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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Evolution of Occator Crater on (1) Ceres

The dwarf planet Ceres (diameter 939 km) is the largest object in the main asteroid belt. Recent investigations suggest that Ceres is a thermally evolved, volatile-rich body with potential geological activity, a body which was never completely molten but possibly differentiated into a rocky core, an ice-rich mantle, and which may contain remnant internal liquid water. Thermal alteration and exogenic material infall contribute to producing a (dark) carbonaceous chondritic-like surface containing ammoniated phyllosilicates. Here we report imaging and spectroscopic analyses of Occator crater derived from the Framing Camera and the Visible and Infrared Spectrometer onboard Dawn. We found that the central bright spot (Cerealia Facula) of Occator is ∼30 Myr younger than the crater itself. The central spot is located in a central pit which contains a dome that is spectrally homogenous, exhibiting absorption features that are consistent with carbonates. Multiple radial fractures across the dome indicate an extrusive formation process. Our results lead us to conclude that the floor region was subject to past endogenic activity. Dome and bright material in its vicinity formed likely due to a long-lasting, periodic, or episodic ascent of bright material from a subsurface reservoir rich in carbonates. Originally triggered by an impact event, gases, possibly dissolved from a subsurface water/brine layer, enabled material rich in carbonates to ascend through fractures and be deposited onto the surface.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Origin and Suppression of Beam Damage-Induced Oxygen-K Edge Artifact from γ-Al 2 O 3 using Cryo-EELS

Gamma-alumina (γ-Al 2 O 3 ), like other low-Z oxides, is readily damaged when exposed to an electron beam. This typically results in the formation of a characteristic pre-edge peak in the oxygen-K edge of electron energy-loss spectra (EELS) acquired during or after the damage process. This artifact can mask the presence of intrinsic O-K edge fine structure that would reveal chemical properties of the material; therefore, its suppression is key. In this work, we systematically investigate the conditions that give rise to the damage-induced O-K pre-edge peak and show that it can be effectively suppressed by performing EELS experiments at cryogenic (cryo) temperatures. Prolonged exposure of γ-Al 2 O 3 to a focused electron beam results in a hole bored through the sample; this was used as a reproducible beam damage condition. O-K edge EELS spectra were collected from a single-crystal γ-Al 2 O 3 sample both during and after focused 2 electron beam hole drilling, and at room and cryo temperatures, using a monochromated scanning transmission electron microscope (STEM). Furthermore, the characteristic 531 eV pre-edge peak visible in the room temperature EELS spectra was completely suppressed in the cryo-EELS spectra, even in the presence of a visible drilled hole. We then correlated these experimental observations with multiple-scattering EELS simulations to determine the likely atomistic origin of the damage-induced O-K pre-edge peak. The findings indicate that the pre-edge peak is caused primarily by the presence of surface O dimer (O-O) bonds formed during beam damage, and that operating at cryo temperature suppresses the formation of surface O-O bonds, thus preventing formation of the O-K pre-edge peak. Additionally, Al-L 2,3 edge EELS spectra revealed Al loss primarily from tetrahedral sites during hole drilling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

The electron–phonon coupling of fundamental, overtone, and combination modes and its effects on the resonance Raman spectra

Highlights: • The Huang–Rhys factors and electron–phonon coupling constants are calculated. • The changes of overtone mode are larger than those of fundamental mode. • The variation pattern of electron–phonon coupling well interprets the changes of spectra. - Abstract: External field plays a very important role in the interaction between the π-electron transition and atomic vibration of polyenes. It has significant effects on both the Huang–Rhys factor and the electron–phonon coupling. In this paper, the visible absorption and resonance Raman spectra of all-trans-β-carotene are measured in the 345–295 K temperature range and it is found that the changes of the 0–1 and 0–2 vibration bands of the absorption spectra with the temperature lead to the different electron–phonon coupling of fundamental, overtone, and combination modes. The electron-phonon coupling constants of all the modes are calculated and analyzed under different temperatures. The variation law of the electron–phonon coupling with the temperature well interprets the changes of the resonance Raman spectra, such as the shift, intensity and line width of the overtone and combination modes, which are all greater than those of the fundamental modes.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Measurement and Simulation of Spontaneous Raman Scattering Spectra in High-Pressure, Fuel-Rich H2-Air Flames

