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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

SPEARS: A Database-Invariant Spectral modeling API

The Spectral Physics Environment for Advanced Remote Sensing (SPEARS) application programming interface (API) is a Python-based, line-by-line, local thermal equilibrium (LTE) spectral modeling code which is optimized for simultaneously synthesizing optical spectra from any combination of fundamental spectroscopic databases. In this article, we contribute two novel spectral modeling techniques to the scientific literature. First we describe how SPEARS integrates a physics-based collisional model for calculating pressure broadening in the absence of available broadening coefficients. With this collisional model implementation, a generalized approach to fundamental spectroscopic databases can be achieved across multiple databases. We also detail our adaptive grid mesh algorithm developed to make the code scalable for simulating large spectral bandwidths at high spectral fidelity using intuitive grid parameters. Here, we present comparisons to other modeling tools, experiments, and provide a discussion on the SPEARS user interface.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Raman spectroscopic studies of Nd{sub 0.75}Sm{sub 0.25}GaO{sub 3} single crystals

Single crystals of Nd{sub 1-x}Sm{sub x}GaO{sub 3} (x= 0 and 0.25) were grown by a four mirror IR image furnace using floating zone technique. The crystals are characterized by X-ray diffraction and Raman spectroscopic measurements. NGO adopts orthorhombic structure with Pbnm symmetry and samarium substituted compound also exhibited the same structure as that of the pristine compound without secondary phases. Polarized Raman spectra are measured at ambient temperature in a back scattering geometry. Spectra exhibit low intensity first-order Raman bands. In addition, several high intensity second-order Raman bands have been observed in the frequency range 2000 to 4000 cm{sup −1}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A data compression and optimal galaxy weights scheme for Dark Energy Spectroscopic Instrument and weak lensing data sets

Combining different observational probes, such as galaxy clustering and weak lensing, is a promising technique for unveiling the physics of the Universe with upcoming dark energy experiments. The galaxy redshift sample from the Dark Energy Spectroscopic Instrument (DESI) will have a significant overlap with major ongoing imaging surveys specifically designed for weak lensing measurements: the Kilo-Degree Survey (KiDS), the Dark Energy Survey (DES), and the Hyper Suprime-Cam (HSC) survey. In this work, we analyse simulated redshift and lensing catalogues to establish a new strategy for combining high-quality cosmological imaging and spectroscopic data, in view of the first-year data assembly analysis of DESI. In a test case fitting for a reduced parameter set, we employ an optimal data compression scheme able to identify those aspects of the data that are most sensitive to cosmological information and amplify them with respect to other aspects of the data. We find this optimal compression approach is able to preserve all the information related to the growth of structures.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Effective utilization of quantum-cascade distributed-feedback lasers in absorption spectroscopy

A variable duty cycle quasi-cw frequency scanning technique was applied to reduce thermal effects resulting from the high heat dissipation of type I quantum-cascade lasers. This technique was combined with a 100-m path-length multipass cell and a zero-air background-subtraction technique to enhance detection sensitivity to a parts-in-10(9) (ppb) concentration level for spectroscopic trace-gas detection of CH4, N2O, H2O, and C2H5OH in ambient air at 7.9 micrometers. A new technique for analysis of dense high resolution absorption spectra was applied to detection of ethanol in ambient air, yielding a 125-ppb detection limit.

NASA Discipline Environmental Health↗
DOE OSTI2016

SYSTEMATIC UNCERTAINTIES IN THE SPECTROSCOPIC MEASUREMENTS OF NEUTRON STAR MASSES AND RADII FROM THERMONUCLEAR X-RAY BURSTS. III. ABSOLUTE FLUX CALIBRATION

Many techniques for measuring neutron star radii rely on absolute flux measurements in the X-rays. As a result, one of the fundamental uncertainties in these spectroscopic measurements arises from the absolute flux calibrations of the detectors being used. Using the stable X-ray burster, GS 1826–238, and its simultaneous observations by Chandra HETG/ACIS-S and RXTE /PCA as well as by XMM-Newton EPIC-pn and RXTE /PCA, we quantify the degree of uncertainty in the flux calibration by assessing the differences between the measured fluxes during bursts. We find that the RXTE /PCA and the Chandra gratings measurements agree with each other within their formal uncertainties, increasing our confidence in these flux measurements. In contrast, XMM-Newton EPIC-pn measures 14.0 ± 0.3% less flux than the RXTE /PCA. This is consistent with the previously reported discrepancy with the flux measurements of EPIC-pn, compared with EPIC MOS1, MOS2, and ACIS-S detectors. We also show that any intrinsic time-dependent systematic uncertainty that may exist in the calibration of the satellites has already been implicity taken into account in the neutron star radius measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Open-Source Data Analysis Tool for Spectral Small-Angle X-ray Scattering Using Spectroscopic Photon-Counting Detector

