, americium, europium, and neodymium complexes with five different polyoxometalate (POM) ligands were structurally and spectroscopically characterized: Na x Cs y H z [M(XW 11 O 39 ) 2 ]· n H 2 O, where M = Nd 3+ , Eu 3+ , Am 3+ , or Cm 3+ and X = B 3+ , Ga 3+ , Si 4+ , Ge 4+ , or P 5+ . This first “serial approach” on transplutonium chemistry was allowed by minimizing the amount of f-element needed per synthesis down to ∼10 μg. This offers a unique opportunity to contrast structural and spectroscopic properties of trivalent actinide with those of lanthanide compounds under identical conditions. The results showcase that although actinide(III) and lanthanide(III) can make isostructural complexes, their solid-state coordination chemistries deviate significantly. The curium and americium compounds were found to be more uniform than their europium and neodymium counterparts, respectively. The particular symmetry of the Cm-POMs also enables the observation of rarely seen emission bands, which hints at vibronic coupling or new emissive pathways. Additionally, the Cm-POM and Eu-POM complexes were characterized via steady-state and time-resolved excitation and emission spectroscopy in solutions containing five different counterions (Li + , Na + , K + , Rb + , or Cs + ), representing 50 combinations of alkali/[M III (XW 11 ) 2 ] n − complexes. The Cm-POMs respond to the alkali counterions by improving symmetry from Li + to Cs + , while the Eu-POMs do the opposite. The luminescence lifetimes of the Cm-POMs also depart from the ideal Kimura equation. Finally, this study provides a rare, and perhaps the most comprehensive, experimental data set comparing heavy actinides and lanthanides via single crystal XRD plus, solution-state, solid-state, and time-resolved emission spectroscopy and demonstrates that lanthanides are only a coarse approximation for actinide elements.

chemical structure↗

Cepheids with giant companions: II. Spectroscopic confirmation of nine new double-lined binary systems composed of two Cepheids

Context.Binary Cepheids with giant companions are crucial for studying the physical properties of Cepheid variables, in particular providing the best means to measure their masses. Systems composed of two Cepheids are even more important, but to date, only one such system has been identified, in the Large Magellanic Cloud (LMC). Aims.Our current aim is to increase the number of these systems known tenfold and to provide their basic characteristics. The final goal is to obtain the physical properties of the component Cepheids, including their masses and radii, and to learn about their evolution in the multiple systems, also revealing their origin. Methods.We started a spectroscopic monitoring campaign of nine unresolved pairs of Cepheids from the OGLE catalog to check if they are gravitationally bound. Two of these so-called double Cepheids are located in the LMC, five are in the Small Magellanic Cloud (SMC), and two are in the Milky Way (MW). Results.We report a spectroscopic detection of the binarity of all nine of these double Cepheids with orbital periods ranging from 2 to 18 years. This increases the number of known binary double (BIND) Cepheids from 1 to 10 and triples the number of all confirmed double-lined binary (SB2) Cepheids. For five BIND Cepheids, the disentangled pulsational light curves of the components show anti-correlated phase shifts due to orbital motion. We show the first empirical evidence that typical period–luminosity relations (PLRs) are rather binary Cepheid PLRs, as they include light of the companion. Conclusions.The statistics of pulsation period ratios of BIND Cepheids do not agree with those expected for pairs of Cepheids of the same age. These ratios together with the determined mass ratios far from unity suggest a merger origin of at least one component for about half of the systems. The SMC and MW objects are the first found in SB2 systems composed of giants in their host galaxies. The Milky Way BIND Cepheids are also the closest such systems, being located at about 11 and 26 kpc.

Astronomy & Astrophysics↗

Challenges in the study of chemistry and photochemistry at air–water interfaces: Toward in situ monitoring of reaction kinetics with spectroscopic techniques

Air–water interfaces, including those on droplet surfaces, have been the subject of many recent experiments due to their propensity for unique chemistry. Here, in this study, an overview of some recent advancements in understanding interfacial reaction kinetics is provided, highlighting non-surface-specific methods—such as mass spectrometry—compared with the advantages of surface-specific techniques—such as reflection–absorption spectroscopy, sum frequency generation, and photoelectron spectroscopy. This Perspective discusses the information depth and time constraints of common surface-specific spectroscopic methods that need to be addressed to monitor interfacial chemistry in situ and uses a few key examples from the literature as case studies. It concludes by advocating for the continued development of advanced spectroscopic methods to further investigate interfacial chemistry, underscoring the need for interdisciplinary collaboration to bridge the gap between molecular-level insights and macroscopic observations in future research.

