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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Self-trapped hole and impurity-related broad luminescence in $β$-Ga 2 O 3

Here we explore the luminescence properties of self-trapped holes and impurity-related acceptors using one-dimensional configuration coordinate diagrams derived from hybrid functional calculations. The photoluminescence spectrum of as-grown $β$-Ga 2 O 3 typically consists of a broad band in the wavelength region from ultraviolet to green and is often dominated by an impurity independent ultraviolet band that is commonly attributed to self-trapped holes. Here, we use the self-trapped hole as a benchmark to evaluate the accuracy of the theoretical defect luminescence spectra and estimate the optical properties of Mg Ga , Be Ga , Ca Ga , Cd Ga , Zn Ga , Li Ga , and N O acceptor impurities, as well as their complexes with hydrogen donors. We also explore $V$ Ga acceptors complexed with hydrogen and Si Ga donor impurities. The results show that these defects can give rise to broad luminescence bands peaking in the infrared to visible part of the spectrum, making them potential candidates for the defect origin of broad luminescence bands in $β$-Ga 2 O 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evaluation and Optimization of Snow Albedo Scheme in Noah-MP Land Surface Model Using In Situ Spectral Observations in the Colorado Rockies

The Biosphere-Atmosphere Transfer Scheme (BATS) ground snow albedo algorithm is commonly used in land-surface models (LSM), weather forecasting and research applications. This study addresses key uncertainties in BATS simulated ground snow albedo within the Noah-MP LSM framework through evaluation and optimization of the Noah-MP BATS ground snow albedo formulation using 2-band (visible and near-infrared (NIR)) in situ albedo observations at Rocky Mountain field stations. The Noah-MP BATS ground snow albedo scheme is extremely sensitive to its input parameters. Namely, an ensemble generated by varying BATS input parameters within potentially plausible ranges provides an average daily range (maximum ensemble member minus minimum ensemble member) of ground snow albedo exceeding 0.45 in visible and NIR bands. Parameter optimization improves agreement between simulated and in situ observed ground snow albedo in visible, NIR and broadband spectrums. Importantly, optimized parameters result in reduced biases relative to observed fresh-snow albedo and better agreement with observed albedo decay. Our analysis across different sites supports that the optimized BATS ground snow albedo parameters are appropriate to transfer in space and time, at least within the region studied (the central-southern Rocky Mountains). The primary error source remaining after parameter optimization is that observed fresh-snow albedo is highly variable, particularly in the NIR spectrum, whereas BATS fresh-snow albedo is constant, an issue which requires further investigation. This study shows significant correlations between observed fresh-snow albedo and surface meteorological conditions (e.g., downward shortwave radiation and temperature) which can support future model development that attempts to include a time-varying formulation for fresh-snow albedo.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Nonreciprocal directional dichroism of a chiral magnet in the visible range

Nonreciprocal directional dichroism is an unusual light–matter interaction that gives rise to diode-like behavior in low-symmetry materials. The chiral varieties are particularly scarce due to the requirements for strong spin–orbit coupling, broken time-reversal symmetry, and a chiral axis. Here we bring together magneto-optical spectroscopy and first-principles calculations to reveal high-energy, broadband nonreciprocal directional dichroism in Ni 3 TeO 6 with special focus on behavior in the metamagnetic phase above 52 T. In addition to demonstrating this effect in the magnetochiral configuration, we explore the transverse magnetochiral orientation in which applied field and light propagation are orthogonal to the chiral axis and, by so doing, uncover an additional configuration with a unique nonreciprocal response in the visible part of the spectrum. In a significant conceptual advance, we use first-principles methods to analyze how the Ni 2+ d-to-d on-site excitations develop magneto-electric character and present a microscopic model that unlocks the door to theory-driven discovery of chiral magnets with nonreciprocal properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Pushing the limits of the electrochemical window with pulse radiolysis in chloroform

