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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Software Displays Data on Active Regions of the Sun

The Solar Active Region Display System is a computer program that generates, in near real time, a graphical display of parameters indicative of the spatial and temporal variations of activity on the Sun. These parameters include histories and distributions of solar flares, active region growth, coronal mass ejections, size, and magnetic configuration. By presenting solar-activity data in graphical form, this program accelerates, facilitates, and partly automates what had previously been a time-consuming mental process of interpretation of solar-activity data presented in tabular and textual formats. Intended for original use in predicting space weather in order to minimize the exposure of astronauts to ionizing radiation, the program might also be useful on Earth for predicting solar-wind-induced ionospheric effects, electric currents, and potentials that could affect radio-communication systems, navigation systems, pipelines, and long electric-power lines. Raw data for the display are obtained automatically from the Space Environment Center (SEC) of the National Oceanic and Atmospheric Administration (NOAA). Other data must be obtained from the NOAA SEC by verbal communication and entered manually. The Solar Active Region Display System automatically accounts for the latitude dependence of the rate of rotation of the Sun, by use of a mathematical model that is corrected with NOAA SEC active-region position data once every 24 hours. The display includes the date, time, and an image of the Sun in H light overlaid with latitude and longitude coordinate lines, dots that mark locations of active regions identified by NOAA, identifying numbers assigned by NOAA to such regions, and solar-region visual summary (SRVS) indicators associated with some of the active regions. Each SRVS indicator is a small pie chart containing five equal sectors, each of which is color-coded to provide a semiquantitative indication of the degree of hazard posed by one aspect of the activity at the indicated location. The five aspects in question are the history of solar flares, the history of coronal mass ejections, the growth or decay of activity, the overall size, and the magnetic configuration. Mouse-clicking on an active-region-marking dot, SRVS indicator, or NOAA region number causes the program to generate a solar-region summary table (SRT) for the active region in question. The SRT contains additional quantitative and qualitative data, beyond those contained in the SRVS: These data include the solar coordinates of the region, the area of the region and its change in area during the past 24 hours, the change in the number of sunspots in the region during the past 24 hours, the magnetic configuration, and the types, dates, and times of the most recent flare and coronal mass ejection.

Golightly, Mike↗
NASA NTRS2016

Growth and Saturation of Ion Acoustic Waves in Hall Thrusters

In this paper we present for the first time a conjecture that the electron transport in Hall thrusters is controlled by ion acoustic waves in two distinct ion populations. The first, and largest population, is the main beam, an ion fluid generated upstream of the Acceleration Region. These ions experience electrons with largest ExB drift, but because beam ions have been heated during the ionization process, Landau damping limits the growth of ion acoustic waves. The second population is composed of ions generated at low potentials farther downstream that don’t thermalize with the fast moving ion beam. The existence of this separate population has been recognized for decades as the source of the high angle ions in Hall thruster plumes. Because these ions aren’t heated and have velocities much different from main beam ions, the amplitude of ion acoustic waves in this population is not Landau damped and grows to saturation. Scattering from these waves reduces the Hall parameter in the near plume where slow ions make up a significant fraction of the population.

Katz, Ira↗
DOE OSTI2024

ASMS 2024 Investigation of Uranyl Perchlorate Anion Complexes in the Gas Phase via Infrared Multiphoton Dissociation and Collision Induced Dissociation

