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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The visible light degradation activity and the photocatalytic mechanism of tetra(4-carboxyphenyl) porphyrin sensitized TiO{sub 2}

Highlights: • Tetra(4-carboxyphenyl) porphyrin were chemically sensitized on TiO{sub 2}. • S2–S0 fluorescence intensity is enhanced and lifetime prolonged noticeably by TiO{sub 2}. • The TCPP-TiO{sub 2} exhibits better photoactivity under visible light than that of TiO{sub 2}. • The electronic relaxation dynamics is presented, catalytic mechanism is discussed. • Adsorption and photo degradation of MB were systematically investigated. - Abstract: Tetra(4-carboxyphenyl) porphyrin(TCPP) were chemically sensitized on TiO{sub 2} to act as visible light antenna and to modify the photoresponse properties of TiO{sub 2} particles, their properties of photo-generated holes and electrons were studied by transient absorption spectroscopes. The time-correlated single-photon counting (TCSPC) technique revealed that the S2–S0 fluorescence intensity of TCPP is enhanced noticeably by TiO{sub 2}, and the lifetime prolonged. Adsorption and photo degradation of methylene blue (MB) over TCPP-TiO{sub 2} were systematically investigated. Moreover the overall picture of electronic relaxation dynamics for TCPP-TiO{sub 2} is presented, and the detailed short-time dynamics for visible-light induced catalytic mechanism was discussed. The development of the porphyrin-based photocatalyst provides an alternative approach in harnessing solar visible light and show promising prospect for the treatment of dye pollutants from wastewaters in future industrial application.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Cryogenic Vibrationally Resolved Photoelectron Spectroscopy of OH–(H2O): Confirmation of Multidimensional Franck-Condon Simulation Results for the Transition State of the OH + H2O Reaction

We present a transition state spectroscopic study of the OH + H2O reaction using the experimental technique of cryogenic Negative Ion Photoelectron Spectroscopy (NIPES). The recorded NIPE spectrum at 193 nm exhibits multiple vibrational progressions that include excitations to the shared H atom antisymmetric stretching mode with an interval of 0.32 eV as well as other progressions, mainly involving the H bending and O…O symmetric stretching modes. The Vertical Detachment Energy (VDE) was measured at 3.53 eV, whereas an upper limit for the Adiabatic Detachment Energy (ADE) was estimated at 2.90 eV. These values are in excellent agreement with the theoretically computed values of 3.51 eV and 2.83 eV respectively, obtained at the CCSD(T)/aug-cc-pV5Z level of theory. The recorded NIPE spectrum is in very good agreement when compared to the one recently reported from four-dimensional Franck-Condon simulations, in which a similar spectral profile was predicted. Besides observing the ground state, a charge-transfer excited state in the form of [OH–(H2O)+] is identified with a relative energy of 1.39 eV, well matching the previous prediction of 1.36 eV. This work was supported by U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, and performed using EMSL, a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. The theoretical calculations were conducted on EMSL’s “Cascade” Supercomputer. This research also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Cao, Wenjin↗
DOE OSTI2016

Unsupervised data mining in nanoscale x-ray spectro-microscopic study of NdFeB magnet

Novel developments in X-ray based spectro-microscopic characterization techniques have increased the rate of acquisition of spatially resolved spectroscopic data by several orders of magnitude over what was possible a few years ago. This accelerated data acquisition, with high spatial resolution at nanoscale and sensitivity to subtle differences in chemistry and atomic structure, provides a unique opportunity to investigate hierarchically complex and structurally heterogeneous systems found in functional devices and materials systems. However, handling and analyzing the large volume data generated poses significant challenges. Here we apply an unsupervised data-mining algorithm known as DBSCAN to study a rare-earth element based permanent magnet material, Nd 2 Fe 14 B. We are able to reduce a large spectro-microscopic dataset of over 300,000 spectra to 3, preserving much of the underlying information. Scientists can easily and quickly analyze in detail three characteristic spectra. Our approach can rapidly provide a concise representation of a large and complex dataset to materials scientists and chemists. For instance, it shows that the surface of common Nd 2 Fe 14 B magnet is chemically and structurally very different from the bulk, suggesting a possible surface alteration effect possibly due to the corrosion, which could affect the material’s overall properties.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Competitive ionization processes of anthracene excited with a femtosecond pulse in the multi-photon ionization regime