Spectral small-angle X-ray scattering (sSAXS) is a powerful technique for material characterization from thicker samples by capturing elastic X-ray scattering data in angle- and energy-dispersive modes at small angles. This approach is enabled by the use of a 2D spectroscopic photon-counting detector that provides energy and position information of scattered photons when a sample is irradiated by a polychromatic X-ray beam. Here, we describe an open-source tool with a graphical interface for analyzing sSAXS data obtained from a 2D spectroscopic photon-counting detector with a large number of energy bins. The tool takes system geometry parameters and raw detector data to output 1D scattering patterns and a 2D spatially-resolved scattering map in the energy range of interest. We validated these features using data from samples of caffeine powder with well-known scattering peaks. This open-source tool will facilitate sSAXS data analysis for various material characterization applications.

Chemistry↗
DOE OSTI2013

STEPS TOWARD UNVEILING THE TRUE POPULATION OF ACTIVE GALACTIC NUCLEI: PHOTOMETRIC CHARACTERIZATION OF ACTIVE GALACTIC NUCLEI IN COSMOS

Using a physically motivated, model-based active galactic nucleus (AGN) characterization technique, we fit a large sample of X-ray-selected AGNs with known spectroscopic redshifts from the Cosmic Evolution Survey field. We identify accretion disks in the spectral energy distributions of broad- and narrow-line AGNs, and infer the presence or absence of host galaxy light in the SEDs. Based on infrared and UV excess AGN selection techniques, our method involves fitting a given SED with a model consisting of three components: infrared power-law emission, optical-UV accretion disk emission, and host galaxy emission. Each component can be varied in relative contribution, and a reduced chi-square minimization routine is used to determine the optimum parameters for each object. Using this technique, both broad- and narrow-line AGNs fall within well-defined and plausible bounds on the physical parameters of the model, allowing trends with luminosity and redshift to be determined. In particular, based on our sample of spectroscopically confirmed AGNs, we find that approximately 95% of the broad-line AGNs and 50% of the narrow-line AGNs in our sample show evidence of an accretion disk, with maximum disk temperatures ranging from 1 to 10 eV. Because this fitting technique relies only on photometry, we hope to apply it in future work to the characterization and eventually the selection of fainter AGNs than are accessible in wide-field spectroscopic surveys, and thus probe a population of less luminous and/or higher redshift objects without prior redshift or X-ray data. With the abundant availability of photometric data from large surveys, the ultimate goal is to use this technique to create large samples that will complement and complete AGN catalogs selected by X-ray emission alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

COMMON PROPER-MOTION WIDE WHITE DWARF BINARIES SELECTED FROM THE SLOAN DIGITAL SKY SURVEY

Wide binaries made up of two white dwarfs (WDs) receive far less attention than their tight counterparts. However, our tests using the binary population synthesis code StarTrack indicate that, for any set of reasonable initial conditions, there exists a significant observable population of double white dwarfs (WDWDs) with orbital separations of 10{sup 2}-10{sup 5} AU. We adapt the technique of Dhital et al. to search for candidate common proper-motion WD companions separated by <10' around the >12,000 spectroscopically confirmed hydrogen-atmosphere WDs recently identified in the Sloan Digital Sky Survey. Using two techniques to separate random alignments from high-confidence pairs, we find nine new high-probability wide WDWDs and confirm three previously identified candidate wide WDWDs. This brings the number of known wide WDWDs to 45; our new pairs are a significant addition to the sample, especially at small proper motions (<200 mas yr{sup -1}) and large angular separations (>10''). Spectroscopic follow-up and an extension of this method to a larger, photometrically selected set of SDSS WDs may eventually produce a large enough dataset for WDWDs to realize their full potential as testbeds for theories of stellar evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The Optical Signatures of Stochastic Processes in Many-Body Exciton Scattering