Rotational vibrational spontaneous Raman spectra (SRS) of H2, N2, and H2O have been measured in H2-air flames at pressures up to 30 atm as a first stem towards establishing a comprehensive Raman spectral database for temperatures and species in high-pressure combustion. A newly developed high-pressure burner facility provides steady, reproducible flames with a high degree of flow precision. We have obtained an initial set of measurements that indicate the spectra are of sufficient quality in terms of spectral resolution, wavelength coverage, and signal-to-noise ratio for use in future reference standards. The fully resolved Stokes and anti-Stokes shifted SRS spectra were collected in the visible wavelength range (400-700 nm) using pulse-stretched 532 nm excitation and a non-intensified CCD spectrograph with a high-speed shutter. Reasonable temperatures were determined via the intensity distribution of rotational H2 lines at stoichiometry and fuel-rich conditions. Theoretical Raman spectra of H2 were computed using a semi-classical harmonic-oscillator model with recent pressure broadening data and were compared with experimental results. The data and simulation indicated that high-J rotational lines of H2 might interfere with the N2 vibrational Q-branch lines, and this could lead to errors in N2-Raman thermometry based on the line-fitting method. From a comparison of N2 Q-branch spectra in lean H2 low-pressure (1.2 atm) and high-pressure (30 atm) flames, we found no significant line-narrowing or -broadening effects at the current spectrometer resolution of 0.04 nm.

Kojima, Jun↗
DOE OSTI2015

Synthesis and characterization of visible-active molybdenum disulfide (2H-MoS{sub 2}) nanospheres

In current study, a novel 2H-MoS{sub 2} nanospheres were successfully synthesized and underwent structural- as well as optical-property characterizations. The MoS{sub 2} were prepared by one pot hydrothermal approach through adopting L-cysteine as environmentally-benignchalcogenide precursor. TEM image shows that the as-synthesized MoS{sub 2} appear to be spherical in shape with size distribution in the range of 120 nm – 180 nm. HRTEM lattice-fringes imaging further elucidate that the interlayer spacing at the edges is equal to be 0.62 nm that correspond to (002) plane stacking. Also, the HRTEM image clearly-illustrate that the internal microstructure of MoS{sub 2} composed of randomly-arrayed alternating layers, which render the postulation that the formation of nanosphere is driven by self-assembly of individual layers into globular morphology. XRD diffractogram that appear to be broad and unresolved reveal the partially crystalline nature of the sample. Optical-absorption spectra depicts the sample is visible active with featureless absorption, which can attribute to indirect transition of the excitions generated. By using Tauc plot, the bandgap energy is determined to be 1.75 eV, which reflect the nanospheres are indeed visible-active nanostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1992

Stratification of chemical elements in the atmosphere of the Ap star 53 Camelopardalis

A detailed abundance analysis of Cr, Fe, Mn, Ca, and Ti in the Ap star 53 Cam from IUE high-resolution spectra has been performed. It is found that UV lines give significantly lower abundance than visible lines for Cr and Fe. Theoretical spectra of Cr II line calculated with the stratified chromium abundance distributions predicted a priori by the diffusion-mass loss model match well both visible and UV lines. The spectral shape of the Ca II K line and its variation are well accounted for by the diffusion model with mass loss. A spectrum synthesis with a stratified abundance well reproduces the observations. These findings provide convincing evidence for stratification in the photosphere of 53 Cam.

