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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Experimental Study and Analysis of Absorption Spectra of Ni{sup 2+} Ions in Nickel Orthoborate Ni{sub 3}(BO{sub 3}){sub 2}

The results of studies of the absorption spectra of nickel orthoborate Ni{sub 3}(BO{sub 3}){sub 2} in the range of electronic d–d-transitions are reported. The obtained data are analyzed in the framework of the crystal field theory. The Ni{sup 2+} ions are located in two crystallographically nonequivalent positions 2a and 4f with point symmetry groups C{sub 2h} and C{sub 2}, respectively, surrounded by six oxygen ions forming deformed octahedra. The absorption spectra exhibit three intense bands corresponding to spin-resolved transitions from the ground state of nickel ion {sup 3}A{sub 2g} ({sup 3}F) to the sublevels of the {sup 3}T{sub 2g} ({sup 3}F), {sup 3}T{sub 1g} ({sup 3}F) and {sup 3}T{sub 1g} ({sup 3}P) triplets split by the spinorbit interaction and the rhombic component of the crystal field. At temperatures below 100 K, the spectra exhibit a thin structure, in which phonon-free lines can be distinguished. Comparison of the calculated frequencies of the zero-phonon transitions with the experimental data allows estimating parameters of the crystal field acting on the nickel ions in the 2a- and 4f-positions, as well as the parameters of electrostatic interaction between the 3d electrons and spin-orbit interaction constants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Intraband Radiation Absorption by Free Holes in GaAs/InGaAs Quantum Wells with Allowance for Nonsphericity of the kP Hamiltonian

A system of Kane’s equations has been derived and solved with allowance for elastic stresses and nonsphericity of the kP Hamiltonian. On this basis, analytic expressions for the energy spectra of charge carriers have been obtained and calculations of the optical absorption coefficient for heavy holes with transition to a spin-orbit-split hole band in GaAs/InGaAs quantum wells (QWs) have been performed for various polarization directions of the incident radiation. It is established that the maximum absorption in GaAs/InGaAs heterostructure takes place at a QW width of 4–6 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Comparison of excitation and kinetic temperatures in a laser-produced plasma using absorption spectroscopy

High-resolution tunable laser absorption spectroscopy is used to measure time-resolved absorption spectra for six neutral uranium transitions in a laser-produced plasma. Here analysis of the spectra shows that kinetic temperatures are similar for all six transitions, but excitation temperatures are higher than kinetic temperatures from 10–100 μs, indicating departures from local thermodynamic equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Coupled surface plasmon–phonon polariton nanocavity arrays for enhanced mid-infrared absorption

Abstract Resonant optical cavities are essential components in mid-infrared applications. However, typical film-type cavities require multilayer stacks with a micron-thick spacer due to mid-infrared wavelengths, and their performance is limited by narrow frequency tunability and angular sensitivity. We propose and experimentally demonstrate the subwavelength-scale (≈ λ 0 /150) resonant nanocavity arrays that enhance the absorption spectrum of the device in the mid-infrared (10–12 microns) via excitation of coupled surface plasmon–phonon polaritons. The proposed metal–insulator–polar dielectric (gold–silicon–silicon carbide) structure supports a guided mode of the coupled surface polaritons in the lateral direction while vertically confining the mid-infrared wave within the 80 nm thick dielectric spacer. In particular, the subwavelength-scale (≈ λ 0 /10) gratings are imposed to form Fabry–Pérot cavity arrays displaying angle-insensitive and frequency-tunable absorption of up to 80% of the optical power in the mid-infrared. Our work should benefit diverse mid-infrared applications and novel designs of polariton-based photonic devices.

42 ENGINEERING↗
DOE OSTI2024

Structural, electronic, and optical-absorption properties of 2D Si thin films

Recent experimental studies highlighted the potential of thin-film crystalline silicon (Si) for high-efficiency solar cells. Using density functional theory, we investigated 2D Si thin films across various orientations, thicknesses, and surface structures to elucidate their structure–property relationships. Through surface-energy calculations and Wulff construction, we determined the crystal habit of Si, which aligns with available experimental observations. Electronic-structure calculations underscored the critical role of valence saturation on surfaces in enabling semiconducting behavior in Si thin films, essential for optical applications. From optical-absorption calculations, we identified the surface index exhibiting the highest absorption coefficients for thin films Si solar cell applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Membrane-based Ionic Liquid Absorption System for Ultra-Efficient Dehumidification and Heating

