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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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Modeling and Characterizing the electron backscatter in a cylindrical anode-based distributed X-ray source
Upcoming advancements in computed tomography architectures warrants the investigation of new X-ray source designs and the impacts that electron backscatter can have on these designs. One such design being investigated is a distributed, cylindrical anode-based X-ray source. For such a distributed X-ray source, we developed a modeling pipeline for simulating electron optics and transport to characterize the quality of the primary X-ray beam and the electron backscatter behavior. We report our results on the energy distributions of the bremsstrahlung spectra; electron backscatter ratio; and spatial, temporal, and energy distributions of backscattered electrons that return to the anode.
Interference between Franck–Condon and Herzberg–Teller Terms in the Condensed-Phase Molecular Spectra of Metal-Based Tetrapyrrole Derivatives
The commonly used Franck-Condon (FC) approximation is inadequate for explaining the electronic spectra of compounds that possess vibrations with substantial Herzberg-Teller (HT) couplings. Metal-based tetrapyrrole derivatives, which are ubiquitous natural pigments, often exhibit prominent HT activity. In this paper, we compare the condensed phase spectra of zinc-tetraphenylporphyrin (ZnTPP) and zinc-phthalocyanine (ZnPc), which exhibit vastly different spectral features in spite of sharing a common tetrapyrrole backbone. The absorption and emission spectra of ZnTPP are characterized by a lack of mirror symmetry and nontrivial temperature dependence. In contrast, mirror symmetry is restored, and the nontrivial temperature-dependent features disappear in ZnPc. We attribute these differences to FC-HT interference, which is less pronounced in ZnPc because of a larger FC component in the dipole moment that leads to FC-dominated transitions. A single minimalistic FC-HT vibronic model reproduces all the experimental spectral features of these molecules. These observations suggest that FC-HT interference is highly susceptible to chemical modification.
Secondary emission effects on spacecraft charging: Energy distribution considerations
The conditions under which multiple valued solutions occur by computing the floating potential of an isolated eclipses surface on a geosynchronous orbit spacecraft were examined. Different approximations for the electron spectra during a geomagnetic substorm were used. The result indicates that if the incident electron flux has a Maxwellian energy distribution, the ratio of the secondary emitted current to the incident electron current is independent of the spacecraft potential. In this case a single value solution to the current equation occurs.
Electron energy-loss spectra in molecular fluorine
Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.
Core-Level Spectroscopy of 2-Thiouracil at the Sulfur L1- and L2,3-Edges Utilizing a SASE Free-Electron Laser
In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.
Electronic Structure of Ru 2 6+ Complexes with Electron-Rich Anilinopyridinate Ligands
Diruthenium paddlewheel complexes supported by electron-rich anilinopyridinate (Xap) ligands were synthesized in the course of the first in-depth structural and spectroscopic interrogation of monocationic [Ru 2 (Xap) 4 Cl] + species in the Ru 2 6+ oxidation state. Despite paramagnetism of the compounds, 1 H NMR spectroscopy proved highly informative for determining the isomerism of the Ru 2 5+ and Ru 2 6+ compounds. While most compounds are found to have the polar (4,0) geometry, with all four Xap ligands in the same orientation, some synthetic procedures resulted in a mixture of (4,0) and (3,1) isomers, most notably in the case of the parent compound Ru 2 (ap) 4 Cl. The isomerism of this compound has been overlooked in previous reports. Electrochemical studies demonstrate that oxidation potentials can be tuned by the installation of electron donating groups to the ligands, increasing accessibility of the Ru 2 6+ oxidation state. The resulting Ru 2 6+ monocations were found to have the expected (π*) 2 ground state, and an in-depth study of the electronic transitions by Vis/NIR absorption and MCD spectroscopies with the aid of TD-DFT allowed for the assignment of the electronic spectra. Here, the empty δ* orbital is the major acceptor orbital for the most prominent electronic transitions. Both Ru 2 5+ and Ru 2 6+ compounds were studied by Ru K-edge X-ray absorption spectroscopy; however, the rising edge energy is insensitive to redox changes in the compounds due to the broad line shape observed for 4d transition metal K-edges. DFT calculations indicate the presence of ligand orbitals at the frontier level, suggesting that further oxidation beyond Ru 2 6+ will be ligand-centered rather than metal-centered.