Investigation of Uranyl Perchlorate Anion Complexes in the Gas Phase via Infrared Multiphoton Dissociation and Collision Induced Dissociation Brittany D. M. Hodges, Christopher A. Zarzana, JungSoo Kim, Jonathan Martens, and W. C. M. Berden Introduction (120 words max) Effects of electronic structure on chemical bonding and reactivity play critical roles shaping the chemical bonding and reactivity behaviors of heavy elements. Understanding the role of f electrons in bond formation between the actinide-series elements like uranium with other ligands is critical for solving technical challenges associated with these heavy elements, important to nuclear fuel cycles, efficient separations of rare earth metals, and understanding the chemistry of stored nuclear fuels and related environmental management sites. In this study, we further examine the interactions between uranyl and the perchlorate ion in order to understand the structures of these ions through the use of IRMPD. Here we report the IRMPD spectra of [UO2(ClO4)3]-, [UO3(ClO4)2]-, and a proposed transition state. Methods (120 word max) IRMPD spectra and CID spectra were acquired using a Bruker amaZon QIT/MS instrument at the Free-Electron Lasers for Infrared eXperiments (FELIX) laboratory at Radboud University. The FELIX QIT/MS is modified to allow for the high-intensity tunable IR beam from FELIX to be directed into the ion packet, resulting in multiphoton dissociation that is measured only when the IR frequency is in resonance with an adequately high absorption vibrational mode of the mass-selected complex. DFT geometry optimizations and frequency calculations using the Gaussian suite of programs were performed using B3LYP, TPSSh, and PBE0 level of theory with 6-31+G(d) basis for the O, C, H, and N atoms and the SDD basis set for U. The SDD basis set employs the Stuttgart/Dresden effective core potential. Preliminary Data or Plenary Speakers Abstract (300 words max) Metal ion clusters of uranyl perchlorate were formed via direct electrospray ionization. For each metal ligand complex of interest, the parent ion was isolated and collision induced dissociation fragmentation and Infrared Multiphoton Dissociation (IRMPD) fragmentation spectra were acquired. Results presented here are the first look at the IRMPD spectra of [UO3(ClO4)2]-, [UO2(ClO4)3]-. Structures were examined using Gaussian at different levels of theory B3LYP level of theory, TPPSh and PBE0 levels, to reflect the behaviors of uranium metal ligand complexes most accurately. In these structures, we identified an overlap between each of these uranyl stretches resulting in their largely being obscured by a perchlorate mode. The CID product spectra agree with similar structures reported by Groenewold for uranyl nitrate in 2006 (10.1021/ja058106n).

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

Electron energy distributions in the extended gas nebulae associated with high-z AGN: Maxwell–Boltzmann versus κ distributions

ABSTRACT Emission line observations together with photoionization models provide important information about the ionization mechanisms, densities, temperatures, and metallicities in active galactic nuclei (AGN)-ionized gas. Photoionization models usually assume Maxwell–Boltzmann (M–B) electron energy distributions (EED), but it has been suggested that using κ distributions may be more appropriate and could potentially solve the discrepancies in temperatures and abundances found in HII regions and planetary nebulae. We consider the impact of the presence of κ distributions in photoionized nebulae associated with AGN and study how this might affect spectral modelling and abundance analyses for such regions. Using the photoionization code MAPPINGS 1e, we compute models adopting M–B and κ distributions of electron energies and compare the behaviour of emission line ratios for different values of κ, gas metallicity, density, ionization parameter, and SED slope. We find that the choice of EED can have a large impact on some UV and optical emission lines emitted by photoionized nebulae associated with AGN, and that the impact of adopting a κ distribution is strongly dependent on gas metallicity and ionization parameter. We compile a sample of line ratios for 143 type 2 AGN and compare our models against the observed line ratios. We find that for 98 objects, κ distributions provide a better fit to the observed line ratios than M–B distributions. In addition, we find that adopting κ-distributed electron energies results in significant changes in the inferred gas metallicity and ionization parameter in a significant fraction of objects.

Morais, S. G. (ORCID:0000000200927813)↗
DOE OSTI2015

The determination of potential energy curve and dipole moment of the (5)0{sup +} electronic state of {sup 85}Rb{sup 133}Cs molecule by high resolution photoassociation spectroscopy

We present the formation of ultracold {sup 85}Rb{sup 133}Cs molecules in the (5)0{sup +} electronic state by photoassociation and their detection via resonance-enhanced two-photon ionization. Up to v = 47 vibrational levels including the lowest v = 0 vibrational and lowest J = 0 levels are identified with rotationally resolved high resolution photoassociation spectra. Precise Dunham coefficients are determined for the (5)0{sup +} state with high accuracy, then the Rydberg-Klein-Rees potential energy curve is derived. The electric dipole moments with respect to the vibrational numbers of the (5)0{sup +} electronic state of {sup 85}Rb{sup 133}Cs molecule are also measured in the range between 1.9 and 4.8 D. These comprehensive studies on previously unobserved rovibrational levels of the (5)0{sup +} state are helpful to understand the molecular structure and discover suitable transition pathways for transferring ultracold atoms to deeply bound rovibrational levels of the electronic ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Improved Cr ii log(gf) values and abundance determinations in the photospheres of the sun and metal-poor star HD 84937

