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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

High-performance Generic Neutrino Detection in a LArTPC near the Earth's Surface with the MicroBooNE Detector

Large Liquid Argon Time Projection Chambers (LArTPCs) are being increasingly adopted in neutrino oscillation experiments because of their superb imaging capabilities through the combination of both tracking and calorimetry in a fully active volume. Active LArTPC neutrino detectors at or near the Earth's surface, such as the MicroBooNE experiment, present a unique analysis challenge because of the large flux of cosmic-ray muons and the slow drift of ionization electrons. We present a novel Wire-Cell-based high-performance generic neutrino-detection technique implemented in MicroBooNE. The cosmic-ray background is reduced by a factor of 1.4$\times10^{5}$ resulting in a 9.7% cosmic contamination in the selected neutrino candidate events, for visible energies greater than 200~MeV, while the neutrino signal efficiency is retained at 88.4% for $\nu_{\mu}$ charged-current interactions in the fiducial volume in the same energy region. This significantly improved performance compared to existing reconstruction algorithms, marks a major milestone toward reaching the scientific goals of LArTPC neutrino oscillation experiments operating near the Earth's surface.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1963

Tabulated Values of Bond Dissociation Energies, Ionization Potentials, and Electron Affinities for Some Molecules Found in High-Temperature Chemical Reactions

Values of the bond dissociation energies, ionization potentials, and electron affinities that were taken from the literature are presented in tables for some monatomic, diatomic, and polyatomic molecules which are found in many high-temperature chemical reactions including combustion reactions. Much of the information came from literature published after 1950 which either reported experimental and theoretical energy values or gave a review of previous literature on the subject. In some cases values for the bond dissociation energies were calculated from recently published heats of formation.

IONIZATION POTENTIAL↗
DOE OSTI2021

Calibration of the liquid argon ionization response to low energy electronic and nuclear recoils with DarkSide-50

DarkSide-50 has demonstrated the high potential of dual-phase liquid argon time projection chambers in exploring interactions of WIMPs in the GeV=c 2 mass range. The technique, based on the detection of the ionization signal amplified via electroluminescence in the gas phase, allows us to explore recoil energies down to the sub-keV range. We report here on the DarkSide-50 measurement of the ionization yield of electronic recoils down to ~180 eV er , exploiting 37 Ar and 39 Ar decays, and extrapolated to a few ionization electrons with the Thomas-Imel box model. Further, we present a model-dependent determination of the ionization response to nuclear recoils down to ~500 eV nr , the lowest ever achieved in liquid argon, using in situ neutron calibration sources and external datasets from neutron beam experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

The effect of electron temperature and impact ionization on Martian return AOTV flowfields

Various electron impact ionization models in conjunction with a quasi-equilibrium electron temperature model have been investigated and applied to the stagnation region of a hypothetical 2.3 m nose radius Martian return AOTV. For the conditions considered, U = 12 km/sec at 80 km, both multi-temperature inviscid and viscous results indicate that a two-step ionization impact model predicts ionization distances in agreement with experimental data, that nonequilibrium chemistry and radiation effects are important throughout the stagnation zone, and that the quasi-equilibrium electron temperature model is reasonable. Also, using a non-grey emission-absorption radiation step model, it is shown that nonequilibrium causes a reduction in radiative heating from that predicted for equilibrium conditions and that compared to an adiabatic wall a cool wall (1650 deg K) results in a 28 to 45 percent reduction in radiative heating due to absorption near the wall.

Carlson, Leland A.↗
DOE OSTI2025

All-electron molecular tunnel ionization based on the weak-field asymptotic theory in the integral representation

Tunnel ionization (TI) underlies many important ultrafast processes, such as high-harmonic generation andstrong-field ionization. Among the existing theories for TI, many-electron weak-field asymptotic theory (ME-WFAT) is by design capable of accurately treating many-electron effects in TI. An earlier version of ME-WFATrelied on an accurate representation of the asymptotic tail of the orbitals, which hindered its implementation inGaussian-basis-set-based quantum chemistry programs. In this work, we reformulate ME-WFAT in the integralrepresentation, which makes the quality of the asymptotic tail much less critical, hence greatly facilitating itsimplementation in standard quantum chemistry packages. The integral reformulation introduced here is thereforemuch more robust when applied to molecules with arbitrary geometry. Here, we present several case studies, amongwhich is the CO molecule where some earlier theories disagree with experiments. Here we find that ME-WFATproduces the largest ionization probability when the field points from C to O, as experiments suggest. Anattractive feature of ME-WFAT is that it can be used with various types of multielectron methods whether ofdensity functional or multiconfiguration types, this inturn facilitates tunnel ionization calculation in systems exhibiting a strong multireference character.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1976

Ionization by energetic electrons in the midlatitude nighttime E region

Observations of the electron density profile and flux of energetic electrons obtained in two rocket flights at Wallops Island near midnight are presented. The ionization rates of the upper E region deduced from the electron density profiles are found to support the dependence on Kp established in previous observation. Calculations of the ionization rates using the observed electron fluxes show agreement with the values derived from the electron density profiles.