Pulse radiolysis (PR) enables the full redox window of a solvent to be accessed, as it does not require electrodes or electrolyte which limit the potentials accessible in voltammetry measurements. PR in chloroform has the additional possibility to enable reaching highly positive potentials because of its large ionization potential (IP). We report PR experiments demonstrated the formation of the (deuterated) chloroform radical cation CDCl 3 + ˙, identifying it as the source of the broad absorption in the visible part of the spectrum. Results indicated that solutes with a redox potential up to +3.7 V vs. Fc/Fc + can be oxidized by CDCl 3 + ˙, which is far beyond what is possible with electrochemical techniques. Oxidation is not efficient because of rapid geminate recombination with chloride counterions, but also due to rapid decomposition of CDCl 3 + ˙ which limits the yield of otherwise longer-lived free ions. The rapid, 6 ± 3 ns, decomposition, confirmed by two independent experiments, means that a solute must be present at a concentration >100 mM to capture >90% of the free holes formed. Addition of ethene removes the broad, overlapping absorptions from ubiquitous (chlorine atom, solute) complexes created by PR in halogenated solvents enabling clear observation of solute cations. The results also unravel the complex radiation chemistry of chloroform including the large reported value G (–CHCl 3 ) = 12 molecules/100 eV for the decomposition of chloroform molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Invariant Features for Accurate Predictions of Quantum Chemical UV-vis Spectra of Organic Molecules

Including invariance of global properties of a phys-ical system as an intrinsic feature in graph neural networks (GNNs) enhances the model's robustness and generalizability and reduces the amount of training data required to obtain a desired accuracy for predictions of these properties. Existing open source GNN libraries construct invariant features only for specific GNN architectures. This precludes the generalization of invariant features to arbitrary message passing neural network (MPNN) layers which, in turn, precludes the use of these libraries for new, user-specified predictive tasks. To address this limitation, we implement invariant MPNNs into the flexible and scalable HydraGNN architecture. HydraGNN enables a seamless switch between various MPNNs in a unified layer sequence and allows for a fair comparison between the predictive performance of different MPNNs. We trained this enhanced HydraGNN archi-tecture on the ultraviolet-visible (UV-vis) spectrum of GDB-9 molecules, a feature that describes the molecule's electronic exci-tation modes, computed with time-dependent density functional tight binding (TD-DFTB) and available open source through the GDB-9-Ex dataset. We assess the robustness (i.e., accuracy and generalizability) of the predictions obtained using different invariant MPNNs with respect to different values of the full width at half maximum (FWHM) for the Gaussian smearing of the theoretical peaks. Our numerical results show that incorporating invariance in the HydraGNN architecture significantly enhances both accuracy and generalizability in predicting UV-vis spectra of organic molecules.

Baker, Justin↗
DOE OSTI2022

To image, or not to image: class-specific diffractive cameras with all-optical erasure of undesired objects

Abstract Privacy protection is a growing concern in the digital era, with machine vision techniques widely used throughout public and private settings. Existing methods address this growing problem by, e.g., encrypting camera images or obscuring/blurring the imaged information through digital algorithms. Here, we demonstrate a camera design that performs class-specific imaging of target objects with instantaneous all-optical erasure of other classes of objects. This diffractive camera consists of transmissive surfaces structured using deep learning to perform selective imaging of target classes of objects positioned at its input field-of-view. After their fabrication, the thin diffractive layers collectively perform optical mode filtering to accurately form images of the objects that belong to a target data class or group of classes, while instantaneously erasing objects of the other data classes at the output field-of-view. Using the same framework, we also demonstrate the design of class-specific permutation and class-specific linear transformation cameras, where the objects of a target data class are pixel-wise permuted or linearly transformed following an arbitrarily selected transformation matrix for all-optical class-specific encryption, while the other classes of objects are irreversibly erased from the output image. The success of class-specific diffractive cameras was experimentally demonstrated using terahertz (THz) waves and 3D-printed diffractive layers that selectively imaged only one class of the MNIST handwritten digit dataset, all-optically erasing the other handwritten digits. This diffractive camera design can be scaled to different parts of the electromagnetic spectrum, including, e.g., the visible and infrared wavelengths, to provide transformative opportunities for privacy-preserving digital cameras and task-specific data-efficient imaging.

