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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Angular distribution of Auger electrons due to 3d-shell ionization of krypton

Cross sections for electron impact ionization of krypton due to ejection of a 3rd shell electron have been calculated using screened hydrogenic and Hartree-Slater wave functions for target atom. While the total ionization cross sections in the two approximations are within 10% of each other, the Auger electron angular distribution, related to cross sections for specific magnetic quantum numbers of the 3rd electrons, is widely different in the two approximations. The angular distribution due to Hartree-Slater approximation is in excellent agreement with measurement. The physical reason for the discrepancies in the two approximations is explained.

Omidvar, K.↗
NASA NTRS1985

The kinetic energy spectrum of protons produced by the dissociative ionization of H2 by electron impact

The kinetic energy spectra of protons resulting from the dissociative ionization of H2 by electron impact have been measured for electron impact energies from threshold (approximately 17 eV) to 160 eV at 90 deg and 30 deg detection angles, using a crossed-beam experimental arrangement. To check reliability, two separate proton energy analysis methods have been employed, i.e., a time-of-flight proton energy analysis and an electrostatic hemispherical energy analyzer. The present results are compared with previous measurements.

Khakoo, M. A.↗
DOE OSTI2022

Femtosecond intramolecular rearrangement of the CH 3 NCS radical cation

Strong-field ionization, involving tunnel ionization and electron rescattering, enables femtosecond time-resolved dynamics measurements of chemical reactions involving radical cations. Here, we compare the formation of CH 3 S + following the strong-field ionization of the isomers CH 3 SCN and CH 3 NCS. The former involves the release of neutral CN, while the latter involves an intramolecular rearrangement. Here, we find the intramolecular rearrangement takes place on a single picosecond timescale and exhibits vibrational coherence. Density functional theory and coupled-cluster calculations on the neutral and singly ionized species help us determine the driving force responsible for intramolecular rearrangement in CH 3 NCS. Our findings illustrate the complexity that accompanies radical cation chemistry following electron ionization and demonstrate a useful tool for understanding cation dynamics after ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

Non-Maxwellian velocity distribution functions associated with steep temperature gradients in the solar transition region. Paper 2: The effect of non-Maxwellian electron distribution functions on ionization equilibrium calculations for carbon, nitrogen and oxygen

Non-Maxwellian electron velocity distribution functions, previously computed for Dupree's model of the solar transition region are used to calculate ionization rates for ions of carbon, nitrogen, and oxygen. Ionization equilibrium populations for these ions are then computed and compared with similar calculations assuming Maxwellian distribution functions for the electrons. The results show that the ion populations change (compared to the values computed with a Maxwellian) in some cases by several orders of magnitude depending on the ion and its temperature of formation.

Roussel-Dupre, R.↗
NASA NTRS2024

Improved Chemistry and Attenuation Models for Communication Blackout Simulation During Mars 2020 Entry

As a blunt body enters a planetary atmosphere, a plasma forms in the hypersonic shock layer and attenuates radio communication causing signal blackout for some duration of the entry sequence. In our previous work,1 computational fluid dynamics (CFD) was applied to model the entry flow around the Mars 2020 spacecraft, including ionization and electron density throughout the flow field, and predict ultra-high frequency (UHF) radio wave attenuation due to electrons. In total, 17 chemical species and their spatial profiles are modelled around the Mars 2020 spacecraft at 11 different points in time during entry. Although the simulation predicted the onset of attenuation well, the timing of the end of the predicted blackout window significantly preceded the end time observed during the 2021 landing. The present work seeks to improve the attenuation model by accounting for the fact that electrons undergo collisions with heavier species in the flow, which is an effect that was neglected in previous analyses. It is determined that including electron collisions increases the overall magnitude of attenuation predicted especially towards the end of the measured attenuation period, improving qualitative agreement between predicted and measured attenuation to both spacecraft receiving the signal from Mars 2020. To explore the remaining uncertainty in signal attenuation predictions further, a sensitivity study is performed to investigate the impact of associative ionization and electron-impact ionization rate coefficients on the electron density predicted by CFD and on the resulting attenuation predictions. These coefficients are believed to contain up to order-of-magnitude uncertainty, and therefore may significantly affect the number density of electrons throughout the flow field. Variations in associative ionization coefficients demonstrate significant impact on the magnitude of attenuation due to variation in the electron density coming from associative ionization. However, the start and end times of the predicted signal attenuation period are only slightly impacted by said variation.

