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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Hydroxycinnamic acid-derived polymers constitute the polyaromatic domain of suberin

Suberin is an abundant, complex, intractable, plant cell wall polymeric network that forms both protective and wound-healing layers. Its function is, therefore, critical to the survival of all vascular plants. Its chemical structure and biosynthesis are poorly defined, although it is known to consist of both aromatic and aliphatic domains. While the composition of the aliphatic component has been fairly well characterized, that of the phenolic component has not. Using a combination of specific carbon-13 labeling techniques, and in situ solid state 13C NMR spectroscopic analysis, we now provide the first direct evidence for the nature of the phenolic domain of suberin and report here that it is almost exclusively comprised of a covalently linked, hydroxycinnamic acid-derived polymeric matrix.

NASA Discipline Plant Biology↗
DOE OSTI2015

Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques

We report on a new modular setup on a silicon-based microreactor designed for correlative spectroscopic, scattering, and analytic on-line gas investigations for in situ studies of heterogeneous catalysts. The silicon microreactor allows a combination of synchrotron radiation based techniques (e.g., X-ray diffraction and X-ray absorption spectroscopy) as well as infrared thermography and Raman spectroscopy. Catalytic performance can be determined simultaneously by on-line product analysis using mass spectrometry. We present the design of the reactor, the experimental setup, and as a first example for an in situ study, the catalytic partial oxidation of methane showing the applicability of this reactor for in situ studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Constraining the Neutron Star Compactness: Extraction of the Al 23 ( p , γ ) Reaction Rate for the r p Process

The 23 Al(p,γ) 24 Si reaction is among the most important reactions driving the energy generation in type-I x-ray bursts. However, the present reaction-rate uncertainty limits constraints on neutron star properties that can be achieved with burst model-observation comparisons. In this work, we present a novel technique for constraining this important reaction by combining the GRETINA array with the neutron detector LENDA coupled to the S800 spectrograph at the National Superconducting Cyclotron Laboratory. The 23 Al(d,n) reaction was used to populate the astrophysically important states in 24 Si. This enables a measurement in complete kinematics for extracting all relevant inputs necessary to calculate the reaction rate. For the first time, a predicted close-lying doublet of a $2^{+}_{2}$ and ($4^{+}_{1}, 0^{+}_{2}$) state in 24 Si was disentangled, finally resolving conflicting results from two previous measurements. Furthermore, it was possible to extract spectroscopic factors using GRETINA and LENDA simultaneously. This new technique may be used to constrain other important reaction rates for various astrophysical scenarios.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Simulating the Multi-epoch Direct Detection Technique to Isolate the Thermal Emission of the Non-transiting Hot Jupiter HD187123b

We report the 6.5σ detection of water from the hot Jupiter HD187123b with a Keplerian orbital velocity K {sub p} of 53 ± 13 km s{sup −1}. This high-confidence detection is made using a multi-epoch, high-resolution, cross-correlation technique, and corresponds to a planetary mass of 1.4{sub −0.3}{sup +0.5} M {sub J} and an orbital inclination of 21° ± 5°. The technique works by treating the planet/star system as a spectroscopic binary and obtaining high signal-to-noise, high-resolution observations at multiple points across the planet’s orbit to constrain the system’s binary dynamical motion. All together, seven epochs of Keck/NIRSPEC L-band observations were obtained, with five before the instrument upgrade and two after. Using high-resolution SCARLET planetary and PHOENIX stellar spectral models, we were able to drastically increase the confidence of the detection by running simulations that could reproduce, and thus remove, the nonrandom structured noise in the final likelihood space well. The ability to predict multi-epoch results will be extremely useful for furthering the technique. Here, we use these simulations to compare three different approaches to combining the cross correlations of high-resolution spectra and find that the Zucker log(L) approach is least affected by unwanted planet/star correlation for our HD187123 data set. Furthermore, we find that the same total signal-to-noise ratio (S/N) spread across an orbit in many, lower S/N epochs rather than fewer, higher S/N epochs could provide a more efficient detection. This work provides a necessary validation of multi-epoch simulations, which can be used to guide future observations and will be key to studying the atmospheres of farther separated, non-transiting exoplanets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Real-Space Pseudopotential Method for the Calculation of Third-Row Elements X-ray Photoelectron Spectroscopic Signatures

X-ray photoelectron spectroscopy (XPS) is a powerful characterization technique that unveils subtle chemical environment differences via core– electron binding energy (CEBE) analysis. We extend the development of realspace pseudopotential methods to calculating 1s, 2s, and 2p 3/2 CEBEs of third-row elements (S, P, and Si) within the framework of Kohn–Sham density-functional theory (KS-DFT). The new approach systematically prevents variational collapse and simplifies core-excited orbital selection within dense energy level distributions. However, careful error cancellation analysis is required to achieve accuracy comparable to all-electron methods and experiments. Combined with real-space KS-DFT implementation, this development enables large-scale simulations with both Dirichlet boundary conditions and periodic boundary conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Review of spectroscopic data for measurement of stratospheric species

The role of various infrared techniques in measurements of trace gases in the stratosphere were surveyed. Particular emphasis was placed on the role of instruments exhibiting ultrahigh resolution (i.e., less than or equal to 0.00/cm) such as laser heterodyne spectrometers.

Goldman, A.↗
DOE OSTI2018

Spectroscopic and Theoretical Studies of Fluorescence Effects in 2-Methylamino-5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazole Induced by Molecular Aggregation

The article presents the results of fluorescence analyses of 2-methylamino-5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazole (MDFT) in an aqueous environment. MDFT dissolved in aqueous solutions with a pH value in the range from 1 to 4.5 yielded an interesting effect of two clearly separated fluorescence emissions. In turn, a single fluorescence was observed in MDFT dissolved in water solutions with a pH value from 4.5 to 12. As it was suggested in the previous investigations of other 1,3,4-thiadiazole compounds, these effects may be associated with conformational changes in the structure of the analysed molecule accompanied by aggregation effects. Crystallographic data showed that the effect of the two separated fluorescence emissions occurred in a conformation with the –OH group in the resorcyl ring bound on the side of the sulphur atom from the 1,3,4-thiadiazole ring. The hypothesis of aggregation as the mechanism involved in the change in the spectral properties at low pH is supported by the results of (Time-Dependent) Density Functional Theory calculations. The possibility of rapid analysis of conformational changes with the fluorescence spectroscopy technique may be rather important outcome obtained from the spectroscopic studies presented in this article. Additionally, the presented results seem to be highly important as they can be easily observed in solutions and biologically important samples.

74 ATOMIC AND MOLECULAR PHYSICS↗
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 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 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↗