47 OTHER INSTRUMENTATION↗
NASA NTRS1972

Spectral reflectance measurements of a virus host model

A technique has been developed to detect the characteristic spectral signatures of healthy and infected St. Augustine grass. It is possible to predict the coverage of the infected area provided ground truth coverage shows positive St. Augustine grass turf. Qualitative measurements from photographs of plants in the blue and red regions with polarization show that light reflected from healthy plants is more strongly polarized than that from diseased plants. Photographs taken through the blue Wratten 47 filter in conjuction with a polarizer show an excellent differentiation. A large photographic difference also appears in the red region. Much smaller differences were noted in the 540 to 550 nm region. Although the intensity in the near-IR region is much higher than the visible region of the spectrum, differences in the healthy and diseased plants' reflectance were quite small.

Toler, R. W.↗
NASA NTRS1972

Survey of the seasonal snow cover of Alaska

The author has identified the following significant results. The delineation of the transient snow cover can generally be made directly from any of the RBV of MSS images. On many glaciers, however, there seems to be a relatively small difference between the reflectivities of snow and ice in the visible portion of the spectrum (corresponding to MSS bands 4 and 5). On the other hand, the reflectivity is distinctly lower for ice than for snow in the near infrared (MSS bands 6 and 7). By applying the sensors of the latter spectral bands the position of the transient snowline, indicative of the mass balance, can in many cases be determined with what appears to be a satisfactory accuracy. This circumstance should prove especially useful in studies of regional variations of glacier mass balances. It had been found that the effect of winds early in the fall seasons can be seen on the arctic slope when a light dusting of snow is present. Winds channeled by topography redistribute the snow and actually remove it from regions. After freeze up has occurred and a continuous snow cover exists it is possible to identify open water reaches on streams flowing through the region. Such cases are identifiable on the ERTS images especially on the MSS 7 images.

Weller, G. E.↗
NASA NTRS1972

The reaction of H2O2 with NO2 and NO

The reactions of NO and NO2 with H2O2 have been examined at 25 C. Reaction mixtures were monitored by continuously bleeding through a pinhole into a monopole mass spectrometer. NO2 was also monitored by its optical absorption in the visible part of the spectrum. Reaction mixtures containing initially 1.5 - 2.5 torr of NO2 and 0.8 - 1.4 torr of H2O2 or 1 - 12 torr of NO and 0.5 - 1.5 torr of H2O2 were studied. The H2O2 - NO reaction was complex. There was an induction period followed by a marked acceleration in reactant removal. The final products of the reaction, NO2, probably H2O, and possibly HONO2 were produced mainly after all the H2O2 was removed. The HONO intermediate was shown to disproportionate to NO2 + NO + H2O in a relatively slow first order reaction. The acceleration in H2O2 removal after the NO - H2O2 reaction is started is caused by NO2 catalysis.

Gray, D.↗
NASA NTRS1973

The space shuttle payload planning working groups. Volume 1: Astronomy

The space astronomy missions to be accomplished by the space shuttle are discussed. The principal instrument is the Large Space Telescope optimized for the ultraviolet and visible regions of the spectrum, but usable also in the infrared. Two infrared telescopes are also proposed and their characteristics are described. Other instruments considered for the astronomical observations are: (1) a very wide angle ultraviolet camera, (2) a grazing incidence telescope, (3) Explorer-class free flyers to measure the cosmic microwave background, and (4) rocket-class instruments which can fly frequently on a variety of missions. The stability requirements of the space shuttle for accomplishing the astronomy mission are defined.

Source record↗
NASA NTRS1974

Radiative transfer in real atmospheres

The problem of multiple radiation scattering in an atmosphere characterized by various amounts of aerosol absorption and different particle size distributions was investigated. The visible part of the spectrum was emphasized, including the effect of ozone absorption. An atmosphere bounded by a nonhomogenous, Lambertian surface was also studied, along with the effect of background radiation on target in terms of various atmopheric and geometric conditions. Results of the investigation indicate that comtaminated atmospheres can change the radiation field by a considerable amount, and that the effect of non-uniform surface significantly alters the intrinsic radiation from a target element. The implications of these results for the recognition processing of multispectral remote sensing data is discussed.

Turner, R. E.↗
NASA NTRS1974

Solving multiple scattering problems in planetary atmospheres

Multiple scattering problems, radiative transfer problems in planetary atmospheres within extended visible portion of the spectrum, are examined. The direct and inverse problems and the extinction coefficient are defined, along with other scattering characteristics. Albedos in semi-infinite and finite atmospheres are considered, as well as surface illumination, energy deposition, and polarization. The Eddington approximation figures prominently in the calculations. Precise numerical methods and analytical solutions are included.

