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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Asteroid surface compositions from infrared spectroscopic observations - Results and prospects

Advances in IR detector technology, the increased availability of large aperture telescopes, and the techniques of Fourier transform spectroscopy now permit IR (with wavelengths greater than 1 micron) spectroscopic observations of asteroid surfaces. Asteroids already observed include Ceres, Vesta, and Eros. These initial results demonstrate that such studies can contribute new data concerning asteroid compositions. Some of the most diagnostic features of mineral spectra are in the IR spectral region, and for featureless spectra characterized only by slopes the extension of the spectral reflectivity curve into the IR provides tighter constraints on possible mineralogies. A systematic study of additional asteroids should exploit even further this new observational link to problems of meteorite origin and solar system evolution.

Larson, H. P.↗
DOE OSTI2015

Extracting radial velocities of A- AND B-type stars from ECHELLE spectrograph calibration spectra

We present a technique to extract radial velocity (RV) measurements from echelle spectrograph observations of rapidly rotating stars (V sin i≳50 km s{sup −1}). This type of measurement is difficult because the line widths of such stars are often comparable to the width of a single echelle order. To compensate for the scarcity of lines and Doppler information content, we have developed a process that forward-models the observations, fitting the RV shift of the star for all echelle orders simultaneously with the echelle blaze function. We use our technique to extract RV measurements from a sample of rapidly rotating A- and B-type stars used as calibrator stars observed by the California Planet Survey observations. We measure absolute RVs with a precision ranging from 0.5–2.0 km s{sup −1} per epoch for more than 100 A- and B-type stars. In our sample of 10 well-sampled stars with RV scatter in excess of their measurement uncertainties, three of these are single-lined binaries with long observational baselines. From this subsample, we present detections of two previously unknown spectroscopic binaries and one known astrometric system. Our technique will be useful in measuring or placing upper limits on the masses of sub-stellar companions discovered by wide-field transit surveys, and conducting future spectroscopic binarity surveys and Galactic space-motion studies of massive and/or young, rapidly rotating stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Fe‐Triazolate Metal–Organic Frameworks as Water Oxidation Catalysts with Dual Photoanode Functionality

Artificial photosynthesis is an emerging technology that achieves renewable fuels, such as hydrogen, from sunlight. Its realization depends on finding highly active and stable catalysts of water splitting and photoactive materials for light absorption. To be scalable, these should contain only abundant elements. Here, for the first time, Fe-triazolate (Fe(ta) 2 ) and its metal substituted derivatives (Fe-Metal(ta) 2 ) Metal-organic frameworks (MOFs) are characterized as new dual-function materials for photo-absorption and water oxidation catalysis in acidic media. The materials were studied by a range of structural, spectroscopic, and computational density functional theory (DFT) techniques. Fe(ta) 2 and Fe-Mn(ta) 2 were found to be highly active and stable in chemical and photochemical water oxidation, and in addition function as photoanodes, with photo-electrocatalytic currents (∼2.00 x 10 −3 Acm −2 at + 1.4 V vs. Ag/AgCl) at pH = 1. The possibility of a unique catalytic mechanism where O─O bond formation is possible from the coupling of two adjacent Fe IV = O fragments was demonstrated by DFT analysis. Thus, Fe-triazolate MOF has been established as a new, stable, scalable, versatile, and efficient platform for sustainable energy conversion in the realm of artificial photosynthesis.

Artificial photosynthesis↗
DOE OSTI2014

Geochemical and Mineralogical Investigation of Uranium in Multi–element Contaminated, Organic–rich Subsurface Sediment

