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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Infrared spectroscopic and modeling studies of H{sub 2}/CH{sub 4} microwave plasma gas phase from low to high pressure and power

InfraRed Tunable Diode Laser Absorption Spectroscopy technique has been implemented in a H{sub 2}/CH{sub 4} Micro-Wave (MW frequency f = 2.45 GHz) plasma reactor dedicated to diamond deposition under high pressure and high power conditions. Parametric studies such as a function of MW power, pressure, and admixtures of methane have been carried out on a wide range of experimental conditions: the pressure up to 270 mbar and the MW power up to 4 kW. These conditions allow high purity Chemical Vapor Deposition diamond deposition at high growth rates. Line integrated absorption measurements have been performed in order to monitor hydrocarbon species, i.e., CH{sub 3}, CH{sub 4}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The densities of the stable detected species were found to vary in the range of 10{sup 12}–10{sup 17} molecules cm{sup −3}, while the methyl radical CH{sub 3} (precursor of diamond growth under these conditions) measured into the plasma bulk was found up to 10{sup 14} molecules cm{sup −3}. The experimental densities have been compared to those provided by 1D-radial thermochemical model for low power and low pressure conditions (up to 100 mbar/2 kW). These densities have been axially integrated. Experimental measurements under high pressure and power conditions confirm a strong increase of the degree of dissociation of the precursor, CH{sub 4}, associated to an increase of the C{sub 2}H{sub 2} density, the most abundant reaction product in the plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life

To gain information on the abiotic synthesis of the building blocks of life from simple molecules, and their subsequent chemical evolution to biological systems, the starting point is the identification of target species in Titan-like planets; i.e., planets that resemble the primitive Earth, as well as in Earth-like planets in the habitable zone of their star, namely planets where life can be already originated. In this scenario, molecular spectroscopy plays a crucial role because spectroscopic signatures are at the basis of an unequivocal proof for the presence of these target molecules. Thanks to advances in many different techniques and NASA’s successful Kepler exoplanet transit mission, thousands of diverse planets outside of our solar system have been discovered. The James Webb Space Telescope (JWST), scheduled to be launched in 2018, will be very helpful in the identification of biosignature gases in Earth-like planets’ atmospheres and prebiotic molecule signatures in Titan-like atmospheres, by observing their absorption during transits. Although the search for key-target molecules in exoplanet atmospheres can be carried out by the JWST Transit Spectroscopy in the infrared (IR) region (0.6–29 μm wavelength range), opportunities for their detection in protostellar cores, protoplanetary disks, and on Titan are also offered by interferometric high spectral and spatial resolution observations using the Atacama Large Millimeter/submillimeter Array. In the present work, target molecules have been selected, and their spectroscopic characterization presented in view of supporting their infrared and complementary millimeter/submillimeter-wave spectral observations. In detail, the selected target molecules include: (1) the three-membered oxygen-containing heterocycles, oxirane and protonated oxirane; (2) the cyclopropenyl cation and its methyl derivative; (3) two examples of ortho- and peri-fused tri-cyclic aromatic rings, i.e., the phenalenyl cation (C{sub 13}H{sub 9}{sup +}) and anion (C{sub 13}H{sub 9}{sup -}); and (4) uracil, a specific RNA base.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Installation of the Dark Energy Spectroscopic Instrument at the Mayall 4-meter telescope

The Dark Energy Spectroscopic Instrument (DESI) is a Stage IV ground-based dark energy experiment that will measure the expansion history of the Universe using the Baryon Acoustic Oscillation technique. The spectra of 35 million galaxies and quasars over 14000 square degrees will be measured during the life of the experiment. We describe the installation of the major elements of the instrument at the Mayall 4m telescope, completed in late 2019. The previous prime focus corrector, spider vanes, and upper rings were removed from the Mayall’s Serrurier truss and replaced with the newlyconstructed DESI ring, vanes, cage, hexapod, and optical corrector. The new corrector was optically aligned with the primary mirror using a laser tracker system. The DESI focal plane system was integrated to the corrector, with each of its ten 500-fiber-positioner petal segments installed using custom installation hardware and the laser tracker. Ten DESI spectrographs with 30 cryostats were installed in a newly assembled clean room in the Large Coude Room. The ten cables carrying 5000 optical fibers from the positioners in the focal plane were routed down the telescope through cable wraps at the declination and hour angle axes, and their integral slitheads were integrated with the ten spectrographs. The fiber view camera assembly was installed to the Mayall’s primary mirror cell. Servers for the instrument control system replaced existing computer equipment. The fully integrated instrument has been commissioned and is ready to start its operations phase.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