Babel, J.↗
DOE OSTI2020

Computational and Experimental Characterization of Intermediate Amorphous Phases in Geological Materials

In the subsurface, MgO engineered barriers are employed at the Waste Isolation Pilot Plant (WIPP), a transuranic waste repository near Carlsbad, NM. During service, the MgO will be exposed to high concentration brine environments and may form stable intermediate phases that can alter the barriers effectiveness. Here, MgO was aged in water and three different brine solutions. X-ray diffraction (XRD) and 1 H nuclear magnetic resonance (NMR) analysis were performed to identify the formation of secondary phases. After aging, ~4% of the MgO was hydrated and fine-grained powders resulted in greater loss of crystallinity than hard granular grains. 1 H magic angle spinning (MAS) NMR spectra resolved minor phases not visible in XRD, indicating that diverse 1 H environments are present along with Mg(OH) 2 . Density functional theory (DFT) simulations for several proposed Mg-O-H, Mg-CI-O-H, and Na-O-H containing phases were performed to index peaks in the experimental 1 H MAS NMR spectra. While proposed intermediate crystal structures exhibited overlapping 1 H NMR peaks, Mg-O-H intermediates were attributed to the growth of the 1.0-0.0ppm peak while the Mg-CI-O-H structures contributed to the 2.5- 5.0ppm peak in the chloride containing brines. Overall, NMR analysis of aged MgO indicates the formation of a range of possible intermediate structures that cannot be resolved with XRD analysis alone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Impact of surface morphology of Si substrate on performance of Si/ZnO heterojunction devices grown by atomic layer deposition technique

In this paper, the authors have investigated the structural, optical, and electrical characteristics of silicon nanowire (SiNW)/zinc oxide (ZnO) core–shell nanostructure heterojunctions and compared their characteristics with Si/ZnO planar heterojunctions to investigate the effect of surface morphology of Si substrate in the characteristics of Si/ZnO heterojunction devices. In this work, ZnO thin film was conformally deposited on both p-type 〈100〉 planar Si substrate and substrate with vertically aligned SiNW arrays by atomic layer deposition (ALD) method. The x-ray diffraction spectra show that the crystalline structures of Si/ZnO heterojunctions are having (101) preferred orientation, whereas vertically oriented SiNW/ZnO core–shell heterojunctions are having (002)-oriented wurtzite crystalline structures. The photoluminescence (PL) spectra of Si/ZnO heterojunctions show a very sharp single peak at 377 nm, corresponding to the bandgap of ZnO material with no other defect peaks in visible region; hence, these devices can have applications only in UV region. On the other hand, SiNW/ZnO heterojunctions are having band-edge peak at 378 nm along with a broad emission band, spreading almost throughout the entire visible region with a peak around 550 nm. Therefore, ALD-grown SiNW/ZnO heterojunctions can emit green and red light simultaneously. Reflectivity measurement of the heterojunctions further confirms the enhancement of visible region peak in the PL spectra of SiNW/ZnO heterojunctions, as the surface of the SiNW/ZnO heterojunctions exhibits extremely low reflectance (<3%) in the visible wavelength region compared to Si/ZnO heterojunctions (>20%). The current–voltage characteristics of both Si/ZnO and SiNW/ZnO heterojunctions are measured with large area ohmic contacts on top and bottom of the structure to compare the electrical characteristics of the devices. Due to large surface to-volume ratio of SiNW/ZnO core–shell heterojunction devices, the output current rating is about 130 times larger compared to their planar version at 2 V forward bias voltage. This higher output current rating can be exploited for fabricating high-performance nanoelectronic and optoelectronic devices in near future.

42 ENGINEERING↗
DOE OSTI2025

Chemometrics and visible diffuse reflectance spectroscopy to classify plutonium dioxide

Diffuse reflectance (DR) spectra in the Vis-NIR (∼380–1050 nm) region were acquired for a series of PuO 2 samples with a spot size of about 10 × 10 μm. Two batches of six PuO 2 samples, synthesized approximately 7.5 months apart, were prepared using both Pu(III) and Pu(IV) oxalate precursors at three distinct calcination temperatures (450, 650, and 950 °C). This yielded a total of 12 PuO 2 samples and 433 DR spectra. The DR spectrum of PuO 2 contained numerous peaks in the visible region, and characteristic features were identified with respect to calcination temperature and chemistry. A distinct peak multiplet near 615 nm was observed for samples prepared at low calcination temperatures, and a peak near 660 nm was observed for higher calcination temperatures. A multivariate classification strategy based on principal component analysis (PCA) was developed to distinguish PuO 2 calcination temperatures of 450, 650, and 950 °C with 100 % accuracy. Classification results also indicate the potential to distinguish chemical processing history (i.e., Pu(III) or Pu(IV)) based on the spectra with 72 % accuracy based on k-nearest neighbors applied to the PCA scores. Partial least squares discriminant analysis was used to identify variation among batches with 88 % accuracy and found that peaks near 669, 681, 811, and 970 nm were the most useful for predicting the batch identity. Here, this work demonstrates how micro-diffuse reflectance spectroscopy and chemometrics can be used to classify PuO 2 processing history based on Vis-NIR spectral features. Combining the chemometric approach with mapping sequences could provide a rapid, nondestructive approach to classify Pu oxide materials for environmental, forensics, and nonproliferation applications.