Alluvial sediments characterized by an abundance of refractory or lignitic organic carbon compounds and reduced Fe and S bearing mineral phases have been identified through drilling activities at the U.S. Department of Energy’s (DOE) Integrated Field Research Challenge (IFRC) site at Rifle, CO. Regions of the subsurface from which such sediments are derived are referred to as Naturally Reduced Zones (NRZ). We conducted a study with NRZ sediments with the objective to: i.) Characterize solid phase contamination of U and other co-contaminants; ii.) Document the occurrence of potential U host minerals; iii.) Determine U valence state and micron scale spatial association with co-contaminants. Macroscopic (wet chemical batch extractions and a column experiment), microscopic (SEM-EDS), and spectroscopic (Mössbauer, µ-XRF and XANES) techniques were employed. Results showed that sediments’ solid phase had significant concentrations of U, S, As, Zn, V, Cr, Cu and Se, and a remarkable assortment of potential U hosts (sorbents and/or electron donors), such as Fe oxides (hematite, magnetite, Al-substituted goethite), siderite, reduced Fe(II) bearing clays, sulfides of different types, Zn sulfide framboids and multi – element sulfides. Multi-contaminants, micron size (ca. 5 to 30 µm) areas of mainly U(IV) and some U(VI), and/or other electron scavengers or donors such as Se, As, Cr, and V were discovered in the sediments, suggesting complex micron-scale system responses to transient redox conditions, and different extent and rates of competing U redox reactions than those of single contaminant systems. Collectively, the results improve our understanding and ability to predict U and NRZ’s complex behavior and will delineate future research directions to further study both the natural attenuation and persistence of contaminant plumes and their contribution to groundwater contamination.

bioavailability↗
DOE OSTI2018

Five kHz thermometry in turbulent spray flames using chirped-probe pulse femtosecond CARS, part I: Processing and interference analysis

We have applied chirped-probe-pulse (CPP) femtosecond (fs) coherent anti-Stokes Raman scattering for 5 kHz temperature measurements in turbulent spray flames. The CPP fs CARS technique has previously been used to perform spectroscopic temperature measurements in highly turbulent laboratory burners with excellent accuracy, precision, temporal resolution, and spatial resolution. In this paper, ultrafast CARS measurements in spray flames are presented as part of a larger effort to provide spatially and temporally resolved temperature fields in harsh spray environments. The Sydney Needle Spray Burner (SYNSBURN TM ) was used to stabilize turbulent spray flames of acetone and ethanol. The burner features a retractable fuel injector so that the droplet density at the nozzle exit could be systematically varied. Results from selected regions of the turbulent spray flames are discussed in detail to highlight the challenges of CPP fs CARS temperature measurements. Sources of spectral distortion due to interaction with droplets are discussed along with an uncertainty analysis. The passage of fuel through the probe volume caused varying levels of signal degradation and resulted in complete signal loss on approximately 10% of the laser shots for dense spray conditions. The interferences are attributed to two separate phenomena and are categorized based on the probable phase of the fuel – liquid or gas. Interference caused by liquid fuel was unavoidable in certain regions at certain operating conditions, but easily identified and removed. Interference from vapor fuel was more problematic as the nitrogen signal was only moderately corrupted in the high-frequency portion of the spectrum, and the temperature was generally biased to higher values. Rejecting individual signal spectra, based on a fitting error threshold, was shown to be effective in excluding shots with significant interference from fuel droplets, but shots with only minor interference require a more-advanced rejection criterion. Analysis of the temperature fields for a few selected conditions is presented showing trends with the atomization quality of the liquid fuel. Fourier analysis revealed hydrodynamic instabilities in the shear layer and relatively weak thermoacoustic instabilities in the reaction zone.

42 ENGINEERING↗
DOE OSTI2017

Expanding the role of impurity spectroscopy for investigating the physics of high-Z dissipative divertors

New techniques that attempt to more fully exploit spectroscopic diagnostics in the divertor and pedestal region during highly dissipative scenarios are demonstrated here using experimental results from recent low-Z seeding experiments on Alcator C-Mod, JET and ASDEX Upgrade. To exhaust power at high parallel heat flux, $q_∥$ > 1 GW/m 2 , while minimizing erosion, reactors with solid, high-Z plasma facing components (PFCs) are expected to use extrinsic impurity seeding. Due to transport and atomic physics processes which impact impurity ionization balance, so-called ‘non-coronal’ effects, we do not accurately know and have yet to demonstrate the maximum $q_∥$ which can be mitigated in a tokamak. Radiation enhancement for nitrogen is shown to arise primarily from changes in Li- and Be-like charge states on open field lines, but also through transport-driven enhancement of H- and He-like charge states in the pedestal region. Measurements are presented from nitrogen seeded H-mode and L-mode plasmas where emission from N 1+ through N 6+ are observed. Active charge exchange spectroscopy of partially ionized low-Z impuri- ties in the plasma edge is explored to measure N 5+ and N 6+ within the confined plasma, while passive UV and visible spectroscopy is used to measure N 1+ -N 4+ in the boundary. Examples from recent JET and Alcator C-Mod experiments which employ nitrogen seeding highlight how improving spectroscopic coverage can be used to gain empirical insight and provide more data to validate boundary simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