Experiment M408: Beta spectrometer
The beta spectrometer functioned as planned throughout the Gemini 10 mission. The cool temperatures that were recorded from the instrument during the mission were indicative that the evaporative cooler, coupled with apparently lower-than-expected spacecraft-adapter temperatures, maintained ideal operating conditions. The data facilitate a good analysis of the electron directional distribution. The omnidirectional flux that was calculated is apparently consistent with previous measurements. Representative electron spectra, measured during the Gemini 12 mission, established the apparent decay of the artificially injected electrons (from the Starfish high altitude nuclear test) to such low levels that natural trapped electrons were becoming detectable.
Low-energy electro- and photo-emission spectroscopy of GaN materials and devices
In hot-electron semiconductor devices, carrier transport extends over a wide range of conduction states, which often includes multiple satellite valleys. Electrical measurements can hardly give access to the transport processes over such a wide range without resorting to models and simulations. An alternative experimental approach however exists which is based on low-energy electron spectroscopy and provides, in a number of cases, very direct and selective information on hot-electron transport mechanisms. Recent results obtained in GaN crystals and devices by electron emission spectroscopy are discussed. Using near-band-gap photoemission, the energy position of the first satellite valley in wurtzite GaN is directly determined. By electro-emission spectroscopy, we show that the measurement of the electron spectrum emitted from a GaN p-n junction and InGaN/GaN light-emitting diodes (LEDs) under electrical injection of carriers provides a direct observation of transport processes in these devices. In particular, at high injected current density, high-energy features appear in the electro-emission spectrum of the LEDs showing that Auger electrons are being generated in the active region. These measurements allow us identifying the microscopic mechanism responsible for droop which represents a major hurdle for widespread adoption of solid-state lighting.
Plasma acceleration using a radio frequency self-bias effect
In this work plasma acceleration using a RF self-bias effect is experimentally studied. The experiments are conducted using a novel plasma accelerator system, called Neptune, consisting of an inductively coupled plasma source and a RF-biased set of grids. The plasma accelerator can operate in a steady state mode, producing a plasma flow with separately controlled plasma flux and velocity without any magnetic configuration. The operating pressure at the source output is as low as 0.2 mTorr and can further be decreased. The ion and electron flows are investigated by measuring the ion and electron energy distribution functions both space resolved and with different orientations with respect to the flow direction. It is found that the flow of electrons from the source is highly anisotropic and directed along the ion flow and this global flow of accelerated plasma is well localized in the plasma transport chamber. The maximum flux is about 7.5·10{sup 15} ions s{sup −1} m{sup −2} (at standard conditions) on the axis and decreasing to almost zero at a radial distances of more than 15 cm from the flow axis. Varying the RF acceleration voltage in the range 20–350 V, the plasma flow velocity can be changed between 10 and 35 km/s. The system is prospective for different technology such as space propulsion and surface modification and also interesting for fundamental studies for space-related plasma simulations and investigation of the dynamo effect using accelerated rotating plasmas.
Unique forbidden beta decays and neutrino mass
The measurement of the electron energy spectrum in single β decays close to the endpoint provides a direct determination of the neutrino masses. The most sensitive experiments use β decays with low Q value, e.g. KATRIN (tritium) and MARE (rhenium). We present the theoretical spectral shape of electrons emitted in the first, second, and fourth unique forbidden β decays. Our findings show that the Kurie functions for these unique forbidden β transitions are linear in the limit of massless neutrinos like the Kurie function of the allowed β decay of tritium.