New emission branching fraction (BF) measurements for 183 lines of the second spectrum of chromium (Cr ii) and new radiative lifetime measurements from laser-induced fluorescence for 8 levels of Cr{sup +} are reported. The goals of this study are to improve transition probability measurements in Cr ii and reconcile solar and stellar Cr abundance values based on Cr i and Cr ii lines. Eighteen spectra from three Fourier Transform Spectrometers supplemented with ultraviolet spectra from a high-resolution echelle spectrometer are used in the BF measurements. Radiative lifetimes from this study and earlier publications are used to convert the BFs into absolute transition probabilities. These new laboratory data are applied to determine the Cr abundance log ε in the Sun and metal-poor star HD 84937. The mean result in the Sun is 〈logε(Cr II)〉 = 5.624 ± 0.009 compared to 〈logε(Cr I)〉 = 5.644 ± 0.006 on a scale with the hydrogen abundance log ε(H) = 12 and with the uncertainty representing only line-to-line scatter. A Saha (ionization balance) test on the photosphere of HD 84937 is also performed, yielding 〈logε(Cr II)〉 = 3.417 ± 0.006 and 〈log ε(Cr i, lower level excitation potential E. P. > 0 eV)〉 = 3.374 ± 0.011 for this dwarf star. We find a correlation of Cr with the iron-peak element Ti, suggesting an associated nucleosynthetic production. Four iron-peak elements (Cr along with Ti, V, and Sc) appear to have a similar (or correlated) production history—other iron-peak elements appear not to be associated with Cr.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2003

Radiation Transport Properties of Potential In Situ-Developed Regolith-Epoxy Materials for Martian Habitats

Mission crews in space outside the Earth s magnetic field will be exposed to high energy heavy charged particles in the galactic cosmic radiation (GCR). These highly ionizing particles will be a source of radiation risk to crews on extended missions to the Moon and Mars, and the biological effects of and countermeasures to the GCR have to be investigated as part of the planning of exploration-class missions. While it is impractical to shield spacecraft and planetary habitats against the entire GCR spectrum, biological and physical studies indicate that relatively modest amounts of shielding are effective at reducing the radiation dose. However, nuclear fragmentation in the shielding materials produces highly penetrating secondary particles, which complicates the problem: in some cases, some shielding is worse than none at all. Therefore the radiation transport properties of potential shielding materials need to be carefully investigated. One intriguing option for a Mars mission is the use of material from the Martian surface, in combination with chemicals carried from Earth and/or fabricated from elements found in the Martian atmosphere, to construct crew habitats. We have measured the transmission properties of epoxy-Martian regolith composites with respect to heavy charged particles characteristic of the GCR ions which bombard the Martian surface. The composites were prepared at NASA Langley Research Center using simulated Martian regolith, in the process also evaluating fabrication methods which could lead to technologies for in situ fabrication on Mars. Initial evaluation of the radiation shielding properties is made using radiation transport models developed at NASA-LaRC, and the results of these calculations are used to select the composites with the most favorable radiation transmission properties. These candidates are then evaluated at particle accelerators which produce beams of heavy charged particles representative in energy and charge of the radiation at the surface of Mars. The ultimate objective is to develop the models into a design tool for use by mission planners, flight surgeons and radiation health specialists.

