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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Electron precipitation in the postmidnight sector of the auroral zones

Measurements of the angular distributions and energy spectra of electron intensities within the energy range 50 eV to 15 keV with electrostatic analyzer arrays on board the low-altitude satellite Injun 5 are reported for the postmidnight sector of the auroral zones during the high-intensity events accompanying magnetic substorms. Precipitation features on closed terrestrial field lines well equatorward of the trapping boundary for electrons with energies greater than 45 keV are examined. Precipitation of low-energy electron intensities was characterized by isotropy for all pitch angles outside the atmospheric backscatter cone. The region of electron precipitation observed is associated with the diffuse aurora and with pulsating aurora in the postmidnight sector. Similar variations of the energetic electron intensities with energies above 45 keV were observed in the regions of fluctuating energy fluxes of low-energy electrons associated with auroral luminosity. The increases of energetic electron intensities were not coincident with those of the principal energy fluxes into the atmosphere, except when the average electron energy for the energy fluxes was unusually high, i.e., in the 10-keV range. Precipitation of electron intensities within these energy ranges is consistent with strong pitch angle diffusion of electron intensities near or at the magnetic equator by high-frequency wave turbulence, the effectiveness of which is modulated by perturbations attributable to micropulsations.

Frank, L. A.↗
DOE OSTI2023

Tumor‐pH‐value responsive non‐peripheral substituted phthalocyanines: Synthesis, investigation of photophysical and photochemical properties

Cancer is one of the diseases with the highest mortality rate worldwide. Although PDT has recently produced encouraging outcomes, there are still many areas that need to be improved. The first of these is the negative consequences faced by patients treated with the PDT method when exposed to sunlight. For this reason, a new PDT method has been developed in recent years, and it is aimed at using photosensitizer molecules that can be active in acidic conditions. Since the pH values of tumor tissues are more acidic than normal tissues, preparing molecules that act effectively in acidic conditions will allow for more effective results in treating cancer with PDT. In this context, within the scope of this study, 3‐(4‐propionylphenoxy)phthalonitrile ( 1 ) and its non‐peripheral tetra‐substituted phthalocyanine derivatives [( 2 ), ( 3 ), and ( 4 )] were prepared. With these phthalocyanine derivatives, the novel compounds ( 5 ), ( 6 ), and ( 7 ) were synthesized for the first time. The aggregation tendencies of newly synthesized phthalocyanines ( 5–7 ) were investigated in solvent media. The effects of pH changes upon UV–Vis and fluorescence spectra were performed. The electronic and emission spectra of synthesized phthalocyanine derivatives are highly sensitive to pH changes. Formation constant (Log K) values of mono‐ and di‐protonated phthalocyanine forms were calculated by the Henderson–Hasselback equation. The mono‐ and di‐protonated species' equilibrium constants (logK 1 and logK 2 ) were calculated as ~5.0. This value may be promising for pH‐sensitizing photosensitizers. Also, the photophysical and photochemical properties of synthesized metallophthalocyanine derivatives ( 2 ) and ( 5 ) were studied at different pH values. The singlet oxygen quantum yield of ( 2 ) and ( 5 ) was calculated to be 0.78 and 0.81 in DMSO, respectively. When pH = 6.4, that is, tumor‐pH‐values, this value for ( 5 ) has increased to 0.92. The newly synthesized phthalocyanines are suitable photosensitizers for PDT applications, especially with high singlet oxygen quantum yield at pH 6.4.

Genc Bilgicli, Hayriye↗
NASA NTRS2000

Gamma-Ray Burst Spectral Indices: Evidence for Deceleration of Synchrotron Shocks

The current scenario for gamma-ray bursts (GRBs) involves internal shocks for the prompt GRB emission phase and external shocks for the afterglow phase. Assuming synchrotron emission from energetic shocked electrons. GRB spectra observed with a low-energy power-law spectral index greater than -2/3 (for positive photon number indices E(sup alpha) indicate a problem with this model. The remaining spectra can test the synchrotron shock model prediction that the emission from a single distribution of electrons, cooling rapidly, is responsible for both the low-energy and high-energy power-low portions of the spectra. We find that the inferred relationship between the two spectral indices of observed GRB spectra is inconsistent with the constraints from the model, posing another problem for the synchrotron shock emission model. To overcome this problem, we describe a model where the average of -1, rather than the value of -3/2 predicted for cooling electrons. Situations where this might arise have been discussed in other contexts, and involve deceleration of the internal shocks during the GRB phase.