In situ Infrared Spectroelectrochemistry for Understanding Structural Transformations of Precisely Defined Ions at Electrochemical Interfaces

Understanding the intrinsic properties of electroactive species at electrode-electrolyte interfaces (EEIs) is essential to the rational design of high-performance solid-state energy conversion and storage systems. In situ spectroscopy combined with cyclic voltammetry (CV) provides insights into structural changes of electroactive species at functioning EEIs. Ion soft-landing enables precisely-controlled deposition of massand charge-selected ions onto electrode surfaces thereby avoiding the contamination inherent with conventional electrode preparation techniques. In this contribution, we describe a new approach for the simultaneous electrochemical and spectroscopic characterization of soft-landed ions at operating solid-state EEIs. The technique exploits a specially-fabricated three-electrode cell that is compatible with in situ infrared reflection absorption spectroscopy (IRRAS) characterization of the softlanded ions. Keggin polyoxometalate (POM) anions, PW12O40 3-, were selected as a model system for these experiments due to their multielectron redox activity, structural stability, and well-characterized IRRAS spectrum. In situ CV measurements indicated continuous multielectron transfer processes of the soft-landed PW12O40 3- anions over a large potential range of -2.1 to -0.3 V. A distinct shift in the wavenumber of the terminal W=Ot stretching vibration in the IRRAS spectra was observed during the multielectron reduction process. The results demonstrate the capabilities of the in situ spectroelectrochemical approach for examining structural changes of well-defined electroactive species during electron transfer processes at operating solid-state EEIs.

Su, Pei↗
DOE OSTI2020

3D Covalent Organic Frameworks Selectively Crystallized through Conformational Design

In this work, we present a strategy whereby selective formation of imine covalent organic frameworks (COFs) based on linking of triangles and squares into the fjh topology was achieved by the conformational design of the building units. 1,3,5-Trimethyl-2,4,6-tris(4-formylphenyl)benzene (TTFB, triangle) and 1,1,2,2-tetrakis(4-aminophenyl)ethene (ETTA, square) were reticulated into [(TTFB) 4 (ETTA) 3 ] imine , termed COF-790, which was fully characterized by spectroscopic, microscopic, and X-ray diffraction techniques. COF-790 exhibits permanent porosity and a Brunauer-Emmett-Teller (BET) surface area of 2650 m 2 g -1 . Key to the formation of this COF in crystalline form is the pre-designed conformation of the triangle and the square units to give dihedral angles in the range of 75-90°, without which the reaction results in the formation of amorphous product. We demonstrate the versatility of our strategy by also reporting the synthesis and characterization of two isoreticular forms of COF-790, COF-791 and COF-792, based on other square building units.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Direct write of copper-graphene composite using micro-cold spray

Direct write of a new class of composite materials containing copper and graphene in the powder phase is described. The composite was synthesized using batch electroless plating of copper for various times onto Nano Graphene Platelets (NGP) to control the amount of copper deposited within the loosely aggregated graphene powder. Copper deposition was confirmed by both Focused Ion Beam (FIB) and Auger electron spectroscopic analysis. A micro-cold spray technique was used to deposit traces that are ∼230 μm wide and ∼5 μm thick of the formulated copper/graphene powder onto a glass substrate. The deposited traces were found to have good adhesion to the substrate with ∼65x the copper bulk resistivity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Automated algorithms to build active galactic nucleus classifiers

ABSTRACT We present a machine learning model to classify active galactic nuclei (AGNs) and galaxies (AGN-galaxy classifier) and a model to identify type 1 (optically unabsorbed) and type 2 (optically absorbed) AGN (type 1/2 classifier). We test tree-based algorithms, using training samples built from the X-ray Multi-Mirror Mission–Newton (XMM–Newton) catalogue and the Sloan Digital Sky Survey (SDSS), with labels derived from the SDSS survey. The performance was tested making use of simulations and of cross-validation techniques. With a set of features including spectroscopic redshifts and X-ray parameters connected to source properties (e.g. fluxes and extension), as well as features related to X-ray instrumental conditions, the precision and recall for AGN identification are 94 and 93 per cent, while the type 1/2 classifier has a precision of 74 per cent and a recall of 80 per cent for type 2 AGNs. The performance obtained with photometric redshifts is very similar to that achieved with spectroscopic redshifts in both test cases, while there is a decrease in performance when excluding redshifts. Our machine learning model trained on X-ray features can accurately identify AGN in extragalactic surveys. The type 1/2 classifier has a valuable performance for type 2 AGNs, but its ability to generalize without redshifts is hampered by the limited census of absorbed AGN at high redshift.