We review our recent quantum stochastic model for spectroscopic lineshapes in the presence of a coevolving and nonstationary background population of excitations. Starting from a field theory description for interacting bosonic excitons, we derive a reduced model whereby optical excitons are coupled to an incoherent background via scattering as mediated by their screened Coulomb coupling. The Heisenberg equations of motion for the optical excitons are then driven by an auxiliary stochastic population variable, which we take to be the solution of an Ornstein–Uhlenbeck process. Here, we present an overview of the theoretical techniques we have developed as applied to predicting coherent nonlinear spectroscopic signals. We show how direct (Coulomb) and exchange coupling to the bath give rise to distinct spectral signatures and discuss mathematical limits on inverting spectral signatures to extract the background density of states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synthesis and characterization of methyl esters from non-edible plant species yellow oleander oil, using magnesium oxide (MgO) nano-catalyst

Highlights: • Introduction of new non-edible oil source for bioenergy industry. • Nano-particles MgO used as a heterogeneous catalyst. • Maximum conversion yield at optimum level achieved 93.1%. • Fuel properties were matched and found similar to ASTM standards. - Abstract: Synthesis and characterization of methyl esters from non-edible oil sources provide a distinctive and sustainable approach towards sustainable energy and the cleaner environment, in general. This study aims the synthesis of methyl esters from non-edible plant species yellow oleander seeds oil. The transesterification process was carried for the synthesis of methyl esters, using heterogeneous nano-catalyst magnesium oxide (MgO). A well known co-precipitation method was used for the synthesis of MgO nano-catalyst. The application of MgO nano-catalyst showed the maximum conversion (93.1%) of triacylglycerols to methyl esters. Different parameters affecting the conversion percentage; alcohol to oil molar ratio, temperature and catalyst concentrations were checked and optimized, accordingly. The optimum conditions for the maximum conversion noted; 1:5 oil to methanol molar ratio at 90 °C, using 0.2% (w/w) MgO nano-catalyst. The various analytical techniques; XRD, SEM-EDX and TEM-EDS spectroscopes were used to check out the nano-particle morphology and crystalline size, accordingly while, the FTIR, GC–MS & NMR were used to quantify and determine the structural measurements of synthesized methyl esters. The fuel properties of oleander methyl esters papered sample were checked, compared and found within accordance to the ASTM standards.

09 BIOMASS FUELS↗
DOE OSTI2013

Ionization photophysics and spectroscopy of dicyanoacetylene

Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

A fragment method for systematic improvement of anharmonic adsorbate vibrational frequencies: Acetylene on Cu(001)

We suggest a novel method for systematic improvement of anharmonic adsorbate frequencies based on a fragment approach. The calculations are carried out by considering the adsorbed molecule separately and computing an energy correction using high-level ab initio method in addition to a standard calculation of the whole adsorbed system using quantum mechanical techniques with periodic boundary conditions. We demonstrate its reliability for a C{sub 2}H{sub 2} molecule chemisorbed on a Cu(001) surface. We also show that the accuracy of the presented approach with a suitable description of the periodic surface depends mainly on the accuracy of the high-level ab initio method used to describe the adsorbate molecule. Moreover, our technique potentially allows to predict adsorbate vibrational spectra with spectroscopic accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

High harmonic generation spectroscopy via orbital angular momentum

We present an experimental technique using orbital angular momentum (OAM) in a fundamental laser field to drive high harmonic generation (HHG). The mixing of beams with different OAM allows us to generate two laser foci tightly spaced which generate harmonics that interfere in the far field. Thus, this technique is an OAM based in situ HHG interferometric spectroscopic method. With this tool, we measure the phase and amplitude of the angle dependent multiorbital HHG emission in molecular nitrogen

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Development and diagnosis of an atmospheric pressure plasma torch for investigating magnetohydrodynamic instabilities