To clarify the ionization mechanism of large molecules under multi-photon ionization conditions, photo-electron spectroscopic studies on anthracene have been performed with electron imaging technique. Electron kinetic energy distributions below a few eV reveal that three kinds of ionization channels coexist, viz., vertical ionization, ionization from Rydberg states, and thermionic hot electron emission. Their relative yield is determined by the characteristic of the laser pulse. The duration in particular influences the ratio between the first two processes, while for higher intensities the last process dominates. Our results provide strong evidence that internal conversion plays an important role for the ionization of the molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Solution processed lanthanum aluminate gate dielectrics for use in metal oxide-based thin film transistors

We report on ZnO-based thin-film transistors (TFTs) employing lanthanum aluminate gate dielectrics (La{sub x}Al{sub 1−x}O{sub y}) grown by spray pyrolysis in ambient atmosphere at 440 °C. The structural, electronic, optical, morphological, and electrical properties of the La{sub x}Al{sub 1−x}O{sub y} films and devices as a function of the lanthanum to aluminium atomic ratio were investigated using a wide range of characterization techniques such as UV-visible absorption spectroscopy, impedance spectroscopy, spectroscopic ellipsometry, atomic force microscopy, x-ray diffraction, and field-effect measurements. As-deposited LaAlO{sub y} dielectrics exhibit a wide band gap (∼6.18 eV), high dielectric constant (k ∼ 16), low roughness (∼1.9 nm), and very low leakage currents (<3 nA/cm{sup 2}). TFTs employing solution processed LaAlO{sub y} gate dielectrics and ZnO semiconducting channels exhibit excellent electron transport characteristics with hysteresis-free operation, low operation voltages (∼10 V), high on/off current modulation ratio of >10{sup 6}, subthreshold swing of ∼650 mV dec{sup −1}, and electron mobility of ∼12 cm{sup 2} V{sup −1} s{sup −1}.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Three-dimensional atomic mapping of hydrogenated polymorphous silicon solar cells

Hydrogenated polymorphous silicon (pm-Si:H) is a nanostructured material consisting of silicon nanocrystals embedded in an amorphous silicon matrix. Its use as the intrinsic layer in thin film p-i-n solar cells has led to good cell properties in terms of stability and efficiency. Here, we have been able to assess directly the concentration and distribution of nanocrystals and impurities (dopants) in p-i-n solar cells, by using femtosecond laser-assisted atom probe tomography (APT). An effective sample preparation method for APT characterization is developed. Based on the difference in atomic density between hydrogenated amorphous and crystalline silicon, we are able to distinguish the nanocrystals from the amorphous matrix by using APT. Moreover, thanks to the three-dimensional reconstruction, we demonstrate that Si nanocrystals are homogeneously distributed in the entire intrinsic layer of the solar cell. The influence of the process pressure on the incorporation of nanocrystals and their distribution is also investigated. Thanks to APT we could determine crystalline fractions as low as 4.2% in the pm-Si:H films, which is very difficult to determine by standard techniques, such as X-ray diffraction, Raman spectroscopy, and spectroscopic ellipsometry. Moreover, we also demonstrate a sharp p/i interface in our solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Automated UF 6 Cylinder Enrichment Assay: Status of the Hybrid Enrichment Verification Array (HEVA) Project: POTAS Phase II

Pacific Northwest National Laboratory (PNNL) intends to automate the UF 6 cylinder nondestructive assay (NDA) verification currently performed by the International Atomic Energy Agency (IAEA) at enrichment plants. PNNL is proposing the installation of a portal monitor at a key measurement point to positively identify each cylinder, measure its mass and enrichment, store the data along with operator inputs in a secure database, and maintain continuity of knowledge on measured cylinders until inspector arrival. This report summarizes the status of the research and development of an enrichment assay methodology supporting the cylinder verification concept. The enrichment assay approach exploits a hybrid of two passively-detected ionizing-radiation signatures: the traditional enrichment meter signature (186-keV photon peak area) and a non-traditional signature, manifested in the high-energy (3 to 8 MeV) gamma-ray continuum, generated by neutron emission from UF 6 . PNNL has designed, fabricated, and field-tested several prototype assay sensor packages in an effort to demonstrate proof-of-principle for the hybrid assay approach, quantify the expected assay precision for various categories of cylinder contents, and assess the potential for unsupervised deployment of the technology in a portal-monitor form factor. We refer to recent sensor-package prototypes as the Hybrid Enrichment Verification Array (HEVA). The report provides an overview of the assay signatures and summarizes the results of several HEVA field measurement campaigns on populations of Type 30B UF 6 cylinders containing low-enriched uranium (LEU), natural uranium (NU), and depleted uranium (DU). Approaches to performance optimization of the assay technique via radiation transport modeling are briefly described, as are spectroscopic and data-analysis algorithms.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