Eve Papajak↗
NASA NTRS2024

Improved Chemistry and Attenuation Models for Communication Blackout Simulation During Mars 2020 Entry

As a blunt body enters a planetary atmosphere, a plasma forms in the hypersonic shock layer and attenuates radio communication causing signal blackout for some duration of the entry sequence. In our previous work,1 computational fluid dynamics (CFD) was applied to model the entry flow around the Mars 2020 spacecraft, including ionization and electron density throughout the flow field, and predict ultra-high frequency (UHF) radio wave attenuation due to electrons. In total, 17 chemical species and their spatial profiles are modelled around the Mars 2020 spacecraft at 11 different points in time during entry. Although the simulation predicted the onset of attenuation well, the timing of the end of the predicted blackout window significantly preceded the end time observed during the 2021 landing. The present work seeks to improve the attenuation model by accounting for the fact that electrons undergo collisions with heavier species in the flow, which is an effect that was neglected in previous analyses. It is determined that including electron collisions increases the overall magnitude of attenuation predicted especially towards the end of the measured attenuation period, improving qualitative agreement between predicted and measured attenuation to both spacecraft receiving the signal from Mars 2020. To explore the remaining uncertainty in signal attenuation predictions further, a sensitivity study is performed to investigate the impact of associative ionization and electron-impact ionization rate coefficients on the electron density predicted by CFD and on the resulting attenuation predictions. These coefficients are believed to contain up to order-of-magnitude uncertainty, and therefore may significantly affect the number density of electrons throughout the flow field. Variations in associative ionization coefficients demonstrate significant impact on the magnitude of attenuation due to variation in the electron density coming from associative ionization. However, the start and end times of the predicted signal attenuation period are only slightly impacted by said variation.

Eve Papajak↗
NASA NTRS1966

Vainshtein Method Applied to Electron Impact Excitation and Ionization of Atoms.

In most calculations on inelastic collision of electrons with atoms there has been a general lack of agreement with observation mainly due to the treatment of the interelectronic interaction as a perturbation. In a recent calculation by Vainshtein et al., full account is given to this interaction by treating the problem as a binary collision between the incident and atomic electrons with the motion of their center of mass in the Coulomb field of the nucleus, and marked improvement in comparison of theory and observation has resulted. Three approximations are applied in this calculation which will be described briefly.

COLLISION↗
DOE OSTI2023

Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: IV. Vibrationally-resolved ionization of the ground and excited electronic states

Here, we present a comprehensive set of vibrationally-resolved cross sections for electron-impact ionization of molecular hydrogen and its isotopologues (H 2 , D 2 , T 2 , HD, HT, and DT) in both the ground and excited electronic states. We apply the adiabatic-nuclei molecular convergent close-coupling (MCCC) method to calculate cross sections from threshold to 1000 eV for ionization of the ground and excited vibrational levels of the X 1 Σ$^{+}_{g}$, B 1 Σ$^{+}_{u}$, C 1 π u , EF 1 Σ$^{+}_{g}$, a 3 Σ$^{+}_{g}$, and c 3 π u electronic states, representing all states with united-atoms-limit principle quantum number n=1–2. The cross sections are presented in graphical form and provided as both numerical values and analytic fit functions in supplementary data files. The data can also be downloaded from the MCCC database at mccc-db.org.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Femtosecond Electronic and Hydrogen Structural Dynamics in Ammonia Imaged with Ultrafast Electron Diffraction

Directly imaging structural dynamics involving hydrogen atoms by ultrafast diffraction methods is complicated by their low scattering cross-sections. Here we demonstrate that megaelectronvolt ultrafast electron diffraction is sufficiently sensitive to follow hydrogen dynamics in isolated molecules. In a study of the photodissociation of gas phase ammonia, we simultaneously observe signatures of the nuclear and corresponding electronic structure changes resulting from the dissociation dynamics in the time-dependent diffraction. Both assignments are confirmed by ab initio simulations of the photochemical dynamics and the resulting diffraction observable. While the temporal resolution of the experiment is insufficient to resolve the dissociation in time, our results here represent an important step towards the observation of proton dynamics in real space and time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Uncovering extreme nonlinear dynamics in solids through time-domain field analysis