Preece, R. D.↗
DOE OSTI2023

Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules

Abstract We present two open-source datasets that provide time-dependent density-functional tight-binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets represent predictions of UV-vis absorption spectra performed on optimized geometries of the molecules in their electronic ground state. The GDB-9-Ex dataset contains a subset of 96,766 organic molecules from the original open-source GDB-9 dataset. The ORNL_AISD-Ex dataset consists of 10,502,904 organic molecules that contain between 5 and 71 non-hydrogen atoms. The data reveals the close correlation between the magnitude of the gaps between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), and the excitation energy of the lowest singlet excited state energies quantitatively. The chemical variability of the large number of molecules was examined with a topological fingerprint estimation based on extended-connectivity fingerprints (ECFPs) followed by uniform manifold approximation and projection (UMAP) for dimension reduction. Both datasets were generated using the DFTB+ software on the “Andes” cluster of the Oak Ridge Leadership Computing Facility (OLCF).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Electron energization during merging of self-magnetized, high-beta, laser-produced plasmas

Electron energization during merging of magnetized plasmas is studied using the OMEGA and OMEGA EP laser facilities by colliding two plasma plumes, each containing a Biermann-battery self-generated magnetic field. Two neighbouring plasma plumes are produced by intense laser beams, and the anti-parallel Biermann fields merge and reconnect in the process of the plumes’ expansion and collision. To isolate the merging as an acceleration source, the electron energy spectra obtained from two-plume collision shots are compared with the spectra from single-plume shots. Single-plume shots exhibit an energized electron tail with energies up to ${\sim }250\ \textrm {keV}$ . The electrons in merging experiments are additionally accelerated by ${\sim }50\text {--}100$ keV compared to single-plume shots.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Identification and reconstruction of low-energy electrons in the ProtoDUNE-SP detector

Measurements of electrons from 𝜈𝑒 interactions are crucial for the Deep Underground Neutrino Experiment (DUNE) neutrino oscillation program, as well as searches for physics beyond the standard model, supernova neutrino detection, and solar neutrino measurements. This article describes the selection and reconstruction of low-energy (Michel) electrons in the ProtoDUNE-SP detector. ProtoDUNE-SP is one of the prototypes for the DUNE far detector, built and operated at CERN as a charged particle test beam experiment. A sample of low-energy electrons produced by the decay of cosmic muons is selected with a purity of 95%. This sample is used to calibrate the low-energy electron energy scale with two techniques. An electron energy calibration based on a cosmic ray muon sample uses calibration constants derived from measured and simulated cosmic ray muon events. Another calibration technique makes use of the theoretically well-understood Michel electron energy spectrum to convert reconstructed charge to electron energy. In addition, the effects of detector response to low-energy electron energy scale and its resolution including readout electronics threshold effects are quantified. Finally, the relation between the theoretical and reconstructed low-energy electron energy spectra is derived, and the energy resolution is characterized. The low-energy electron selection presented here accounts for about 75% of the total electron deposited energy. After the addition of lost energy using a Monte Carlo simulation, the energy resolution improves from about 40% to 25% at 50 MeV. These results are used to validate the expected capabilities of the DUNE far detector to reconstruct low-energy electrons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1986

Carrier surface generation and recombination effects in photoconduction of HgI2 single crystals

Dc photoconductivity characteristics of HgI2 single crystals have been measured in the range of 1.75-2.75 eV, using CuI as a transparent electrical contact. Hole and electron photocurrents could be separately measured by applying different voltage polarities to the illuminated electrode. It is shown that charge carrier generation near the surface is highly extrinsic, as displayed by differences in the hole and electron photogeneration spectra. Analysis of the photoconductivity versus voltage characteristics indicates that the hole and electron bulk trapping times satisfy greater than 70 and 3 microsec, respectively. The hole and electron surface recombination velocities were 1.0 x 10 to the 4th cm/s and 8 x 10 to the 5th cm/s, respectively.

Burshtein, Z.↗
DOE OSTI2023

Demonstration of thermal limit mean transverse energy from cesium antimonide photocathodes

The mean transverse energy (MTE) of electrons emitted from cathodes is a critical parameter that determines the brightness of electron beams for applications, such as x-ray free electron lasers, particle colliders, and ultrafast electron scattering experiments. Achieving a MTE close to the thermal limit is a key step toward realizing the full potential of electron sources in these applications. Cesium antimonide (Cs 3 Sb) is a technologically important material with a long history of use in photon detection and electron sources. The smallest MTE of electrons photoemitted from Cs 3 Sb has always been appreciably greater than the thermal limit and was attributed to surface non-uniformities. In this work, we present comprehensive measurements of the photoemission electron energy spectra (PEES), quantum efficiency, and MTE from Cs 3 Sb in a wide photoexcitation energy range from 1.5 to 2.3 eV. Our PEES measurements demonstrate a notably low photoemission threshold of around 1.5 eV, which is in contrast with the previously perceived threshold of 1.8–2.0 eV. Moreover, we show that the MTE at this threshold of 1.5 eV nearly converges to the thermal limit at 300 K. At 1.8 eV, the MTE measured is 40 meV, which is comparable to the previously reported value. Here, we conclude that this MTE value at 1.8 eV photon energy is not due to surface roughness effects as previously believed, but is a direct consequence of the excess energy.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