The 2 Ms Chandra Deep Field-North Survey and the 250 Ks extended Chandra Deep Field-South Survey: Improved point-source catalogs

We present improved point-source catalogs for the 2 Ms Chandra Deep Field-North (CDF-N) and the 250 ks Extended Chandra Deep Field-South (E-CDF-S) Surveys, implementing a number of recent improvements in Chandra source-cataloging methodology. For CDF-N/E-CDF-S, we provide a main catalog that contains 683/1003 X-ray sources detected with wavdetect at a false-positive probability threshold of 10{sup −5} that also satisfy a binomial-probability source-selection criterion of P<0.004/P < 0.002. Such an approach maximizes the number of reliable sources detected: a total of 196/275 main-catalog sources are new compared to the Alexander et al. CDF-N/Lehmer et al. E-CDF-S main catalogs. We also provide CDF-N/E-CDF-S supplementary catalogs that consist of 72/56 sources detected at the same wavdetect threshold and having P of 0.004–0.1/0.002–0.1 and K{sub s}⩽22.9/K{sub s}⩽22.3 mag counterparts. For all ≈1800 CDF-N and E-CDF-S sources, including the ≈500 newly detected ones (these being generally fainter and more obscured), we determine X-ray source positions utilizing centroid and matched-filter techniques; we also provide multiwavelength identifications, apparent magnitudes of counterparts, spectroscopic and/or photometric redshifts, basic source classifications, and estimates of observed active galactic nucleus and galaxy source densities around respective field centers. Simulations show that both the CDF-N and E-CDF-S main catalogs are highly reliable and reasonably complete. Background and sensitivity analyses indicate that the on-axis mean flux limits reached represent a factor of ≈1.5–2.0 improvement over the previous CDF-N and E-CDF-S limits. We make our data products publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Analysis of glow discharges for understanding the process of film formation

The physical and chemical processes which occur during the formation of different types of films in a variety of glow discharge plasmas are discussed. Emphasis is placed on plasma diagnostic experiments using spectroscopic methods, probe analysis, mass spectrometric sampling and magnetic resonance techniques which are well suited to investigate the neutral and ionized gas phase species as well as some aspects of plasma surface interactions. The results on metallic, semi-conducting and insulating films are reviewed in conjunction with proposed models and the problem encountered under film deposition conditions. It is concluded that the understanding of film deposition process requires additional experimental information on plasma surface interactions of free radicals and the synergetic effects where photon, electron and ion bombardment change the reactivity of the incident radical with the surface.

Venugopalan, M.↗
NASA NTRS1986

The millimeter and submillimeter spectrum of CF(+)

The application of a recently described technique for producing significantly enhanced concentrations of molecular ions for spectroscopic study to the detection and measurement of the millimeter and submillimeter wave spectrum of CF(+) is reported. The experimental procedure is discussed, and the measured absorption frequencies are shown and compared with those calculated from spectral constants. These constants are given together with those from the infrared spectrum by Kawaguchi and Hirota (1985).

Plummer, G. M.↗
NASA NTRS1986

Analysis of a new class of grazing incidence spectroscopic telescope

The throughput and imaging properties of one of a new class of grazing incidence spectroscopic telescope are examined with a Monte Carlo ray tracing technique. The results are compared with Wolter Schwarzschild type II telescopes of similar size. The image quality of this telescope is comparable, and the control of the off-axis light is superior to the Wolter Schwarzschild design.