Smith, L. G.↗
NASA NTRS1978

Field ionization kinetic and electron impact studies of gas phase transition states - The cyclic bromonium ion

Cis- and trans-isomers of 4-t-butylcyclohexyl bromide were studied to determine the mechanism of cyclic bromonium ion formation. The field ionization kinetic and electron impact data indicate that the formation of the cyclic structure occurs simultaneously with loss of the neutral fragment. The data also show that little or no gas-phase cis-trans isomerization occurs.

Green, M. M.↗
DOE OSTI2026

Effects of screening and pressure ionization on the electron broadening of spectral lines in dense plasmas

Collisions between electrons and radiating atoms broaden spectral absorption and emission lines in dense plasmas. High densities also introduce screening and pressure ionization effects that distort the wave functions of both bound and free electrons. In order to study how dense plasma effects influence the electron broadening of spectral lines, this paper incorporates electron wave functions from an average-atom (AA) model to calculate the linewidth of the B III 2⁢𝑝−2⁢𝑠 transition at 𝑇 = 10 eV for mass densities ranging from 𝜌 = 10 −4 to 0.4⁢ g⁡/cc. The calculation method uses the impact approximation, allowing the linewidth to be written in terms of electron-collision cross sections and an interference term. Compared to an otherwise identical calculation that uses Coulomb free wave functions, the AA method is found to modify both the cross sections and the resulting linewidth at sufficiently high density by introducing screening and pressure-ionized bound states. Screening lowers the cross sections at low energies and near electron excitation thresholds, while pressure-ionized bound states introduce resonances into the continuum. Thus, as the density increases, the relative linewidth between the AA and Coulomb calculations follows a general decrease because of screening, with sharp increases at various intervals due to pressure ionization. Finally, the AA results are also compared with a common approach to introduce screening through the interaction potential and reduced models that use the Bethe formula for the inelastic electron-collision cross sections.

electronic excitation & ionization↗
NASA NTRS2005

Electron-impact total ionization cross sections of DNA sugar-phosphate backbone and an additivity principle

The improved binary-encounter dipole (iBED) model [W.M. Huo, Phys. Rev. A64, 042719-1 (2001)l is used to study the total ionization cross sections of the DNA sugar-phosphate backbone by electron impact. Calculations using neutral fragments found that the total ionization cross sections of C3' - and C5', -deoxyribose-phospate, two conformers of the sugar-phosphate backbone, are close to each other. Furthermore, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3' - and C5" -deoxyribose-phospate cross sections, differing by less than 10%. The result implies that certain properties of the-DNA, like the total singly ionization cross section, are localized properties and a building-up or additivity principle may apply. This allows us to obtain accurate properties of larger molecular systems built up from the results of smaller subsystem fragments. Calculations are underway using a negatively charged sugar-phosphate backbone with a metal counter-ion.

Huo, Winifred M.↗
DOE OSTI2024

Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities

Abstract The GW approximation has become an important tool for predicting charged excitations of isolated molecules and condensed systems. Its popularity can be attributed to many factors, including a favorable scaling and relatively good accuracy. In practical applications, the GW is often performed as a one-shot perturbation known as G 0 W 0 . Unfortunately, G 0 W 0 suffers from a strong starting point dependence and is often not as accurate as one would need. Self-consistent GW methodologies alleviate these problems but come with a marked increase in computational cost. In this manuscript, we propose the use of an estimate of the exchange-correlation derivative discontinuity to provide a remarkably good starting point for G 0 W 0 calculations, yielding ionization potentials and electron affinities with eigenvalue self-consistent GW quality at no additional cost. We assess the quality of the resulting methodology with the GW 100 benchmark set and compare its advantages over other similar methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

The ionosphere of Titan and its interaction with Saturnian magnetospheric electrons

The interaction of superthermal electrons, including both magnetospheric electrons and photoelectrons, with the upper atmosphere and ionosphere of Titan, is studied using a two stream electron transport code. Ionization rates, electron heating rates, and airglow emission rates are calculated. Results of a one dimensional model of the ionosphere of Titan, which includes both photoionization and ionization by magnetospheric electrons, are presented. Preliminary calculations of ionospheric ion outflow down the wake (or tail) of Titan, for time periods when the wake region is illuminated by the Sun, are made.

Cravens, Thomas E.↗
DOE OSTI2025

Calibration and simulation of ionization signal and electronics noise in the ICARUS liquid argon time projection chamber

The ICARUS liquid argon time projection chamber (LArTPC) neutrino detector has been taking physics data since 2022 as part of the Short-Baseline Neutrino (SBN) Program. This paper details the equalization of the response to charge in the ICARUS time projection chamber (TPC), as well as data-driven tuning of the simulation of ionization charge signals and electronics noise. The equalization procedure removes non-uniformities in the ICARUS TPC response to charge in space and time. This work leverages the copious number of cosmic ray muons available to ICARUS at the surface. The ionization signal shape simulation applies a novel procedure that tunes the simulation to match what is measured in data. The end result of the equalization procedure and simulation tuning allows for a comparison of charge measurements in ICARUS between Monte Carlo simulation and data, showing good performance with minimal residual bias between the two.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2002