On-chip integrated laser-driven particle accelerator

Particle accelerators represent an indispensable tool in science and industry. However, the size and cost of conventional radio-frequency accelerators limit the utility and reach of this technology. Dielectric laser accelerators (DLAs) provide a compact and cost-effective solution to this problem by driving accelerator nanostructures with visible or near-infrared pulsed lasers, resulting in a 10 4 reduction of scale. Current implementations of DLAs rely on free-space lasers directly incident on the accelerating structures, limiting the scalability and integrability of this technology. In this article, we present an experimental demonstration of a waveguide-integrated DLA that was designed using a photonic inverse-design approach. By comparing the measured electron energy spectra with particle-tracking simulations, we infer a maximum energy gain of 0.915 kilo–electron volts over 30 micrometers, corresponding to an acceleration gradient of 30.5 mega–electron volts per meter. On-chip acceleration provides the possibility for a completely integrated mega–electron volt-scale DLA.

43 PARTICLE ACCELERATORS↗
NASA NTRS1987

Current loop coalescence model of solar flares

A computer simulation and theoretical study of the physical characteristics of the explosive coalescence of current-carrying loops is presented. Characteristics of the explosive coalescence include a large impulsive increase of the kinetic energies of electrons and ions, the simultaneous heating and acceleration of electrons and ions in high and low energy ranges, and a break in the energy spectra of electrons and ions. A characteristic double subpeak structure is found in the quasi-periodic oscillations found in the time profiles of the solar flares of June 7, 1980 and November 26, 1982 which can be explained in terms of the coalescence instability of two current loops.

Tajima, T.↗
NASA NTRS1985

Bremsstrahlung spectra from thick-target electron beams with noncollisional energy losses

A generalization of the Brown's (1971) formulation of the relationship between bremsstrahlung spectrum and mean electron spectrum (electrons in the range 10-100 keV) is presented with an objective of demonstrating the information content of bremsstrahlung spectra from a thick target. It is shown that the observed photon spectrum can be inverted to yield an integral functional of the electron spectrum and the effective energy loss rate. Furthermore, if observational or theoretical electron injection spectrum is known, an effective 'phenomenological' energy loss function can be obtained.

Brown, J. C.↗
DOE OSTI2022

Monte Carlo simulations demonstrating physics of equivalency of gamma, electron-beam, and X-ray for radiation sterilization

We report the sterilization of medical devices using the gamma rays from the decay of cobalt-60 has accumulated decades of experience of the performance of the materials and devices that are irradiated. The use of radiation using electron beams and x-rays has much less experience and this leads to questions of equivalency between these three technologies. Computer simulations were conducted to model the relevant physical processes of the interactions of each of the three forms of radiation in order to compare the spectra of electron energies at energies below 500 keV. It is predominantly the electrons below this threshold that produce the sterilization dose. No difference in energy spectra was seen between the three types of initial radiation. It is concluded that there is no energy dependent difference between gamma, e-beam, and x-ray for radiation sterilization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Core spectroscopy of oxazole

We have measured, analyzed and simulated the ground state valence photoelectron (PES), X-ray absorption (XAS), X-ray photoelectron (XPS) as well as normal and resonant Auger-Meitner electron (AES) spectra of oxazole at the carbon, oxygen and nitrogen K-edge in order to understand its electronic structure. Experimental data is compared to theoretical calculations performed at the coupled cluster, restricted active space perturbation theory to second order and time-dependent density functional levels of theory. We demonstrate that both N and O K-edge XAS are sensitive to the amount of dynamical electron correlation included in the theoretical description, and that for a complete description of XPS, additional orbital correlation and orbital relaxation effects need to be considered. The normal AES are dominated by a singlet excitation channel and well described by theory. Furthermore, the resonant AES, however, are more complicated. While the participator decay channels, dominating at higher kinetic energies, are well described by coupled cluster theory, spectator channels can only be described satisfactorily using a method that combines restricted active space perturbation theory to second order for the bound part and a one-center approximation for the continuum.

74 ATOMIC AND MOLECULAR PHYSICS↗