Miller, Jack↗
DOE OSTI2016

Revisiting radiative deep-level transitions in CuGaSe{sub 2} by photoluminescence

Recent defect calculations suggest that the open circuit voltage of CuGaSe{sub 2} solar cells can be limited by deep intrinsic electron traps by Ga{sub Cu} antisites and their complexes with Cu-vacancies. To gain experimental evidence, two radiative defect transitions at 1.10 eV and 1.24 eV are characterized by steady-state photoluminescence on epitaxial-grown CuGaSe{sub 2} thin films. Cu-rich samples are studied, since they show highest crystal quality, exciton luminescence, and no potential fluctuations. Variations of the laser intensity and temperature dependent measurements suggest that emission occurs from two deep donor-like levels into the same shallow acceptor. At 10 K, power-law exponents of 1 (low excitation regime) and 1/2 (high excitation regime) are observed identically for both transitions. The theory and a fitting function for the double power law is derived. It is concluded that the acceptor becomes saturated by excess carriers which changes the exponent of all transitions. Activation energies determined from the temperature quenching depend on the excitation level and show unexpected values of 600 meV and higher. The thermal activation of non-radiative processes can explain the distortion of the ionization energies. Both the deep levels play a major role as radiative and non-radiative recombination centers for electrons and can be detrimental for photovoltaic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Enhanced n-body annihilation of dark matter and its indirect signatures

We examine the possible indirect signatures of dark matter annihilation processes with a non-standard scaling with the dark matter density, and in particular the case where more than two dark matter particles participate in the annihilation process. We point out that such processes can be strongly enhanced at low velocities without violating unitarity, similar to Sommerfeld enhancement in the standard case of two-body annihilation, potentially leading to visible signals in indirect searches. We study in detail the impact of such multi-body annihilations on the ionization history of the universe and consequently the cosmic microwave background, and find that unlike in the two-body case, the dominant signal can naturally arise from the end of the cosmic dark ages, after the onset of structure formation. We examine the complementary constraints from the Galactic Center, Galactic halo, and galaxy clusters, and outline the circumstances under which each search would give rise to the strongest constraints. We also show that if there is a population of ultra-compact dense dark matter clumps present in the Milky Way with sufficiently steep density profile, then it might be possible to detect point sources illuminated by multi-body annihilation, even if there is no large low-velocity enhancement. Finally, we provide a case study of a model where 3-body annihilation dominates the freezeout process, and in particular the resonant regime where a large low-velocity enhancement is naturally generated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Critical Assessment of Photoionization Efficiency Measurements for Characterization of Soot-Precursor Species

We present a critical evaluation of photoionization efficiency (PIE) measurements coupled with aerosol mass spectrometry for the identification of condensed soot-precursor species extracted from a premixed atmospheric-pressure ethylene/oxygen/nitrogen flame. Definitive identification of isomers by any means is complicated by the large number of potential isomers at masses likely to comprise particles at flame temperatures. This problem is compounded using PIE measurements by the similarity in ionization energies and PIE-curve shapes among many of these isomers. Nevertheless, PIE analysis can provide important chemical information. For example, our PIE curves show that neither pyrene nor fluoranthene alone can describe the signal from C 16 H 10 isomers and that coronene alone cannot describe the PIE signal from C 24 H 12 species. A linear combination of the reference PIE curves for pyrene and fluoranthene yields good agreement with flame-PIE curves measured at 202 u, which is consistent with pyrene and fluoranthene being the two major C 16 H 10 isomers in the flame samples, but does not provide definite proof. The suggested ratio between fluoranthene and pyrene depends on the sampling conditions. We calculated the values of the adiabatic-ionization energy (AIE) of 24 C 16 H 10 isomers. Despite the small number of isomers considered, the calculations show that the differences in AIEs between several of the isomers can be smaller than the average thermal energy at room temperature. The calculations also show that PIE analysis can sometimes be used to separate hydrocarbon species into those that contain mainly aromatic rings and those that contain significant aliphatic content for species sizes investigated in this study. Our calculations suggest an inverse relationship between AIE and the number of aromatic rings. We have demonstrated that further characterization of precursors can be facilitated by measurements that test species volatility.