Dissociative Ionization of Benzene by Electron Impact

We report a theoretical study of the dissociative ionization (DI) of benzene from the low-lying ionization channels. Our approach makes use of the fact that electron motion is much faster than nuclear motion and DI is treated as a two-step process. The first step is electron-impact ionization resulting in an ion with the same nuclear geometry as the neutral molecule. In the second step the nuclei relax from the initial geometry and undergo unimolecular dissociation. For the ionization process we use the improved binary-encounter dipole (iBED) model. For the unimolecular dissociation step, we study the steepest descent reaction path to the minimum of the ion potential energy surface. The path is used to analyze the probability of unimolecular dissociation and to determine the product distributions. Our analysis of the dissociation products and the thresholds of the productions are compared with the result dissociative photoionization measurements of Feng et al. The partial oscillator strengths from Feng et al. are then used in the iBED cross section calculations.

Huo, Winifred↗
DOE OSTI2026

Bond Dissociation Energy, Ionization Energy, and Electronic Structure of Thorium Dimer

Diatomic thorium, Th 2 , has been investigated using a laser ablation, supersonic expansion source to produce the molecule and resonant two-photon ionization spectroscopy to measure its bond dissociation energy (BDE) and ionization energy (IE). The molecule has a high density of states in the vicinity of its bond dissociation energy, leading to rapid predissociation as soon as this energy is exceeded. The BDE is identified from this predissociation threshold as D 0 (Th 2 ) = 2.857(7) eV, where the assigned error limit is provided in parentheses in units of the last quoted digit. Similarly, the one-photon ionization threshold has been measured, providing the ionization energy IE(Th 2 ) = 5.042(4) eV. Together with a thermochemical cycle and the atomic ionization energy, these values provide the BDE of the cation, giving D 0 (Th 2 + ) = 4.122(8) eV. Computations show that Th 2 has three nearly degenerate low-lying electronic states (1 3 Σ u + , 1 1 Σ g + , and 1 3 Δ g ) with bonding dominated by 7s and 6d orbitals, indicating predominantly transition-metal-like behavior. The 1 3 Σ u + state exhibits a triple bond, whereas the 1 1 Σ g + and 1 3 Δ g states possess quadruple-bond character and correspondingly shorter bonds. Although 1 3 Σ u + is predicted to be the lowest state without spin–orbit coupling, the large spin–orbit stabilization of the 1 3 Δ g state makes its Ω = 1 g component the ground state. Furthermore, the calculated dissociation energy (2.840 eV) and ionization energy of Th 2 (5.098 eV) are both in excellent agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Simulation of a Miniature, Low-Power Time-of-Flight Mass Spectrometer for In Situ Analysis of Planetary Atmospheres

We are implementing nano- and micro-technologies to develop a miniaturized electron impact ionization mass spectrometer for planetary science. Microfabrication technology is used to fabricate the ion and electron optics, and a carbon nanotube (CNT) cathode is used to generate the ionizing electron beam. Future NASA planetary science missions demand miniaturized, low power mass spectrometers that exhibit high resolution and sensitivity to search for evidence of past and present habitability on the surface and in the atmosphere of priority targets such as Mars, Titan, Enceladus, Venus, Europa, and short-period comets. Toward this objective, we are developing a miniature, high resolution reflectron time-of-flight mass spectrometer (Mini TOF-MS) that features a low-power CNT field emission electron impact ionization source and microfabricated ion optics and reflectron mass analyzer in a parallel-plate geometry that is scalable. Charged particle electrodynamic modeling (SIMION 8.0.4) is employed to guide the iterative design of electron and ion optic components and to characterize the overall performance of the Mini TOF-MS device via simulation. Miniature (less than 1000 cubic centimeters) TOF-MS designs (ion source, mass analyzer, detector only) demonstrate simulated mass resolutions greater than 600 at sensitivity levels on the order of 10(exp -3) cps/molecule N2/cc while consuming 1.3 W of power and are comparable to current spaceflight mass spectrometers. Higher performance designs have also been simulated and indicate mass resolutions approximately 1000, though at the expense of sensitivity and instrument volume.

King, Todd T.↗
NASA NTRS1993

Atmospheric energy input and ionization by energetic electrons during the geomagnetic storm of 8-9 November 1991

The Atmospheric X-ray Imaging Spectrometer (AXIS) of the Particle Environment Monitor investigation aboard the Upper Atmosphere Research Satellite monitors energy input to the upper atmosphere due to energetic electrons. Analysis of the AXIS data from the major geomagnetic storm of 8-9 November 1991 is presented. During the November storm, electrons above a few keV flowing into a substantially expanded auroral zone provided the bulk of the ionizing power to the upper atmosphere. At the peak of the disturbance the total AXIS-observed power reached 40 GW. On 9 November the whole day average atmospheric ionization rate in the auroral zone at 80 km altitude exceeded the rate due to solar UV and solar X-rays by a factor of over 10 to 100.

Chenette, D. L.↗