The development and diagnosis of an atmospheric pressure, non-transferred, DC arc plasma torch for investigating magnetohydrodynamic experiments is presented. Utilizing a custom AC starter circuit coupled with a high power DC power supply a long, laminar plasma jet was successfully generated by adjusting voltage and current characteristics, gas flow rates, and torch geometry (nozzle diameter and length). A complete and detailed description of the design and operation conditions of our torch is presented such that our results may be reproduced. Utilizing copper, aluminum, and tungsten alloy electrode components in conjunction with an electrically isolated water cooling system allows for continuous torch operation. The 50 kV AC starter circuit is coupled with a 15 kW DC power supply via a series injection transformer as a part of the custom arc starter circuit components. Axial and tangential gas flow, with nitrogen as the working gas, is regulated to generate a stable, laminar, atmospheric plasma torch with a jet length of over 80 cm under ideal operating conditions. Here, to visualize the plasma interface in magnetohydrodynamics experiments, a technique was developed to image the cylindrical plasma jet in both the R-Z plane (axial) and R-θ plane (cross sectional) using planar-laser Mie scattering from particles added to the surrounding gas. Plasma emission wavelengths are filtered out allowing scattered light from the particle laden-flow field illuminated at 532 nm by an Nd:YAG laser, to be isolated. Plasma electron temperature and degree of ionization were estimated using a technique based on the well-known Fowler–Milne spectroscopic method. Electron temperatures of up to 14 000 K and degree of ionization up to 27% at the torch exit were obtained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Galaxy Cluster Mass Reconstruction Project – IV. Understanding the effects of imperfect membership on cluster mass estimation

Here, the primary difficulty in measuring dynamical masses of galaxy clusters from galaxy data lies in the separation between true cluster members from interloping galaxies along the line of sight. We study the impact of membership contamination and incompleteness on cluster mass estimates obtained with 25 commonly used techniques applied to nearly 1000 mock clusters with precise spectroscopic redshifts. We show that all methods overestimate or underestimate cluster masses when applied to contaminated or incomplete galaxy samples, respectively. This appears to be the main source of the intrinsic scatter in the mass scaling relation. Applying corrections based on a prior knowledge of contamination and incompleteness can reduce the scatter to the level of shot noise expected for poorly sampled clusters. We establish an empirical model quantifying the effect of imperfect membership on cluster mass estimation and discuss its universal and method-dependent features. We find that both imperfect membership and the response of the mass estimators depend on cluster mass, effectively causing a flattening of the estimated–true mass relation. Imperfect membership thus alters cluster counts determined from spectroscopic surveys, hence the cosmological parameters that depend on such counts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Ground-state electromagnetic moments of Ca 37

The hyperfine coupling constants of neutron deficient 37 Ca were deduced from the atomic hyperfine spectrum of the 4 s 2 S 1/2 ↔ 4 p 2 P 3/2 transition in Ca II , measured using the collinear laser spectroscopy technique. The ground-state magnetic-dipole and spectroscopic electric-quadrupole moments were observed for the first time as μ=+0.7453(72)μ N and Q = -15(11) e 2 fm 2 , respectively. The experimental values agree well with nuclear shell-model calculations using the universal sd model-space Hamiltonians versions A and B (USDA/B) in the sd -model space with a 95% probability of the canonical nucleon configuration. It is demonstrated that the magnetic moment of 39 Ca requires a larger non- sd -shell component than that of 37 Ca for good agreement with the shell-model calculation, suggests a more robust closed subshell structure of 36 Ca at the neutron number N =16 than 40 Ca. The results are also compared to valence-space in-medium similarity renormalization group calculations based on chiral two- and three-nucleon interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Spectral-Kinetic Properties of Nanosized Nickel Phthalocyanine Films on Silver Nanoparticle Monolayers

We have investigated spectral and spectral-kinetic properties of hybrid (organic semiconductor-plasmonic metal) nanocomposites on the base of silver nanoparticle monolayers and thin nickel phthalocyanine (NiPc) films. The spectroscopic results obtained by the femtosecond pump-probe technique demonstrate an enhancement of the fast optical response in the range of long-wavelength NiPc electronic absorption bands when the NiPc thin films contact with silver nanoparticles. This could be assigned to the plasmon-related modification and the enhancement of hybrid structures absorption at its steady-state absorption spectra.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1980

Far infrared measurement of stratospheric HCl

Thermal emission from three rotational lines of H(Cl-35) and H(Cl-37) was observed with a Fourier transform spectrometer from a balloon platform at 28.9 km. The measured HCl line-of-sight density at 1.9 deg elevation above 28.9 km is 4.7 + or - 1.3 x 10 to the 15th/sq cm, implying an average volume mixing ratio of 0.8 + or - 0.2 x 10 to the -9th at the mean sampling altitude of 32.5 km. For a uniform mixing ratio model, this corresponds to a vertical column density of 2.4 + or - 0.6 x 10 to the 14th/sq cm. This result is in reasonable agreement with near infrared spectroscopic determinations and an abundance from a chemical sampling technique of HCl at this altitude; a pressure modulator radiometer measurement yields a significantly higher amount of HCl.

Chance, K. V.↗