Air-water interface↗

Spectroscopic evidence of spin-state excitation in d-electron correlated semiconductor FeSb 2

Iron antimonide (FeSb 2 ) has been investigated for decades due to its puzzling electronic properties. It undergoes the temperature-controlled transition from an insulator to an ill-defined metal, with a cross-over from diamagnetism to paramagnetism. Extensive efforts have been made to uncover the underlying mechanism, but a consensus has yet to be reached. While macroscopic transport and magnetic measurements can be explained by different theoretical proposals, the essential spectroscopic evidence required to distinguish the physical origin is missing. In this paper, through the use of X-ray absorption spectroscopy and atomic multiplet simulations, we have observed the mixed spin states of 3d 6 configuration in FeSb 2 . Furthermore, we reveal that the enhancement of the conductivity, whether induced by temperature or doping, is characterized by populating the high-spin state from the low-spin state. Our work constitutes vital spectroscopic evidence that the electrical/magnetical transition in FeSb 2 is directly associated with the spin-state excitation.

74 ATOMIC AND MOLECULAR PHYSICS↗

DESI2024: Dark Energy Spectroscopic Instrument (DESI) survey, presentation of Year 1 results

The series of papers included in this special issue represent the first cosmological measurements from the Dark Energy Spectroscopic Instrument (DESI). These papers present the validation of the DESI clustering catalogs, the methodology for the cosmology measurements, and the full cosmology implications. These measurements were derived from a catalog of approximately 6.4 million extragalactic sources in a redshift range of 0.1 < z < 4.2. Owing to advances in fiber positioner technology and to a larger telescope, this sample was acquired in only one year of observation, yet is more than double the size of the galaxy and quasar samples from the first four phases of the Sloan Digital Sky Survey (SDSS) that spanned 20 years. With these new galaxy and quasar catalogs, the DESI collaboration completed percent-level constraints on the cosmic expansion history and the growth of structure. In turn, these new measurements provided a new platform from which to test the equation of state of dark energy, the summed mass of the three neutrino mass eigenstates, global curvature, and General Relativity. By surpassing the precision of the previous generation spectroscopic survey, the results in this special issue mark the transition in the field of cosmology to Stage-IV dark energy science.

baryon acoustic oscillations↗

ELG spectroscopic systematics analysis of the DESI Data Release 1

Dark Energy Spectroscopic Instrument (DESI) uses more than 2.4 million Emission Line Galaxies (ELGs) for 3D large-scale structure (LSS) analyses in its Data Release 1 (DR1). Such large statistics enable thorough research on systematic uncertainties. In this study, we focus on spectroscopic systematics of ELGs. The redshift success rate (f goodz ) is the relative fraction of secure redshifts among all measurements. It depends on observing conditions, thus introduces non-cosmological variations to the LSS. We, therefore, develop the redshift failure weight (w zfail ) and a per-fibre correction (η zfail ) to mitigate these dependences. They have minor influences on the galaxy clustering. For ELGs with a secure redshift, there are two subtypes of systematics: 1) catastrophics (large) that only occur in a few samples; 2) redshift uncertainty (small) that exists for all samples. The catastrophics represent 0.26% of the total DR1 ELGs, composed of the confusion between [O ii] and sky residuals, double objects, total catastrophics and others. We simulate the realistic 0.26% catastrophics of DR1 ELGs, the hypothetical 1% catastrophics, and the truncation of the contaminated 1.31 < z < 1.33 in the A BACUS S UMMIT ELG mocks. Their P ℓ show non-negligible bias from the uncontaminated mocks. But their influences on the redshift space distortions (RSD) parameters are smaller than 0.2σ. The redshift uncertainty of DR1 ELGs is 8.5km s -1 with a Lorentzian profile. The code for implementing the catastrophics and redshift uncertainty on mocks can be found in https://github.com/Jiaxi-Yu/modelling_spectro_sys.

79 ASTRONOMY AND ASTROPHYSICS↗