The project team – comprising the University of Florida (UF), GTI Energy, and Modine Manufacturing – sought to develop a highly efficient heat-powered absorption cycle with combined dehumidification and heat pumping. This DOE-supported project advanced the technology from a TRL of 3 to 6, culminating in the development of a 1,000 CFM system. Key innovations implemented in the system addressed the low efficiency, size, cost, and reliability challenges of conventional absorption cycles. Specifically, the system was enabled by: (1) a semi-open cycle that allowed simultaneous dehumidification and heat recovery, (2) non-crystallizing ionic liquids (ILs) that enabled “double-effect” operation at elevated temperatures without the need for costly control equipment, (3) a compact membrane-based absorber that confined the IL and directly cooled it to achieve low dew points, and (4) a novel, highly integrated desorber–condenser assembly that reduced size, weight, and cost. The technology was developed with commercial HVAC applications in mind, particularly for separate sensible and latent cooling (SSLC), an innovation aimed at achieving independent and more efficient humidity control.

42 ENGINEERING↗
DOE OSTI2019

Enhancing Absorption Bandwidth through Vertically Oriented Metamaterials

Metamaterials research has developed perfect absorbers from microwave to optical frequencies, mainly featuring planar metamaterials, also referred to as metasurfaces. In this study, we investigated vertically oriented metamaterials, which make use of the entire three-dimensional space, as a new avenue to widen the spectral absorption band in the infrared regime between 20 and 40 THz. Vertically oriented metamaterials, such as those simulated in this work, can be experimentally realized through membrane projection lithography, which allows a single unit cell to be decorated with multiple resonators by exploiting the vertical dimension. In particular, we analyzed the cases of a unit cell containing a single vertical split-ring resonator (VSRR), a single planar split-ring resonator (PSRR), and both a VSRR and PSRR to explore intra-cell coupling between resonators. We show that the additional degrees of freedom enabled by placing multiple resonators in a unit cell lead to novel ways of achieving omnidirectional super absorption. Our results provide an innovative approach for controlling and designing engineered nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Process Intensification Approach for CO 2 Absorption Using Amino Acid Solutions and a Guanidine Compound

Environmentally friendly amino-acid salt solutions are used for the absorption of carbon dioxide from concentrated flue-gas streams via chemical absorption. Process intensification reduces operating and capital costs by combining chemical reactions and separation operations. Here, we present a new process-intensification approach that combines the CO 2 capture and the amino-acid regeneration steps into a single process carried out in a slurry three-phase reactor. The absorbed CO 2 precipitates as a solid carbonated guanidine compound. The cycle is completed by separation of the solid precipitate to strip the CO 2 and regenerate the guanidine compound, while the liquid solution is recycled to the slurry reactor. The process was studied by modifying a model developed by the authors for a gas-liquid bubble column without the presence of the guanidine compound. The guanidine precipitation reaction was accounted for using kinetic parameters calculated by the authors in another study. The proposed model was implemented by modifying an existing computer code used for the simulation of gas-liquid bubble columns. The calculated results showed that the proposed cycle can significantly reduce energy, equipment, and operating costs and can make an important contribution to developing a competitive cost-effective large-scale process for CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Uranium (VI) Adsorbate Structures on Portlandite [Ca(OH)2] Type Surfaces Determined by Computational Modelling and X-ray Absorption Spectroscopy