Falocco, S. (ORCID:0000000299841103)↗
DOE OSTI2019

α -decay energies of superheavy nuclei: Systematic trends

Background: New superheavy nuclei are often identified through their characteristic α -decay energies, which requires accurate calculations of Q α values. While many Q α predictions are available, little is known about their uncertainties, and this makes it difficult to carry out extrapolations to as-yet-unknown systems. Purpose: This work aims to analyze several models, compare their predictions to available experimental data, and study their performance for the unobserved α-decay chains of 296 120 and 298 120, which are of current experimental interest. Our quantified results will also serve as a benchmark for future, more sophisticated statistical studies. Methods: We use nuclear superfluid density functional theory (DFT) with several Skyrme energy density functionals (EDFs). To estimate systematic model uncertainties, we employ uniform model averaging. Results: We investigated the Q α values for even-even nuclei from Fm to Z = 120 . For well-deformed nuclei between Fm and Ds, we find excellent consistency between different model predictions, and a good agreement with experimental results. For transitional nuclei beyond Ds, intermodel differences grow, resulting in an appreciable systematic error. In particular, our models underestimate Q α for the heaviest nucleus 294 Og. Conclusions The robustness of DFT predictions for well-deformed superheavy nuclei supports the idea of using experimental Q α values, together with theoretical predictions, as reasonable ( Z, A ) indicators. Unfortunately, this identification method is not projected to work well in the region of deformed-to-spherical shape transition as one approaches N = 184 . The use of Q α values in the identification of new superheavy nuclei will benefit greatly from progress in developing both new spectroscopic-quality EDFs and more sophisticated statistical techniques of uncertainty quantification.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

RED RUNAWAYS II: LOW-MASS HILLS STARS IN SDSS STRIPE 82

Stars ejected from the Galactic Center can be used to place important constraints on the Milky Way potential. Since existing hypervelocity stars are too distant to accurately determine orbits, we have conducted a search for nearby candidates using full three-dimensional velocities. Since the efficacy of such studies is often hampered by deficiencies in proper motion catalogs, we have chosen to utilize the reliable, high-precision Sloan Digital Sky Survey (SDSS) Stripe 82 proper motion catalog. Although we do not find any candidates which have velocities in excess of the escape speed, we identify 226 stars on orbits that are consistent with Galactic Center ejection. This number is significantly larger than what we would expect for halo stars on radial orbits and cannot be explained by disk or bulge contamination. If we restrict ourselves to metal-rich stars, we find 29 candidates with [Fe/H] > −0.8 dex and 10 with [Fe/H] > −0.6 dex. Their metallicities are more consistent with what we expect for bulge ejecta, and so we believe these candidates are especially deserving of further study. We have supplemented this sample using our own radial velocities, developing an algorithm to use proper motions for optimizing candidate selection. This technique provides considerable improvement on the blind spectroscopic sample of SDSS, being able to identify candidates with an efficiency around 20 times better than a blind search.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

H I Depletion Begins Well Beyond the Virial Radius: A FAST Stacking Study of 36 Galaxy Clusters to 5 × R 200

Abstract We present a stacking study of the neutral atomic hydrogen (H i ) content in and around 36 local galaxy clusters at z < 0.07, using a combination of the FAST All Sky H i survey (FASHI) and the extensive spectroscopic catalog mainly from the Dark Energy Spectroscopic Instrument (DESI). We employ spectral stacking techniques to probe the average H i mass and HI-to-stellar mass ratio ( M HI / M * ) for member galaxies down to stellar masses of M * ∼ 10 9 M ⊙ , spanning a projected cluster-centric distance of up to 5 R 200 . Our analysis reveals a pronounced environmental effect; both M HI and M HI / M * decrease steadily toward the cluster center, dropping by ∼0.5 dex on average from the outskirts to the core. Crucially, we find that M HI / M * of galaxies remain lower than the field galaxies even at the 5 R 200 . This provides direct, statistical evidence for substantial gas stripping and preprocessing in the cluster outskirts, likely occurring in infalling groups and large-scale filaments. By further splitting the sample by g − r color, we show that the H i deficiency persists at fixed galaxy color; even the bluest cluster members exhibit ∼0.5 dex lower M HI / M * than field galaxies of similar color, reflecting environmental effects on the cold gas reservoir prior to full optical transformation. The total H i mass within clusters and their outskirts agrees broadly with predictions from cosmological simulations. Our results underscore the critical role of the extended cluster environment in quenching galaxies by depleting their cold gas reservoirs well before they enter the dense cluster core.