CORONAL MASS EJECTION DYNAMICS REGARDING RADIAL AND EXPANSION SPEEDS

A new technique for the detection of coronal mass ejection (CME) speeds using image processing was applied. This technique permits us to determine the CME dynamics: radial and expansion distances, velocities, and accelerations. The CME dynamics is determined by the selection of a radial direction in a given Large Angle and Spectroscopic Coronagraph image, which starts just before the occulter (close to the center) and extends to the extremity of the image. By taking a series of images and extracting the same radial direction, it is possible to have a time history of any moving feature along this direction. This technique allows us to choose the number of directions that is used in the CME detection to determine its dynamics. This paper presents the results for the dynamical features (radial and expansion) of five CME events observed on 1999 February 5, 2001 February 2, 2002 March 1, 2003 December 2, and 2007 December 31.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Synchrotron infrared nano-spectroscopy and -imaging

Infrared (IR) spectroscopy has evolved into a powerful analytical technique to probe molecular and lattice vibrations, low-energy electronic excitations and correlations, and related collective surface plasmon, phonon, or other polaritonic resonances. In combination with scanning probe microscopy, near-field infrared nano-spectroscopy and -imaging techniques have recently emerged as a frontier in imaging science, enabling the study of complex heterogeneous materials with simultaneous nanoscale spatial resolution and chemical and quantum state spectroscopic specificity. Here, we describe synchrotron infrared nano-spectroscopy (SINS), which takes advantage of the low-noise, broadband, high spectral irradiance, and coherence of synchrotron infrared radiation for near-field infrared measurements across the mid- to far-infrared with nanometer spatial resolution. This powerful combination provides a qualitatively new form of broadband spatio-spectral analysis of nanoscale, mesoscale, and surface phenomena that were previously difficult to study with IR techniques, or even any form of micro-spectroscopy in general. We review the development of SINS, describe its technical implementations, and highlight selected examples representative of the rapidly growing range of applications in physics, chemistry, biology, materials science, geology, and atmospheric and space sciences.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Optically confined polarized resonance Raman studies in identifying crystalline orientation of sub-diffraction limited AlGaN nanostructure

An optical characterization tool of Raman spectroscopy with extremely weak scattering cross section tool is not popular to analyze scattered signal from a single nanostructure in the sub-diffraction regime. In this regard, plasmonic assisted characterization tools are only relevant in spectroscopic studies of nanoscale object in the sub-diffraction limit. We have reported polarized resonance Raman spectroscopic (RRS) studies with strong electron-phonon coupling to understand the crystalline orientation of a single AlGaN nanowire of diameter ∼100 nm. AlGaN nanowire is grown by chemical vapor deposition technique using the catalyst assisted vapor-liquid-solid process. The results are compared with the high resolution transmission electron microscopic analysis. As a matter of fact, optical confinement effect due to the dielectric contrast of nanowire with respect to that of surrounding media assisted with electron-phonon coupling of RRS is useful for the spectroscopic analysis in the sub-diffraction limit of 325 nm (λ/2N.A.) using an excitation wavelength (λ) of 325 nm and near ultraviolet 40× far field objective with a numerical aperture (N.A.) value of 0.50.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Active-Site Determination and Mechanistic Insights in a MOF-Supported Polymerization Catalyst

The structural elucidation of catalyst active sites in heterogeneous catalysts when supported by traditional metal oxides remains a challenge despite the advanced characterization techniques that have been developed. The catalyst-deposition-site nonuniformity in metal oxides inhibits clear structural characterization through bulk spectroscopic methods and rules out the use of single-crystal X-ray diffraction. However, for metal-organic framework (MOF)-supported catalysts, the crystallinity and uniform structures of the underlying support enhance our ability to identify the precatalyst and catalytically active sites and open the door to using single-crystal X-ray diffraction coupled with spectroscopy under reaction conditions. Additionally, the use of in situ X-ray absorption spectroscopy identifies the catalytically active site in diethylaluminum chloride (DEAC)-pretreated Cr-SIM-NU-1000 to be a Cr-ethyl when used for ethylene polymerization. Further kinetic experiments elucidate the effects of ethylene pressure, temperature, catalyst loading, and cocatalyst loading, furthering mechanistic knowledge and helping to deconvolute the structure-function relationship.