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

Spin–orbit coupling of electrons on separate lanthanide atoms of Pr 2 O 2 and its singly charged cation

Although it plays a critical role in the photophysics and catalysis of lanthanides, spin–orbit coupling of electrons on individual lanthanide atoms in small clusters is not well understood. The major objective of this work is to probe such coupling of the praseodymium (Pr) 4f and 6s electrons in Pr 2 O 2 and Pr 2 O 2 +. The approach combines mass-analyzed threshold ionization spectroscopy and spin–orbit multiconfiguration second-order quasi-degenerate perturbation theory. The energies of six ionization transitions are precisely measured; the adiabatic ionization energy of the neutral cluster is 38 045 (5) cm –1 . Most of the electronic states involved in these transitions are identified as spin–orbit coupled states consisting of two or more electron spins. The electron configurations of these states are 4f 4 6s 2 for the neutral cluster and 4 f 46 s for the singly charged cation, both in planar rhombus-type structures. Finally, the spin–orbit splitting due to the coupling of the electrons on the separate Pr atoms is on the order of hundreds of wavenumbers.

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

Fermi-Löwdin-orbital self-interaction correction using the optimized-effective-potential method within the Krieger-Li-Iafrate approximation

Perdew-Zunger self-interaction correction (PZ-SIC) offers a route to remove self interaction errors on an orbital-by-orbital basis. A recent formulation of PZ-SIC by Pederson, Ruzsinszky and Perdew proposes restricting the unitary transformation to localized orbitals called Fermi-Löwdin orbitals. This formulation, called the FLOSIC method, simplifies PZ-SIC calculations and was implemented self-consistently using a Jacobi-like (FLOSIC-Jacobi) iteration scheme. In this work we implement the FLOSIC approach using the Krieger-Li-Iafrate (KLI) approximation to the optimized effective potential (OEP). We compare the results of present FLOSIC-KLI approach with FLOSIC-Jacobi scheme for atomic energies, atomization energies, ionization energies, barrier heights, polarizability of chains of hydrogen molecules etc. to validate the FLOSIC-KLI approach. The FLOSICKLI approach, which is within the realm of Kohn-Sham theory, predicts smaller energy gaps between frontier orbitals due to the lowering of eigenvalues of the lowest unoccupied orbitals. Results show that atomic energies, atomization energies, ionization energy as an absolute of highest occupied orbital eigenvalue, and polarizability of chains of hydrogen molecules between the two methods agree within 2%. Lastly the FLOSIC-KLI approach is used to determine the vertical ionization energies of water clusters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Spectra of Double Acceptors in Layers of Barriers and Quantum Wells of HgTe/CdHgTe Heterostructures

The states of double acceptors in HgTe/СdHgTe heterostructures containing quantum wells are theoretically investigated taking into account the substantial difference in the values of the permittivities of the barrier and quantum-well layers. The effect of such a difference and the charge induced at the heterointerfaces arising from it are described with the image-charge potential. Calculation shows a significant change in the binding energy of the acceptor centers—mercury vacancies due to the induced charge; the ionization energies of mercury vacancies are in good agreement with the position of the spectral features in the photoluminescence spectrum of the HgTe/CdHgTe heterostructures containing quantum wells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Reinforced AEM Separators Based on Triblock Copolymers for Electrode-decoupled RFBs

Washington University in St. Louis (WUSTL), in collaboration with The University of Texas at San Antonio (UTSA) and Giner Inc. developed highly selective anion exchange membranes (AEMs) and a novel electrode-decoupled redox flow battery (RFB) for grid scale energy storage as part of the ARPA-E IONICS program (with connections to the DAYS program in the later part of the project). RFBs exhibit the crucial characteristic of system-level decoupled scaling of energy and power which makes them cost effective for the multi-GWh scales envisioned for grid-scale energy storage solutions. This has led to extensive (and deserved) research interest and attention. This project aimed to enhance the design space available for redox-flow batteries (RFBs) by enabling the long-term separation of disparate cationic (elemental) actives using a highly selective membrane separator, while concurrently permitting the transport of anions to balance charge. The approach proposed was to design and develop a highly selective anion-exchange membrane (AEM), which would in turn permit the design and development of electrode-decoupled RFBs. Pairs of (different element) cationic species with redox reactions exhibiting a large difference in their standard electrode potentials were identified to develop high voltage, high power RFBs while disrupting the existing paradigm of using a single element which can ionize to more than two soluble oxidation states (e.g.: Vanadium).