Portlandite [Ca(OH) 2 ] is a potentially dominant solid phase in the high pH fluids expected within the cementitious engineered barriers of Geological Disposal Facilities (GDF). This study combined X-ray Absorption Spectroscopy with computational modelling in order to provide atomic-scale data which improves our understanding of how a critically important radionuclide (U) will be adsorbed onto this phase under conditions relevant to a GDF environment. Such data are fundamental for predicting radionuclide mass transfer. Surface coordination chemistry and speciation of uranium with portlandite [Ca(OH) 2 ] under alkaline groundwater conditions (ca. pH 12) were determined by both in situ and ex situ grazing incidence extended X-ray absorption fine structure analysis (EXAFS) and by computational modelling at the atomic level. Free energies of sorption of aqueous uranyl hydroxides, [UO 2 (OH) n ] 2–n (n = 0–5) with the (001), (100) and (203) or (101) surfaces of portlandite are predicted from the potential of mean force using classical molecular umbrella sampling simulation methods and the structural interactions are further explored using fully periodic density functional theory computations. Although uranyl is predicted to only weakly adsorb to the (001) and (100) clean surfaces, there should be significantly stronger interactions with the (203/101) surface or at hydroxyl vacancies, both prevalent under groundwater conditions. The uranyl surface complex is typically found to include four equatorially coordinated hydroxyl ligands, forming an inner-sphere sorbate by direct interaction of a uranyl oxygen with surface calcium ions in both the (001) and (203/101) cases. In contrast, on the (100) surface, uranyl is sorbed with its axis more parallel to the surface plane. The EXAFS data are largely consistent with a surface structural layer or film similar to calcium uranate, but also show distinct uranyl characteristics, with the uranyl ion exhibiting the classic dioxygenyl oxygens at 1.8 Å and between four and five equatorial oxygen atoms at distances between 2.28 and 2.35 Å from the central U absorber. These experimental data are wholly consistent with the adsorbate configuration predicted by the computational models. These findings suggest that, under the strongly alkaline conditions of a cementitious backfill engineered barrier, there would be significant uptake of uranyl by portlandite to inhibit the mobility of U(VI) from the near field of a geological disposal facility.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Compressive Response and Energy Absorption of Additively Manufactured Elastomers with Varied Simple Cubic Architectures

Additive manufacturing, and particularly the vat photopolymerization process, enables the fabrication of complex geometries at high resolution and small length scales, making it well-suited for fabricating cellular structures (e.g., foams and lattices). Among these, elastomeric cellular structures are of growing interest due to their tunable compliance and energy dissipation. However, comprehensive data on the compressive behavior of these structures remains limited, especially for investigating the structure-property effects from changing the density and distribution of material within the cellular structure. This study explores how the mechanical response of polyurethane-based simple cubic structures changes when varying volume fraction, unit cell length, and unit cell patterning, which have not been systematically investigated previously in additively manufactured elastomers. Increasing volume fraction from 10% to 50% yielded significant changes in compressive stress–strain performance (decreasing strain at 0.5 MPa by 41.6% and increasing energy absorption density by 3962.5%). Although changing the unit cell length between 2.5 and 7 mm in ~30 mm parts did not result in statistically different stress–strain responses, modifying the configuration of struts of different thicknesses across designs with 30% volume fraction altered the stress–strain behavior (differences of 12.5% in strain at 0.5 MPa and 109.4% for energy absorption density). Power law relationships were developed to understand the interactions between volume fraction, unit cell length, and elastic modulus, and experimental data showed strong fits (R 2 > 0.91). These findings enhance the understanding of how multiple structural design aspects influence the performance of elastomeric cellular materials, providing a foundation for informing strategic design of tailorable materials for diverse mechanical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

GLEAM: Galaxy Line Emission & Absorption Modeling

We present Galaxy Line Emission & Absorption Modeling (gleam), a Python tool for fitting Gaussian models to emission and absorption lines in large samples of 1D extragalactic spectra. gleam is tailored to work well in batch mode without much human interaction. With gleam, users can uniformly process a variety of spectra, including galaxies and active galactic nuclei, in a wide range of instrument setups and signal-to-noise regimes. gleam also takes advantage of multiprocessing capabilities to process spectra in parallel. With the goal of enabling reproducible workflows for its users, gleam employs a small number of input files, including a central, user-friendly configuration in which fitting constraints can be defined for groups of spectra and overrides can be specified for edge cases. For each spectrum, gleam produces a table containing measurements and error bars for the detected spectral lines and continuum and upper limits for nondetections. For visual inspection and publishing, gleam can also produce plots of the data with fitted lines overlaid. In the present paper, we describe gleam’s main features, the necessary inputs, expected outputs, and some example applications, including thorough tests on a large sample of optical/infrared multi-object spectroscopic observations and integral field spectroscopic data. gleam is developed as an open-source project hosted at https://github.com/multiwavelength/gleam and welcomes community contributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Connecting Galactic Outflows and Star Formation: Inferences from Hα Maps and Absorption-line Spectroscopy at 1 ≲ z ≲ 1.5