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

Visualizing nodal heavy fermion superconductivity in CeCoIn 5

Understanding the origin of superconductivity in strongly correlated electron systems continues to be at the forefront of the unsolved problems of physics. Among the heavy f-electron systems, CeCoIn 5 is one of the most fascinating, as it shares many of the characteristics of correlated d-electron high-T c cuprate and pnictide superconductors, including competition between antiferromagnetism and superconductivity. Although there has been evidence for unconventional pairing in this compound, high-resolution spectroscopic measurements of the superconducting state have been lacking. Previously, we have used high-resolution scanning tunnelling microscopy (STM) techniques to visualize the emergence of heavy fermion excitations in CeCoIn 5 and demonstrate the composite nature of these excitations well above T c (ref. 12). Here we extend these techniques to much lower temperatures to investigate how superconductivity develops within a strongly correlated band of composite excitations. Furthermore, we find the spectrum of heavy excitations to be strongly modified just before the onset of superconductivity by a suppression of the spectral weight near the Fermi energy (E F ), reminiscent of the pseudogap state in the cuprates. By measuring the response of superconductivity to various perturbations, through both quasiparticle interference (QPI) and local pair-breaking experiments, we demonstrate the nodal d-wave character of superconducting pairing in CeCoIn 5 .

Superconducting properties and materials↗
DOE OSTI2015

Optical and local structural study of Gd doped ZrO{sub 2} thin films deposited by RF magnetron sputtering technique

ZrO{sub 2} samples with 0, 7, 9, 11, 13 % Gd doping have been prepared by RF magnetron sputtering deposition technique for solid oxide fuel cell application. The optical properties of the samples have been studied by transmission spectrophotometry and spectroscopic ellipsometry while the local structure surrounding Zr sites has been characterized by extended x-ray absorption fine structure (EXAFS) measurement at Zr K edge with synchrotron radiation. It has been observed that beyond 11% Gd doping, band gap decreases and refractive index increases significantly and also oxygen and Zr coordinations surrounding Zr sites increase which indicates the formation of Gd clustering in ZrO{sub 2} matrix beyond this doping concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

A benchtop shock physics laboratory: Ultrafast laser driven shock spectroscopy and interferometry methods

Common Ti:sapphire chirped pulse amplified laser systems can be readily adapted to be both a generator of adjustable pressure shock waves and a source for multiple probes of the ensuing ultrafast shock dynamics. Here, we detail experimental considerations for optimizing the shock generation, interferometric characterization, and spectroscopic probing of shock dynamics with visible and mid-infrared transient absorption. While we have reported results using these techniques elsewhere, in this work we detail how the spectroscopies are integrated with the shock and interferometry experiment. The interferometric characterization uses information from beams at multiple polarizations and angles of incidence combined with thin film equations and shock dynamics to determine the shock velocity, particle velocity, and shocked refractive index. Visible transient absorption spectroscopy uses a white light supercontinuum in a reflection geometry, synchronized to the shock wave, to time resolve shock-induced changes in visible absorption such as changes to electronic structure or strongly absorbing products and intermediates due to reaction. Mid-infrared transient absorption spectroscopy uses two color filamentation supercontinuum generation combined with a simple thermal imaging microbolometer spectrometer to enable broadband single shot detection of changes in the vibrational spectra. These methods are reflected here in the study of shock dynamics at stresses from 5 to 30 GPa in organic materials and from a few GPa to >70 GPa in metals with spatial resolution of a few micrometers and temporal resolution of a few picoseconds. This experiment would be possible to replicate in any ultrafast laser laboratory containing a single bench top commercial chirped pulse amplification laser system.