Direct Observation of Electron Distributions Inside Millisecond Duration Electron Holes
Despite the importance of millisecond duration spatial structures [chorus wave nonlinearity or time domain structures (TDS)] to plasma dynamics, there have been no direct observations of the generation and interaction of these waves and TDS with electrons at the millisecond timescale required for their understanding. Through superposition of 0.195 ms Magnetospheric Multiscale Satellite electron measurements inside 37 superposed, millisecond duration electron holes, the first observations of electron spectra and pitch angle distributions on a submillisecond timescale have been obtained. They show that keV electrons inside the superposed electron hole are accelerated by several hundred volts and that the spectrum of electrons inside the electron hole contain several maxima and minima that are explained by a model of electron energy changes on entering the holes. We report the first observation of trapped electrons inside the TDS, in accordance with the theoretical requirement that such electrons must be present in order to form the phase space holes. Mechanisms of electron acceleration by electron holes (through perpendicular energy gain as the TDS moves into a converging magnetic field) and scattering (due to the perpendicular electric field) are discussed.
Testing Secondary Models for the Origin of Radio Mini-Halos in Galaxy Clusters
We present an MHD simulation of the emergence of a radio minihalo in a galaxy cluster core in a "secondary" model, where the source of the synchrotron-emitting electrons is hadronic interactions between cosmic-ray protons with the thermal intracluster gas, an alternative to the "reacceleration model" where the cosmic ray electrons are reaccelerated by turbulence induced by core sloshing, which we discussed in an earlier work. We follow the evolution of cosmic-ray electron spectra and their radio emission using passive tracer particles, taking into account the time-dependent injection of electrons from hadronic interactions and their energy losses. We find that secondary electrons in a sloshing cluster core can generate diffuse synchrotron emission with luminosity and extent similar to observed radio minihalos. However, we also find important differences with our previous work. We find that the drop in radio emission at cold fronts is less prominent than that in our reacceleration-based simulations, indicating that in this flavor of the secondary model the emission is more spatially extended than in some observed minihalos. We also explore the effect of rapid changes in the magnetic field on the radio spectrum. While the resulting spectra in some regions are steeper than expected from stationary conditions, the change is marginal, with differences in the synchrotron spectral index of delta(spectral index) less than approximately 0.15-0.25, depending on the frequency band. This is a much narrower range than claimed in the best-observed minihalos and produced in the reacceleration model. Our results provide important suggestions to constrain these models with future observations.
Electron Binding Energy Spectra of Al n Pt – Clusters—A Combined Experimental and Computational Study
Results of size-selected electron photo-detachment experiments and density functional theory calculations on anionic Al n Pt – , n = 1–7, clusters are presented and analyzed. The measured and calculated spectra of electron binding energies are, overall, in excellent accord with each other. The analysis reveals the general importance of accounting for the multiplicity of structural forms of a given-size cluster that can contribute to its measured spectrum, especially when the clusters are fluxional and/or the conditions of the experiment allow for structural transitions. Here, we show that for the systems studied here, the size-specific peculiarities of the measured spectra can be understood in terms of the combined contributions of corresponding different accessible stable equilibrium conformations, bona-fide transition-state configurations, and electronic-crossing structures that may play the role of effective barriers in electronically nonadiabatic dynamics.
Extraction of geometrical structure of ethylene molecules by laser-induced electron diffraction combined with ab initio scattering calculations
In this paper, we measured angle-resolved high-energy electron spectra emitted from ${\mathrm{C}}_{2}{\mathrm{H}}_{4}$ in an intense laser field, extracted field-free electron-ion elastic scattering differential cross sections (DCSs) according to quantitative rescattering theory, and obtained molecular contrast factors (MCFs) subtracting the incoherent sum of DCSs of all the atoms in the molecule. Comparing the results with ab initio scattering calculations and employing least-squares fitting, we have extracted the C-C and C-H bond lengths of the molecule with ${\sim}5$ % uncertainty. Finally, this approach opens the way to retrieve the structure of hydrocarbon molecules, potentially at high temporal resolution, employing low collision energies where electron scattering is sensitive to the hydrogen atoms; and where the independent atom model calculations may fail to reproduce the experimentally extracted MCF.