We investigate the connection between galactic outflows and star formation using two independent data sets covering a sample of 22 galaxies between 1 ≲ z ≲ 1.5. The Hubble Space Telescope WFC3/G141 grism provides low spectral resolution, high spatial resolution spectroscopy yielding Hα emission-line maps from which we measure the spatial extent and strength of star formation. In the rest-frame near-UV, Keck/DEIMOS observes Fe ii and Mg ii interstellar absorption lines, which provide constraints on the intensity and velocity of the outflows. We compare outflow properties from individual and composite spectra with the star formation rate (SFR) and SFR surface density (Σ{sub SFR}), as well as the stellar mass and specific SFR (sSFR). The Fe ii and Mg ii equivalent widths (EWs) increase with both SFR and Σ{sub SFR} at ≳3σ significance, while the composite spectra show larger Fe ii EWs and outflow velocities in galaxies with higher SFR, Σ{sub SFR}, and sSFR. Absorption-line profiles of the composite spectra further indicate that the differences between subsamples are driven by outflows rather than the interstellar medium. While these results are consistent with those of previous studies, the use of Hα images makes them the most direct test of the relationship between star formation and outflows at z > 1 to date. Future facilities such as the James Webb Space Telescope and the upcoming Extremely Large Telescopes will extend these direct, Hα-based studies to lower masses and SFRs, probing galactic feedback across orders of magnitude in galaxy properties and augmenting the correlations we find here.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

X-Ray Insights into the Nature of Quasars with Redshifted Broad Absorption Lines

We present Chandra observations of seven broad absorption line (BAL) quasars at z=0.863--2.516 with redshifted BAL troughs (RSBALs). Five of our seven targets were detected by Chandra in 4–13 ks exposures with ACIS-S. The α{sub ox} values, Δα{sub ox} values, and spectral energy distributions of our targets demonstrate they are all X-ray weak relative to expectations for non-BAL quasars, and the degree of X-ray weakness is consistent with that of appropriately matched BAL quasars generally. Furthermore, our five detected targets show evidence for hard X-ray spectral shapes with a stacked effective power-law photon index of Γ{sub eff}=0.5{sub −0.4}{sup +0.5}. These findings support the presence of heavy X-ray absorption (N{sub H}≈2×10{sup 23} cm{sup −2}) in RSBAL quasars, likely by the shielding gas found to be common in BAL quasars more generally. We use these X-ray measurements to assess models for the nature of RSBAL quasars, finding that a rotationally dominated outflow model is favored while an infall model also remains plausible with some stipulations. The X-ray data disfavor a binary quasar model for RSBAL quasars in general.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Nonlinear Color–Metallicity Relations of Globular Clusters. VII. Nonlinear Absorption-line Index versus Metallicity Relations and Bimodal Index Distributions of NGC 5128 Globular Clusters

Spectroscopy on the globular cluster (GC) system of NGC 5128 revealed bimodality in absorption-line index distributions of its old GCs. GC division is a widely observed and studied phenomenon whose interpretation has depicted host galaxy formation and evolution such that it harbors two distinct metallicity groups. Such a conventional view of GC bimodality has mainly been based on photometry. The recent GC photometric data, however, presented an alternative perspective in which the nonlinear metallicity-to-color transformation is responsible for color bimodality of GC systems. Here we apply the same line of analysis to the spectral indices and examine the absorption-line index versus metallicity relations for the NGC 5128 GC system. NGC 5128 GCs display nonlinearity in the metallicity-index planes, most prominently for the Balmer lines and by a non-negligible degree for the metallicity-sensitive magnesium line. We demonstrate that the observed spectroscopic division of NGC 5128 GCs can be caused by the nonlinear nature of the metallicity-to-index conversions and thus one does not need to resort to two separate GC subgroups. Our analysis incorporating this nonlinearity provides a new perspective on the structure of NGC 5128's GC system, and a further piece to the global picture of the formation of GC systems and their host galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Signatures of Hot Molecular Hydrogen Absorption from Protoplanetary Disks. I. Non-thermal Populations