47 OTHER INSTRUMENTATION↗
DOE OSTI2012

SPECTRAL CLASSIFICATION OF GALAXIES AT 0.5 {<=} z {<=} 1 IN THE CDFS: THE ARTIFICIAL NEURAL NETWORK APPROACH

The aim of this work is to combine spectral energy distribution (SED) fitting with artificial neural network techniques to assign spectral characteristics to a sample of galaxies at 0.5 < z < 1. The sample is selected from the spectroscopic campaign of the ESO/GOODS-South field, with 142 sources having photometric data from the GOODS-MUSIC catalog covering bands between {approx}0.4 and 24 {mu}m in 10-13 filters. We use the CIGALE code to fit photometric data to Maraston's synthesis spectra to derive mass, specific star formation rate, and age, as well as the best SED of the galaxies. We use the spectral models presented by Kinney et al. as targets in the wavelength interval {approx}1200-7500 A. Then a series of neural networks are trained, with average performance {approx}90%, to classify the best SED in a supervised manner. We consider the effects of the prominent features of the best SED on the performance of the trained networks and also test networks on the galaxy spectra of Coleman et al., which have a lower resolution than the target models. In this way, we conclude that the trained networks take into account all the features of the spectra simultaneously. Using the method, 105 out of 142 galaxies of the sample are classified with high significance. The locus of the classified galaxies in the three graphs of the physical parameters of mass, age, and specific star formation rate appears consistent with the morphological characteristics of the galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

QSO photometric redshifts using machine learning and neural networks

ABSTRACT The scientific value of the next generation of large continuum surveys would be greatly increased if the redshifts of the newly detected sources could be rapidly and reliably estimated. Given the observational expense of obtaining spectroscopic redshifts for the large number of new detections expected, there has been substantial recent work on using machine learning techniques to obtain photometric redshifts. Here, we compare the accuracy of the predicted photometric redshifts obtained from deep learning (DL) with the k-nearest neighbour (kNN) and the decision tree regression (DTR) algorithms. We find using a combination of near-infrared, visible, and ultraviolet magnitudes, trained upon a sample of Sloan Digital Sky Survey quasi-stellar objects, that the kNN and DL algorithms produce the best self-validation result with a standard deviation of σΔz = 0.24 (σΔz(norm) = 0.11). Testing on various subsamples, we find that the DL algorithm generally has lower values of σΔz, in addition to exhibiting a better performance in other measures. Our DL method, which uses an easy to implement off-the-shelf algorithm with neither filtering nor removal of outliers, performs similarly to other, more complex, algorithms, resulting in an accuracy of Δz < 0.1 up to z ∼ 2.5. Applying the DL algorithm trained on our 70 000 strong sample to other independent (radio-selected) data sets, we find σΔz ≤ 0.36 (σΔz(norm) ≤ 0.17) over a wide range of radio flux densities. This indicates much potential in using this method to determine photometric redshifts of quasars detected with the Square Kilometre Array.

Curran, S. J.↗
DOE OSTI2020

Two-dimensional electron systems in perovskite oxide heterostructures: Role of the polarity-induced substitutional defects

The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO 3 and SrTiO 3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures. However, the fundamental origins of the 2DES are still not understood, e.g., the microscopic mechanisms of coexisting interface conductivity and magnetism. In this paper, we report a comprehensive spectroscopic investigation on the depth profile of 2DES-relevant Ti 3d interface carriers using depth- and element-specific techniques like standing-wave excited photoemission and resonant inelastic scattering. We found that one type of Ti 3d interface carriers, which give rise to the 2DES are located within three unit cells from the n-type interface in the SrTiO 3 layer. Unexpectedly, another type of interface carriers, which are polarity-induced Ti-on-Al antisite defects, reside in the first three unit cells of the opposing LaAlO3 layer (~10 Å). Our findings provide a microscopic picture of how the localized and mobile Ti 3d interface carriers distribute across the interface and suggest that the 2DES and 2D magnetism at the LaAlO 3 /SrTiO 3 interface have disparate explanations as originating from different types of interface carriers.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Vision 20/20: The role of Raman spectroscopy in early stage cancer detection and feasibility for application in radiation therapy response assessment