Actinide↗
NASA NTRS1987

Meteorite spectroscopy and characterization of asteroid surface materials

The purpose of this research effort is to improve the understanding of the origin, evolution, and interrelationships of the asteroids; of their relationships to the meteorites; and of the conditions and processes in the early inner solar system. The surface mineral assemblage and the surface heterogeneity of selected minor planets is determined from analysis of telescopic spectra to provide the data base to accomplish these goals. The analysis of asteroidal visible and near-infrared (VNIR) reflectance spectra compliments meteorite studies as a means of probing the late nebular through the early post-accretionary period of solar system history. To date, essentially all available spectral evidence has strongly indicated that the large S-type asteroids are predominantly thermally evolved, magmatically differentiated bodies.

Gaffey, Michael J.↗
NASA NTRS2015

Spectral Aerosol Extinction (SpEx): A New Instrument for In situ Ambient Aerosol Extinction Measurements Across the UV/Visible Wavelength Range

We introduce a new instrument for the measurement of in situ ambient aerosol extinction over the 300-700 nm wavelength range, the Spectral Aerosol Extinction (SpEx) instrument. This measurement capability is envisioned to complement existing in situ instrumentation, allowing for simultaneous measurement of the evolution of aerosol optical, chemical, and physical characteristics in the ambient environment. In this work, a detailed description of the instrument is provided along with characterization tests performed in the laboratory. Measured spectra of NO2 and polystyrene latex spheres agreed well with theoretical calculations. Good agreement was also found with simultaneous aerosol extinction measurements at 450, 530, and 630 nm using CAPS PMex instruments in a series of 22 tests including non-absorbing compounds, dusts, soot, and black and brown carbon analogs. SpEx can more accurately distinguish the presence of brown carbon from other absorbing aerosol due to its 300 nm lower wavelength limit compared to measurements limited to visible wavelengths. In addition, the spectra obtained by SpEx carry more information than can be conveyed by a simple power law fit that is typically defined by the use of Angstrom Exponents. Future improvements aim at lowering detection limits and ruggedizing the instrument for mobile operation.

Jordan, C. E.↗
DOE OSTI2018

Measurements of runaway electron synchrotron spectra at high magnetic fields in Alcator C-Mod

We report in the Alcator C-Mod tokamak, runaway electron (RE) experiments have been performed during low density, flattop plasma discharges at three magnetic fields: 2.7, 5.4, and 7.8 T, the last being the highest field to-date at which REs have been generated and measured in a tokamak. Time-evolving synchrotron radiation spectra were measured in the visible wavelength range (λ ≈ 300 –1000 nm) by two absolutely-calibrated spectrometers viewing co- and counter-plasma current directions. In this paper, a test particle model is implemented to predict momentum-space and density evolutions of REs on the magnetic axis and q = 1, 3/2, and 2 surfaces. Drift orbits and subsequent loss of confinement are also incorporated into the evolution. These spatiotemporal results are input into the new synthetic diagnostic SOFT which reproduces experimentally-measured spectra. For these discharges, it is inferred that synchrotron radiation dominates collisional friction as a power loss mechanism and that RE energies decrease as magnetic field is increased. Additionally, the threshold electric field for RE generation, as determined by hard x-ray and photo-neutron measurements, is compared to current theoretical predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Measurements of runaway electron synchrotron spectra at high magnetic fields in Alcator C-Mod