The environment around protoplanetary disks (PPDs) regulates processes that drive the chemical and structural evolution of circumstellar material. We perform a detailed empirical survey of warm molecular hydrogen (H{sub 2}) absorption observed against H i-Ly α (Ly α : λ 1215.67) emission profiles for 22 PPDs, using archival Hubble Space Telescope ultraviolet (UV) spectra to identify H{sub 2} absorption signatures and quantify the column densities of H{sub 2} ground states in each sightline. We compare thermal equilibrium models of H{sub 2} to the observed H{sub 2} rovibrational level distributions. We find that, for the majority of targets, there is a clear deviation in high-energy states ( T {sub exc} ≳ 20,000 K) away from thermal equilibrium populations ( T (H{sub 2}) ≳ 3500 K). We create a metric to estimate the total column density of non-thermal H{sub 2} ( N (H{sub 2}){sub nLTE}) and find that the total column densities of thermal ( N (H{sub 2})) and N (H{sub 2}){sub nLTE} correlate for transition disks and targets with detectable C iv-pumped H{sub 2} fluorescence. We compare N (H{sub 2}) and N (H{sub 2}){sub nLTE} to circumstellar observables and find that N (H{sub 2}){sub nLTE} correlates with X-ray and far-UV luminosities, but no correlations are observed with the luminosities of discrete emission features (e.g., Ly α , C iv). Additionally, N (H{sub 2}) and N (H{sub 2}){sub nLTE} are too low to account for the H{sub 2} fluorescence observed in PPDs, so we speculate that this H{sub 2} may instead be associated with a diffuse, hot, atomic halo surrounding the planet-forming disk. We create a simple photon-pumping model for each target to test this hypothesis and find that Ly α efficiently pumps H{sub 2} levels with T {sub exc} ≥ 10,000 K out of thermal equilibrium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Pressure Distortion of the H{sub 2}–He Collision-induced Absorption at the Photosphere of Cool White Dwarf Stars

Collision-induced absorption (CIA) from molecular hydrogen is a dominant opacity source in the atmosphere of cool white dwarfs. It results in a significant flux depletion in the near-IR and IR parts of their spectra. Because of the extreme conditions of helium-rich atmospheres (where the density can be as high as a few g cm{sup −3}), this opacity source is expected to undergo strong pressure distortion and the currently used opacities have not been validated at such extreme conditions. To check the distortion of the CIA opacity, we applied state-of-the-art ab initio methods of computational quantum chemistry to simulate the CIA opacity at high densities. The results show that the CIA profiles are significantly distorted above densities of 0.1 g cm{sup −3} in a way that is not captured by the existing models. The roto-translational band is enhanced and shifted to higher frequencies as an effect of the decrease of the interatomic separation of the H{sub 2} molecule. The vibrational band is blueward shifted and split into Q {sub R} and Q {sub P} branches, separated by a pronounced interference dip. Its intensity is also substantially reduced. The distortions result in a shift of the maximum of the absorption from 2.3 μm to 3–7 μm, which could potentially explain the spectra of some very cool, helium-rich white dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Circumgalactic Oxygen Absorption and Feedback

O vi absorption in quasar spectra caused by intervening circumgalactic atmospheres suggests a downturn in the atmospheric column density in sightlines passing beyond about 100 kpc from central star-forming galaxies. This turnover supports the hypothesis that the oxygen originates in the central galaxies. When converted into oxygen space density using an Abel integral inversion, the O vi columns require ≳10{sup 9} M {sub ⊙} of oxygen concentrated near 100 kpc. Circumgalactic gas within this radius cools in less than 1 Gyr and radiates ∼10{sup 42.2} erg s{sup −1} overall. The feedback power necessary to maintain such oxygen-rich atmospheres for many Gyr cannot be easily supplied by galactic supernovae. However, massive central black holes in star-forming galaxies may generate sufficient accretion power and intermittent shock waves at r∼100 kpc to balance circumgalactic radiation losses in late-type L{sup ⋆} galaxies. The relative absence of O vi absorption observed in early-type, passive L{sup ⋆} galaxies may arise from enhanced AGN feedback from their more massive central black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1961

Absorption and Emission Characteristics of Diffuse Spherical Enclosures

The thermal radiation characteristics of spherical cavities are of practical interest in connection with the absorption of radiant energy for both space-vehicle and terrestrial applications. Also, spherical cavities are of potential use as sources of black-body energy. The purpose of this brief paper is to determine both the absorption and emission characteristics of spherical cavities which are diffuse reflectors and emitters.

EMISSION↗