Raman spectroscopy is an optical technique capable of identifying chemical constituents of a sample by their unique set of molecular vibrations. Research on the applicability of Raman spectroscopy in the differentiation of cancerous versus normal tissues has been ongoing for many years, and has yielded successful results in the context of prostate, breast, brain, skin, and head and neck cancers as well as pediatric tumors. Recently, much effort has been invested on developing noninvasive “Raman” probes to provide real-time diagnosis of potentially cancerous tumors. In this regard, it is feasible that the Raman technique might one day be used to provide rapid, minimally invasive real-time diagnosis of tumors in patients. Raman spectroscopy is relatively new to the field of radiation therapy. Recent work involving cell lines has shown that the Raman technique is able to identify proteins and other markers affected by radiation therapy. Although this work is preliminary, one could ask whether or not the Raman technique might be used to identify molecular markers that predict radiation response. This paper provides a brief review of Raman spectroscopic investigations in cancer detection, benefits and limitations of this method, advances in instrument development, and also preliminary studies related to the application of this technology in radiation therapy response assessment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Subsurface Spectroscopy of Thermal Degradation Inside an Inert Plastic Bonded Explosive (PBX) Simulant Using Feedback-Assisted Wavefront Shaping

We characterize the subsurface thermal degradation of an inert analog of high-explosive molecular crystals (Eu:Y(acac) 3 (DPEPO)) (EYAD) embedded inside of a plastic bonded explosive simulant using feedback-assisted wavefront shaping-based fluorescence and Raman spectroscopies. This technique utilizes wavefront shaping to focus pump light inside a heterogeneous material onto a target particle, which significantly improves its spectroscopic signature. We find that embedding the EYAD crystals in the heterogeneous polymer results in improved thermal stability, relative to bare crystal measurements, with the crystal remaining fluorescent to >612 K inside of the heterogeneous material, while the bare crystal’s fluorescence is fully quenched by 500 K. We hypothesize that this improvement is due to the polymer restricting the effects of EYAD melting, which occurs at 400 K and is the primary mechanism for spectroscopic changes in the temperature range explored.

Anderson, Benjamin R.↗
DOE OSTI2019

Constraining Temporal Oscillations of Cosmological Parameters Using SNe Ia

The existing set of SNe Ia is now sufficient to detect oscillatory deviations from the canonical ΛCDM cosmology. In this work we determine that the Fourier spectrum of the Pantheon data set of spectroscopically well-observed SNe Ia is consistent with the predictions of ΛCDM. We also develop and describe two complementary techniques for using SNe Ia to constrain those alternate cosmological models that predict deviations from ΛCDM that are oscillatory in conformal time. The first technique uses the reduced $χ^2$ statistic to determine the likelihood that the observed data would result from a given model. The second technique uses bootstrap analysis to determine the likelihood that the Fourier spectrum of a proposed model could result from statistical fluctuations around ΛCDM. We constrain three oscillatory alternate cosmological models: one in which the dark energy equation of state parameter oscillates around the canonical value of $w_Λ = -1$, one in which the energy density of dark energy oscillates around its ΛCDM value, and one in which gravity derives from a scalar field evolving under an oscillatory coupling. We further determine that any alternate cosmological model that produces distance modulus residuals with a Fourier amplitude of $\simeq$36 millimags is strongly ruled out, given the existing data, for frequencies between $\simeq$0.08 Gyr$^{-1} h_{100}$ and $\simeq$80 Gyr$^{-1} h_{100}$.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Two searches for primeval galaxies

A number of active galaxies are now known at very large redshifts, some of them even have properties suggestive of galaxies in the process of formation. They commonly show strong Ly-alpha emission, at least some of which appears to be ionized by young stars. Inferred star formation rates are in the range approximately = 100-500 solar mass/yr. An important question is: are there radio-quiet, field counterparts of these systems at comparable redshifts? Whereas, we are probably already observing some evolutionary and formative processes of distant radio galaxies, the ultimate goal is to observe normal galaxies at the epoch when most of their stars form. We have, thus, started a search for emission-line objects at large redshifts, ostensibly young and forming galaxies. Our method is to search for strong line emission (hopefully Ly alpha) employing two techniques: a direct, narrow-band imaging search, using a Fabry-Perot interferometer; and a serendipitous long-slit spectroscopic search.

Thompson, D.↗