Measurement of Electron Spectrum to High Energies with the BESS-1999 Experiment
We present our preliminary electron spectra (e(-)). The data were obtained with the BESS instrument during a balloon flight from Canada in 1999. Electrons constitute less than 1% of the total cosmic radiation. However, due to their small mass they suffer severe energy loss through Bremsstrahlung radiation with the interstellar gas and, synchrotron and inverse Compton processes in galactic magnetic and radiation fields, respectively. As a result, their spectral shape is modified differently than that of nuclei during propagation. Thus, by studying the electron component one can gain additional information on the cosmic ray transport in the Galaxy. The Balloon-borne Experiment with Superconducting Spectrometer (BESS) is designed as a high-resolution spectrometer with a large geometry factor to provide accurate measurements of the galactic cosmic radiation (/Z/ is less than 3).
MAVEN Case Studies of Plasma Dynamics in Low‐Altitude Crustal Magnetic Field at Mars 1: Dayside Ion Spikes Associated With Radial Crustal Magnetic Fields
We report for the first time, simultaneous ion, electron, magnetic field vector and electric field wave measurements made possible by Mars Atmosphere and Volatile EvolutioN, during ion energy flux spikes in low‐altitude radial crustal magnetic fields on the Mars dayside. Observations show energetic electrons and ions (E > 25 eV) precipitating on magnetic field lines assumed as closed. Ions (E < 1.4 keV) display broad velocity distributions toward Mars, showing ions flowing from higher altitude possibly after magnetic reconnection or loss cone filling from pitch angle scattering effects. Precipitating ions (E < 1.4 keV) show nonadiabatic features depending on ion mass and energy and returning ions (E < 1.4 keV) show evidence of conserving the first adiabatic invariant in a mirror field. We observe magnetic field perturbations up to 60 nT, electric field wave amplitudes up to 38 mV/m, and brief periods of peaked electron spectra. At ∼175 km and at times Mars Atmosphere and Volatile EvolutioN is below the mirroring altitude of electrons, we observe mirroring and transverse heating of H+ ions alongside increased electric field wave amplitude fluctuations. It suggests field aligned potential drops result from different mirror altitudes of ions and electrons. Ions E > 1.4 keV (O+) occur as injected accelerated ion beams and ions heated after energization or deceleration. Energy dispersed kilo‐electron‐volt ions suggest a selection effect in radial magnetic fields for lower‐energy Marsward ions, compared to reflection of higher‐energy anti‐Sunward ions. Precipitating kilo‐electron‐volt ions show energy deposition rates of 3.6 ×10(exp -6) W/sq m and sputtering escape rates from precipitating O+ ions of 1.5 ×10(exp 5)/(sq cm.s) and 2.1 ×10(exp 6)/(sq cm.s) are calculated.
The effects of side-chain-induced disorder on the emission spectra and quantum yields of oligothiophene nano-aggregates. A combined experimental and MD-TDDFT study
Oligomeric thiophenes are commonly-used components in organic electronics and solar cells. These molecules stack and/or aggregate readily under the processing conditions used to form thin films for these applications, significantly altering their optical and charge-transport properties. To determine how these effects depend on the substitution pattern of the thiophene main chains, nano-aggregates of three sexi-thiophene (6T) oligomers having different alkyl substitution patterns were formed using solvent poisoning techniques and studied using steady-state and time-resolved emission spectroscopy. The results indicate the substantial role played by the side-chain substituents in determining the emissive properties of these species. Both the measured spectral changes and their dependence on substitution are well modeled by combined quantum chemistry and molecular dynamics simulations. The simulations connect the side-chain-induced disorder, which determines the favorable chain packing configurations within the aggregates, with their measured electronic spectra.