25 ENERGY STORAGE↗
NASA NTRS1985

Experimental performance of a microwave cavity plasma disk ion source

The detailed description and performance characteristics of a microwave ion source are presented. This ion source utilizes an internally tuned, single-mode (or selective multimode) cylindrical cavity applicator to focus and match microwave energy into a disk-shaped discharge zone. The combination of mode focus control and variable, internal cavity matching allows the efficient operation and beam extraction over a wide range of pressures, powers and gaseous inputs. Experimental measurements of ion beam current versus accelerating voltage and input microwave power in xenon and oxygen gas are presented. Ion source specific energy and mass utilization versus experimental variables are also determined. The experimental performance demonstrates the ability of this ion source to extract an ion beam with a well matched, stable, and continuous operation over a wide range of input gases, low pressures, and over input gas flow rates in excess of 100 to a few sccm. Double Langmuir probe measurements in xenon gas indicate high degrees of ionization, and electron and ion concentrations in excess of 100 critical densities in the microwave discharge zone. This ion source has many potential uses such as spacecraft electric propulsion, material ion beam processing, and neutral beam ion sources.

Root, J.↗
NASA NTRS1985

Review of recent laboratory double layer experiments

Recent laboratory measurements of double layers are reviewed. Most experiments that are considered employed triple plasma devices or Q-machines. It is shown that a variety of both one and three dimensional phenomena have been achieved. Stationary one and three dimensional structures consist of monotonic double layers, very weak, weak, strong and very strong double layers with potential steps e(phi)/T(e) equal to about 1, less than, greater than, and much greater than 10, respectively. Multiple double layers consist of structures with large potential dips on the low potential side and stairstep double layers. Two and three dimensional structures include multiple double layers, which resemble U shaped double layers, and ionization produced strong double layers. Moving double layers include ion acoustic double layers and double layers which are the result of drifting species and mismatches at plasma boundaries. It appears that double layers can be BGK solutions or related to turbulence. Double layer creation can occur in a variety of different ways. Ionization can sometimes be important and sometimes play no role at all.

Hershkowitz, N.↗
NASA NTRS1987

Past and future of radio occultation studies of planetary atmospheres

Measurements of radio waves that have propagated through planetary atmospheres have provided exploratory results on atmospheric constituents, structure, dynamics, and ionization for Venus, Mars, Titan, Jupiter, Saturn, and Uranus. Highlights of past results are reviewed in order to define and illustrate the potential of occultation and related radio studies in future planetary missions.

Eshleman, Von R.↗
NASA NTRS1990

SEPAC data analysis in support of the environmental interaction program

Injections of nonrelativistic electron beams from an isolated equipotential conductor into a uniform background of plasma and neutral gas were simulated using a two dimensional electrostatic particle code. The ionization effects of spacecraft charging are examined by including interactions of electrons with neutral gas. The simulations show that the conductor charging potential decreases with increasing neutral background density due to the production of secondary electrons near the conductor surface. In the spacecraft wake, the background electrons accelerated towards the charged space craft produced an enhancement of secondary electrons and ions. Simulations run for longer times indicate that the spacecraft potential is further reduced and short wavelength beam-plasma oscillations appear. The results are applied to explain the space craft charging potential measured during the SEPAC experiments from Spacelab 1. A second paper is presented in which a two dimensional electrostatic particle code was used to study the beam radial expansion of a nonrelativistic electron beam injected from an isolated equipotential conductor into a background plasma. The simulations indicate that the beam radius is generally proportional to the beam electron gyroradius when the conductor is charged to a large potential. The simulations also suggest that the charge buildup at the beam stagnation point causes the beam radial expansion. From a survey of the simulation results, it is found that the ratio of the beam radius to the beam electron gyroradius increases with the square root of beam density and decreases inversely with beam injection velocity. This dependence is explained in terms of the ratio of the beam electron Debye length to the ambient electron Debye length. These results are most applicable to the SEPAC electron beam injection experiments from Spacelab 1, where high charging potential was observed.

Lin, Chin S.↗