Green, J. C.↗
NASA NTRS1988

Laboratory diode laser spectroscopy in molecular planetary astronomy

Infrared spectroscopy of planetary atmospheres is performed at high spectral resolution comparable to that in the laboratory. This requires that laboratory spectroscopy use the highest resolution and the most accurate techniques. Tunable diode laser spectroscopy can supply many of the spectroscopic parameters needed by astronomers. In particular, line positions, line strengths, and collisional line widths are measured with diode lasers, and these are often among the best values available. Diode laser spectra are complimentary to lower resolution, broader-coverage Fourier transform spectra. Certain procedures must be adopted, however, when using diode lasers, for determining their output characteristics and for calibrating each spectrum against quality references.

Jennings, D. E.↗
NASA NTRS1993

High angular resolution measurements of Algol

Algol (Beta Per) is an extensively studied triple system which includes an eclipsing pair. Using long baseline optical interferometry, the AB-C system of Algol has had its geometric and physical parameters determined with higher resolution and accuracy than obtained with other techniques. The orbital elements are determined, without the use of spectroscopic data, as follows: P = 680.05 d +/- 0.06 d, T = JD 2,446,931.4 +/- 1.5, e = 0.225 +/- 0.005, a-double-prime = 94.61 +/- 0.22 mas, i = 83.98 deg +/- 0.09 deg, omega = 310.29 deg +/- 0.08 deg, and Omega = 312.26 deg +/- 0.13 deg. The distance to Algol is determined as 28.2 +/- 0.8 pc. The absolute magnitude of the C component is 2.86 +/- 0.46 mag, and its mass is 1.50 +/- 0.11 solar mass. The observational results indicate the difference of the inclinations between the eclipsing pair and the wide pair to be within 1.6 deg. For the first time, the eclipsing of the close pair was observed interferometrically, and the results compare well with those from photometry.

Pan, Xiaopei↗
NASA NTRS1985

Tentative Identification of the 780/cm nu(sub 4) Band Q Branch of Chlorine Nitrate in High-Resolution Solar Absorption Spectra of the Stratosphere

Absorption by the Q branch of the nu(sub 4), band of ClONO2 at 780.2/cm has been tentatively identified in a series of 0.02/cm resolution balloon-borne solar absorption spectra of the stratosphere. The spectral data were recorded at sunset from a flot altitude of 33.5 km during a balloon flight from Holloman Air Force Base (32.8deg N, 106.0 deg W) near Alamogordo, New Mexico, on March 23 1998. A preliminary ClONO2 vertical profile has been determined from the stratospheric spectra by using the technique of nonlinear least squares spectral curve fitting and new spectroscopic parameters deduced from high-resolution laboratory spectra of ClONO2 and O3.

Rinsland, C. P.↗
NASA NTRS2012

Optical Comb from a Whispering Gallery Mode Resonator for Spectroscopy and Astronomy Instruments Calibration

The most accurate astronomical data is available from space-based observations that are not impeded by the Earth's atmosphere. Such measurements may require spectral samples taken as long as decades apart, with the 1 cm/s velocity precision integrated over a broad wavelength range. This raises the requirements specifically for instruments used in astrophysics research missions -- their stringent wavelength resolution and accuracy must be maintained over years and possibly decades. Therefore, a stable and broadband optical calibration technique compatible with spaceflights becomes essential. The space-based spectroscopic instruments need to be calibrated in situ, which puts forth specific requirements to the calibration sources, mainly concerned with their mass, power consumption, and reliability. A high-precision, high-resolution reference wavelength comb source for astronomical and astrophysics spectroscopic observations has been developed that is deployable in space. The optical comb will be used for wavelength calibrations of spectrographs and will enable Doppler measurements to better than 10 cm/s precision, one hundred times better than the current state-of-the- art.