Cheng, Cheng [Chinese Academy of Sciences South Am↗
NASA NTRS1986

Etching Silicon Films With Xenon Difluoride

Microscopic circuit structures prepared for probing. Xenon difluoride removes relatively large amounts of silicon from integratedcircuit or solar-cell structures while leaving SiO2, Si3N4, Al2O3, and other compounds intact. In Etching Apparatus, solid XeF2 sublimated in vacuum, then allowed to flow over sample at controlled rate and pressure. Wafer etched from back to expose SiO2 and Al layers for spectroscopic analysis of SiO2/Al interface. Using XeF2 technique, silicon wafer with oxide layer reduced in thickness from standard 300 micrometer to as little as 10 nanometer without adversely affecting oxide.

Hecht, M. H.↗
NASA NTRS1987

Mass spectroscopic characterization of the GeSe:GeI4 vapor transport system

The GeSe:GeI4 vapor crystal growth system was characterized mass spectroscopically. A steady-state Knudsen effusion technique was developed to simulate the equilibrium conditions at one end of a vapor transport ampoule. It was found that the previously neglected equilibrium GeSe2(s) = GeSe(v) + 1/2Se2(v) reduces the Se2(v) concentration to an extent that sublimation/condensation of GeSe becomes the dominant transport mechanism. At total pressures near 1 atm the concentration of an additional Ge-Se-I vapor species becomes comparable to that of GeSe(v).

Buchan, Nicholas I.↗
NASA NTRS1988

Theoretical studies of the monoxides and monosulfides of Y, Zr, and Nb

Modified-CPF and CASSCF/multireference-CI theoretical calculations are presented for the ground and low-lying states of YO and YS, ZrO and ZS, and NbO and NbS. The techniques employed are explained, and the calculated spectroscopic constants are presented in extensive tables. Good agreement is found with published experimental data on the oxides, and it is inferred that the sulfide results are accurate as well. Particular attention is given to the high-lying quartet manifold of states in YO and the (1) 3Pi-a3Delta transition of ZrS (possibly the source of the IR Keenan bands seen in S-star spectra).

Langhoff, Stephen R.↗
NASA NTRS2007

324GHz CMOS VCO Using Linear Superimposition Technique

Terahertz (frequencies ranged from 300GHz to 3THz) imaging and spectroscopic systems have drawn increasing attention recently due to their unique capabilities in detecting and possibly analyzing concealed objects. The generation of terahertz signals is nonetheless nontrivial and traditionally accomplished by using either free-electron radiation, optical lasers, Gunn diodes or fundamental oscillation by using III-V based HBT/HEMT technology[1-3]... We have substantially extended the operation range of deep-scaled CMOS by using a linear superimposition method, in which we have realized a 324GHz VCO in 90nm digital CMOS with 4GHz tuning range under 1V supply voltage. This may also pave the way for ultra-high data rate wireless communications beyond that of IEEE 802.15.3c and reach data rates comparable to that of fiber optical communications, such as OC768 (40Gbps) and beyond.

voltage controlled oscillators (VCO)↗
NASA NTRS1995

Fabricating Sub-Collimating Grids for an X-Ray Solar Imaging Spectrometer Using LIGA Techniques

A proposed NASA mission uses a High Energy Solar Spectroscopic Imager (HESSI) to image solar X-rays. The HESSI instrument consists of twelve rotating pairs of high aspect ratio, high Z grids, each pair of which is separated by 1.7 meters and backed by a single Ge detector. Discussed are the fabrication of these proof-of-concept sub-collimating X-ray grids which are to be used in HESSI.

solar↗