In the Alcator C-Mod tokamak, runaway electron (RE) experiments have been performed during low density, flattop plasma discharges at three magnetic fields: 2.7, 5.4, and 7.8 T, the last being the highest field to-date at which REs have been generated and measured in a tokamak. Time-evolving synchrotron radiation spectra were measured in the visible wavelength range (λ ≈ 300-1000 nm) by two absolutelycalibrated spectrometers viewing co- and counter-plasma current directions. In this paper, a test particle model is implemented to predict momentum-space and density evolutions of REs on the magnetic axis and q = 1, 3/2, and 2 surfaces. Drift orbits and subsequent loss of confinement are also incorporated into the evolution. These spatiotemporal results are input into the new synthetic diagnostic SOFT [M. Hoppe, et al., Nucl. Fusion 58(2), 026032 (2018)] which reproduces experimentally-measured spectra. For these discharges, it is inferred that synchrotron radiation dominates collisional friction as a power loss mechanism and that RE energies decrease as magnetic field is increased. Additionally, the threshold electric field for RE generation, as determined by hard X-ray and photo-neutron measurements, is compared to current theoretical predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Preparation of graphene/WO3/TiO2 composite and its photocathodic protection performance for 304 stainless steel

Highlights: • TiO{sub 2} nanoparticles and WO{sub 3} nanorods were immobilized onto graphene by the hydrothermal method. • The composite can provide an effective protection for 304 stainless steel under visible light. • The composite can offer a sufficient cathodic protection even in the dark. • Possible photocathodic protection mechanism of graphene/WO{sub 3}/TiO{sub 2} composite was proposed. - Abstract: Graphene/WO{sub 3}/TiO{sub 2} composite (RGO/WO{sub 3}/TiO{sub 2}) was successfully fabricated via a two-step hydrothermal method. The structure, morphology and optical property of the as-prepared composite were characterized by X-ray powder diffraction, fourier transform infrared spectra, Raman spectra, transmission electron microscope, scanning electron microscope and ultraviolet-visible diffuse reflectance spectra, respectively. Results showed that the composite was incorporated by graphene nanosheets, WO{sub 3} nanorods and TiO{sub 2} nanoparticles. It exhibited favorable absorption ability in both UV and visible light region. The photocathodic protection performance for 304 stainless steel (304SS) was proven by photocurrent density, open circuit potential, Tafel polarization curves and electrochemical impedance spectroscopy. It was found that the composite could provide an efficient protection for 304SS under visible light irradiation and even in the dark compared to the pure TiO{sub 2}. The electrode potentials negatively shifted to −760 mV under visible light. The possible photocathodic protection mechanism of the composite was also proposed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2000

Principal Component Analysis of Arctic Solar Irradiance Spectra

During the FIRE (First ISCPP Regional Experiment) Arctic Cloud Experiment and coincident SHEBA (Surface Heat Budget of the Arctic Ocean) campaign, detailed moderate resolution solar spectral measurements were made to study the radiative energy budget of the coupled Arctic Ocean - Atmosphere system. The NASA Ames Solar Spectral Flux Radiometers (SSFRs) were deployed on the NASA ER-2 and at the SHEBA ice camp. Using the SSFRs we acquired continuous solar spectral irradiance (380-2200 nm) throughout the atmospheric column. Principal Component Analysis (PCA) was used to characterize the several tens of thousands of retrieved SSFR spectra and to determine the number of independent pieces of information that exist in the visible to near-infrared solar irradiance spectra. It was found in both the upwelling and downwelling cases that almost 100% of the spectral information (irradiance retrieved from 1820 wavelength channels) was contained in the first six extracted principal components. The majority of the variability in the Arctic downwelling solar irradiance spectra was explained by a few fundamental components including infrared absorption, scattering, water vapor and ozone. PCA analysis of the SSFR upwelling Arctic irradiance spectra successfully separated surface ice and snow reflection from overlying cloud into distinct components.