Strekalov, Dmitry V.↗
NASA NTRS2012

A Miniaturized Laser Heterodyne Radiometer for a Global Ground-Based Column Carbon Monitoring Network

We present progress in the development of a passive, miniaturized Laser Heterodyne Radiometer (mini-LHR) that will measure key greenhouse gases (C02, CH4, CO) in the atmospheric column as well as their respective altitude profiles, and O2 for a measure of atmospheric pressure. Laser heterodyne radiometry is a spectroscopic method that borrows from radio receiver technology. In this technique, a weak incoming signal containing information of interest is mixed with a stronger signal (local oscillator) at a nearby frequency. In this case, the weak signal is sunlight that has undergone absorption by a trace gas of interest and the local oscillator is a distributive feedback (DFB) laser that is tuned to a wavelength near the absorption feature of the trace gas. Mixing the sunlight with the laser light, in a fast photoreceiver, results in a beat signal in the RF. The amplitude of the beat signal tracks the concentration of the trace gas in the atmospheric column. The mini-LHR operates in tandem with AERONET, a global network of more than 450 aerosol sensing instruments. This partnership simplifies the instrument design and provides an established global network into which the mini-LHR can rapidly expand. This network offers coverage in key arctic regions (not covered by OCO-2) where accelerated warming due to the release of CO2 and CH4 from thawing tundra and permafrost is a concern as well as an uninterrupted data record that will both bridge gaps in data sets and offer validation for key flight missions such as OCO-2, OCO-3, and ASCENDS. Currently, the only ground global network that routinely measures multiple greenhouse gases in the atmospheric column is TCCON (Total Column Carbon Observing Network) with 18 operational sites worldwide and two in the US. Cost and size of TCCON installations will limit the potential for expansion, We offer a low-cost $30Klunit) solution to supplement these measurements with the added benefit of an established aerosol optical depth measurement. Aerosols induce a radiative effect that is an important modulator of regional carbon cycles. Changes in the diffuse radiative flux fraction (DRF) due to aerosol loading have the potential to alter the terrestrial carbon exchange.

Wilson, Emily L.↗
NASA NTRS2016

Stellar Echo Imaging of Exoplanets

All stars exhibit intensity fluctuations over several timescales, from nanoseconds to years. These intensity fluctuations echo off bodies and structures in the star system. We posit that it is possible to take advantage of these echoes to detect, and possibly image, Earth-scale exoplanets. Unlike direct imaging techniques, temporal measurements do not require fringe tracking, maintaining an optically-perfect baseline, or utilizing ultra-contrast coronagraphs. Unlike transit or radial velocity techniques, stellar echo detection is not constrained to any specific orbital inclination. Current results suggest that existing and emerging technology can already enable stellar echo techniques at flare stars, such as Proxima Centauri, including detection, spectroscopic interrogation, and possibly even continent-level imaging of exoplanets in a variety of orbits. Detection of Earth-like planets around Sun-like stars appears to be extremely challenging, but cannot be fully quantified without additional data on micro- and millisecond-scale intensity fluctuations of the Sun. We consider survey missions in the mold of Kepler and place preliminary constraints on the feasibility of producing 3D tomographic maps of other structures in star systems, such as accretion disks. In this report we discuss the theory, limitations, models, and future opportunities for stellar echo imaging.

stellar↗
DOE OSTI2022

Deciphering the influence of high-flux helium plasma exposure on tungsten nanostructure growth using real-time, in situ spectroscopic ellipsometry

In situ analysis of surfaces during high-flux plasma exposure represents a long-standing challenge in the study of plasma–material interactions. While post-mortem microscopy can provide a detailed picture of structural and compositional changes, in situ techniques can capture the dynamic evolution of the surface. In this study, we demonstrate how spectroscopic ellipsometry can be applied to the real-time characterization of W nanostructure (also known as “fuzz”) growth during exposure to low temperature, high-flux He plasmas. Strikingly, over a wide range of sample temperatures and helium fluences, the measured ellipsometric parameters (Ψ,Δ) collapse onto a single curve that can be directly correlated with surface morphologies characterized by ex situ helium ion microscopy. The initial variation in the (Ψ,Δ) parameters appears to be governed by small changes in surface roughness (<50 nm) produced by helium bubble nucleation and growth, followed by the emergence of 50 nm diameter W tendrils. This basic behavior appears to be reproducible over a wide parameter space, indicating that the spectroscopic ellipsometry may be of general practical use as a diagnostic to study surface morphologies produced by high-flux He implantation in refractory metals. An advantage of the methods outlined here is that they are applicable at low incident ion energies, even below the sputtering threshold. As an example of this application, we apply in situ ellipsometry to examine how W fuzz growth is affected both by varying ion energy and the temperature of the surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