Time-domain analysis of harmonic fields with sub-cycle resolution is now experimentally viable due to the emergence of sensitive, on-chip techniques for petahertz-scale optical-field sampling. We demonstrate how such a time-domain, field-resolved analysis uncovers the extreme nonlinear electron dynamics responsible for high-harmonic generation within solids. Time-dependent density functional theory was used to simulate harmonic generation from a solid-state band-gap system driven by near- to mid-infrared waveforms. Particular attention was paid to regimes where both intraband and interband emission mechanisms play a critical role in shaping the nonlinear response. We show that a time-domain analysis of the harmonic radiation fields identifies the interplay between intra- and interband dynamical processes underlying the nonlinear light generation. With further analysis, we show that changes to the dominant emission regime can occur after only slight changes to the peak driving intensity and central driving wavelength. Furthermore, time-domain analysis of harmonic fields also reveals, for the first time, the possibility of rapid changes in the dominant emission mechanism within the temporal window of the driving pulse envelope. Finally, we examine the experimental viability of performing time-domain analysis of harmonic fields with sub-cycle resolution using realistic parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1977

Angular distribution of Auger electrons due to 3d-shell impact ionization of krypton

Cross sections for electron impact ionization of krypton due to ejection of a 3d-shell electron have been calculated using screened hydrogenic and Hartree-Slater wavefunctions for the target atom. While the total ionization cross sections in the two approximations are within 10% of each other, the Auger electron angular distribution, related to cross sections for specific magnetic quantum numbers of the 3d electrons, are widely different in the two approximations. The angular distribution due to the Hartree-Slater approximation is in excellent agreement with measurement. The physical reason for the discrepancies in the two approximations is explained.

Omidvar, K.↗
DOE OSTI2020

Determination of effective attenuation length of slow electrons in polymer films

Slow electrons (with energy below 10 eV) play an important role in nature and technology. For instance, they are believed to initiate solubility change in extreme ultraviolet resists. Depending on their mobility, such secondary electrons can lead to image blur and degradation of patterning resolution. Hence, it is important to characterize the transport of slow electrons by measuring parameters such as the effective attenuation length (EAL). In this work, we present a technique that allows for prompt characterization of EAL in polymer films. In this experiment, slow electrons are generated in a substrate upon absorption of x-ray photons. The attenuation of electron flux by a polymer film is measured as a function of film thickness, allowing for the determination of EAL for slow electrons. We illustrate this method with poly(hydroxy styrene) and poly(methyl metacrylate) films. Furthermore, we propose an improvement for this technique that would enable the measurement of EAL as a function of electron kinetic energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Understanding how minority relativistic electron populations may dominate charge state balance and radiative cooling of a post-thermal quench tokamak plasma

Minority relativistic electron populations can occur in a range of complex plasmas. Of specific interest is when runaway electrons form among the presence of high-atomic-number ion species in a tokamak plasma discharge. It has been recently demonstrated that ion charge state distributions and radiation losses at low bulk electron temperatures can be dominated by relativistic electrons, even though their density is orders of magnitude lower. Furthermore, this was attributed to the relativistic enhancement of electron impact inelastic cross sections. In this work, we provide a closer inspection of the atomic physics underpinning this effect. We also demonstrate the consequences of runaway enhanced scattering on post-disruption tokamak fusion discharges with neon and argon impurities present. Effects on charge state distributions, radiation and spectral characteristics, and reduced-order modeling considerations are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Low-temperature breakdown of many-body perturbation theory for thermodynamics

It is shown analytically and numerically that the finite-temperature many-body perturbation theory in the grand canonical ensemble has zero radius of convergence at zero temperature when the energy ordering or degree of degeneracy for the ground state changes with the perturbation strength. When the degeneracy of the reference state is partially or fully lifted at the first-order Hirschfelder-Certain degenerate perturbation theory, the grand potential and internal energy diverge as T → 0. Contrary to earlier suggestions of renormalizability by the chemical potential μ, this nonconvergence, first suspected by W. Kohn and J. M. Luttinger, is caused by the nonanalytic nature of the Boltzmann factor e –E/k e T at T = 0, also plaguing the canonical ensemble, which does not involve chemical potential. The finding reveals a fundamental flaw in perturbation theory, which is deeply rooted in the mathematical limitation of power-series expansions and is unlikely to be removed within its framework.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Linear polarization fractions of Fulcher- α fluorescence in electron collisions with H 2

We apply the molecular convergent close-coupling method to the calculation of linear polarization fractions for Fulcher-band fluorescence following electron-impact excitation of the H 2 d 3 Π u state. Furthermore, the results exhibit the opposite threshold behavior compared to the only previous calculations, but are in agreement with the most recent measurements for the Q(1), R(1), and Q(3) transitions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