Irvine, W. M.↗
NASA NTRS1975

Computed atmospheric corrections for satellite data

The corrections are presented for the visible and near infrared spectrum. The specifications of earth-atmosphere models are given. Herman's and Dave's methods of computing the four Stokes parameters are presented. The relative differences between the two sets of values are one percent. The absolute accuracy of the computations can be established only by comparisons with measured data. Suitable observations do not yet exist. Nevertheless, comparisons are made between computed and aircraft and satellite measured radiances. Particulates are the principal atmospheric variable in the window bands. They have a large effect on the radiances when the surface reflectivity is low. When the surface reflectivity exceeds 0.1, only absorbing particulates have a large effect on the reflectivity, unless the atmospheric turbidity is high. The ranges of the Multispectral Scanner responses to atmospheric effects are computed.

Fraser, R. S.↗
NASA NTRS1976

Dielectric breakdown induced by picosecond laser pulses

The damage thresholds of transparent optical materials were investigated. Single picosecond pulses at 1.06 microns, 0.53 microns and 0.35 microns were obtained from a mode locked Nd-YAG oscillator-amplifier-frequency multiplier system. The pulses were Gaussian in space and time and permitted the determination of breakdown thresholds with a reproducibility of 15%. It was shown that the breakdown thresholds are characteristic of the bulk material, which included nine alkali halides, five different laser host materials, KDP, quartz, sapphire and calcium fluoride. The extension of the damage data to the ultraviolet is significant, because some indication was obtained that two- and three-photon absorption processes begin to play a role in determining the threshold. Throughout the visible region of the spectrum the threshold is still an increasing function of frequency, indicating that avalanche ionization is the dominant factor in determining the breakdown threshold. This was confirmed by a detailed study of the damage morphology with a high resolution microscope just above the threshold. The influence of self focusing is discussed, and evidence for beam distortion below the power threshold for complete self focusing is presented, confirming the theory of Marburger.

Smith, W. L.↗
NASA NTRS1976

The calibration of photographic and spectrographic films

Certain techniques and procedures are developed and evaluated for the ascertainment of the relative spectral-photometric characteristics of standard and special spectroscopic films and plates in the visible and UV regions. These films are used in ground based and rocket launched instruments. Two photographic spectral sensitometers were developed. One instrument is a vacuum sensitometer covering a range of 1,000 to 3,000 Angstroms and the other sensitometer is the device this investigator used to study its spectral responses in the visible region of the spectrum through the utilization of a computer microdensitometric and photometric plot and contour routines.

Hammond, E. C., Jr.↗
NASA NTRS1978

On the abundance of deuterium in Jupiter's atmosphere

The ratio of deuterium to hydrogen in the Jovian atmosphere has been calculated using a new approach. D/C is obtained from weak lines of HD and CH4 in the visible region of the spectrum while C/H is derived from stronger methane and hydrogen absorptions near 1 micron. This technique permits minimization of the varying effects on line formation caused by scattering in the Jovian atmosphere while relying on absorption bands whose strengths have been measured in the laboratory. The result is a deuterium-to-hydrogen ratio of 2.3 + or - 1.1 times 10 to the -5th power, within the range of local interstellar values

Combes, M.↗
NASA NTRS1982

Thematic mapper performance

The thematic mapper primarily and its difference from MSS is reviewed. The TM has 30 meter resolution and the MSS has 80 meter resolution. This provides on agriculture an ability to accurately classify 10 acre fields with the TM versus 70 acre fields with the MSS data. There are six reflected light bands in the thematic mapper. Two bands are a new spectral region out in the IR, the shortwave IR region, as opposed to MSS's four reflected light bands. Four thematic mapper reflected light bands in the visible portion of the spectrum are designated to enhance the classification capability. The TM has better signal-to-noise ratio performance and radiometric sensitivity. The scan efficiency is increased through the use of bidirectional scanning, which gives a scan efficiency of 85% versus 45% with the multispectral scanner and more detectors per band. Greater encoding resolution is obtained in the multiplexer, 8 bit resolution versus 6 bits for MSS.

Engle, J.↗