Rabbette, Maura↗
NASA NTRSDate not supplied

Tools for Performing SBG hyperspectral Observing System Simulation Experiment

One of NASA’s Decadal Survey mission, Surface Biology and Geology (SBG), will include a hyperspectral remote sensing imager, which has a very high spatial resolution and a wide spectral coverage (from UV to Near IR). Unprecedented large data volumes will be generated by the SBG hyperspectral instrument. Before the launch of the new satellite, an Observing System Simulation Experiment (OSSE) can be used to study different designs of the new satellite system. One of the key components in an OSSE study is a radiative transfer model (RTM) or forward model. In this presentation, we will describe a Principal Component-based Radiative Transfer Model (PCRTM) which is capable of simulating atmospheric (TOA) radiance or reflectance spectra from far IR to visible and UV spectral regions (50 wavenumber to 30000 wavenumber) quickly and accurately. Multiple scattering from multiple layers of clouds/aerosols are included in the model. The PCRTM has a very good accuracy relative to reference line-by-line radiative transfer models (LBLRTM), and it saves 3-4 orders of magnitude computational time relative to LBLRTM or MODTRAN. The PCRTM model has been successfully used to analyze large volumes of data from hyperspectral sensors such as AIRS, CrIS, and IASI. It has also been used to perform OSSE studies for the Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission. Another useful tool for the OSSE is surface Bidirectional Reflectance Distribution Function (BRDF) database. It is very crucial for the SBG OSSE to include realistic BRDF spectra. Currently, most of the surface reflectance spectra such as those in the ECOSIS and ECOSTRESS are measured at specific observation geometries. We have developed a hyperspectral bidirectional reflectance (HSBR) model which combines Ross-Li BRDF model with the existing reflectance spectral libraries using a principal component analysis. This HSBR model can provide realistic BRDF spectra under various observation conditions. It can also be used to generate realistic BRDF spectra using measurements from multi-band imagers or spectrometers such as MODIS or VIIRS.

Xu Liu↗
DOE OSTI2016

Third order nonlinearity in pulsed laser deposited LiNbO{sub 3} thin films

Lithium niobate (LiNbO{sub 3}) thin films were prepared using pulsed laser deposition technique. Structural properties of the same were examined from XRD and optical band gap of the thin films were measured from transmittance spectra recorded using UV-Visible spectrophotometer. Nonlinear optical properties of the thin films were recorded using Z-Scan technique. The films were exhibiting third order nonlinearity and their corresponding two photon absorption, nonlinear refractive index, real and imaginary part of nonlinear susceptibility were calculated from open aperture and closed aperture transmission curves. From these studies, it suggests that these films have potential applications in nonlinear optical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2016

Titan-Like Exoplanets: Variations in Geometric Albedo and Effective Transit Height with Haze Production Rate

Extensive studies characterizing Titan present an opportunity to study the atmospheric properties of Titan-like exoplanets. Using an existing model of Titan's atmospheric haze, we computed geometric albedo spectra and effective transit height spectra for six values of the haze production rate (zero haze to twice present) over a wide range of wavelengths (0.2-2 microns). In the geometric albedo spectra, the slope in the UV-visible changes from blue to red when varying the haze production rate values from zero to twice the current Titan value. This spectral feature is the most effective way to characterize the haze production rates. Methane absorption bands in the visible-NIR compete with the absorbing haze, being more prominent for smaller haze production rates. The effective transit heights probe a region of the atmosphere where the haze and gas are optically thin and that is thus not effectively probed by the geometric albedo. The effective transit height decreases smoothly with increasing wavelength, from 376 km to 123 km at 0.2 and 2 microns, respectively. When decreasing the haze production rate, the methane absorption bands become more prominent, and the effective transit height decreases with a steeper slope with increasing wavelength. The slope of the geometric albedo in the UV-visible increases smoothly with increasing haze production rate, while the slope of the effective transit height spectra is not sensitive to the haze production rate other than showing a sharp rise when the haze production rate increases from zero. We conclude that geometric albedo spectra provide the most sensitive indicator of the haze production rate and the background Rayleigh gas. Our results suggest that important and complementary information can be obtained from the geometric albedo and motivates improvements in the technology for direct imaging of nearby exoplanets.

Geometric albedo↗