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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactions

A long-range corrected (LC) time-dependent density functional theory (TDDFT) incorporating relativistic effects with spin-orbit couplings is presented. The relativistic effects are based on the two-component zeroth-order regular approximation Hamiltonian. Before calculating the electronic excitations, we calculated the ionization potentials (IPs) of alkaline metal, alkaline-earth metal, group 12 transition metal, and rare gas atoms as the minus orbital (spinor) energies on the basis of Koopmans' theorem. We found that both long-range exchange and spin-orbit coupling effects are required to obtain Koopmans' IPs, i.e., the orbital (spinor) energies, quantitatively in DFT calculations even for first-row transition metals and systems containing large short-range exchange effects. We then calculated the valence excitations of group 12 transition metal atoms and the Rydberg excitations of rare gas atoms using spin-orbit relativistic LC-TDDFT. We found that the long-range exchange and spin-orbit coupling effects significantly contribute to the electronic spectra of even light atoms if the atoms have low-lying excitations between orbital spinors of quite different electron distributions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Surface-site-selective study of valence electronic states of a clean Si(111)-7x7 surface using Si L{sub 23}VV Auger electron and Si 2p photoelectron coincidence measurements

Valence electronic states of a clean Si(111)-7x7 surface are investigated in a surface-site-selective way using high-resolution coincidence measurements of Si pVV Auger electrons and Si 2p photoelectrons. The Si L{sub 23}VV Auger electron spectra measured in coincidence with energy-selected Si 2p photoelectrons show that the valence band at the highest density of states in the vicinity of the rest atoms is shifted by {approx}0.95 eV toward the Fermi level (E{sub F}) relative to that in the vicinity of the pedestal atoms (atoms directly bonded to the adatoms). The valence-band maximum in the vicinity of the rest atoms, on the other hand, is shown to be shifted by {approx}0.53 eV toward E{sub F} relative to that in the vicinity of the pedestal atoms. The Si 2p photoelectron spectra of Si(111)-7x7 measured in coincidence with energy-selected Si L{sub 23}VV Auger electrons identify the topmost surface components, and suggest that the dimers and the rest atoms are negatively charged while the pedestal atoms are positively charged. Furthermore, the Si 2p-Si L{sub 23}VV photoelectron Auger coincidence spectroscopy directly verifies that the adatom Si 2p component (usually denoted by C{sub 3}) is correlated with the surface state just below E{sub F} (usually denoted by S{sub 1}), as has been observed in previous angle-resolved photoelectron spectroscopy studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Partial densities of states from x-ray absorption and Auger electron spectroscopy: Use of core-hole memory

Ag L 3 edge x-ray absorption and L 3 −M 4,5 M 4,5 Auger electron spectra have been measured and simulated for a variety of x-ray electric-field polarization and Auger electron emission directions. The theory relies on density-functional theory, use of the Bethe–Salpeter equation, atomic multiplet theory, and a simplified model for the Auger line shape and its dependence on photon energy. We also demonstrate that partial densities of states for dT 2g , dE g , and sA g symmetry partial-wave channels at the Ag site in the solid can be deduced from the experimental measurements with only atomic theoretical input, i.e., with no solid-state theory other than assuming a Fermi edge.

36 MATERIALS SCIENCE↗
DOE OSTI2014

General properties of the radiation spectra from relativistic electrons moving in Langmuir turbulence

Using a numerical method, we examine the radiation spectra from relativistic electrons moving in Langmuir turbulence, which are expected to exist in high energy astrophysical objects. The spectral shape is characterized by the spatial scale λ, field strength σ, and frequency of the Langmuir waves, and in terms of frequency they are represented by ω{sub 0} = 2πc/λ, ω{sub st} = eσ/mc, and ω{sub p}, respectively. We normalize ω{sub st} and ω {sub p} by ω{sub 0} as a ≡ ω{sub st}/ω{sub 0} and b ≡ ω{sub p}/ω{sub 0}, and examine the spectral shape in the a–b plane. An earlier study based on the diffusive radiation in Langmuir turbulence (DRL) theory by Fleishman and Toptygin showed that the typical frequency is γ{sup 2}ω{sub p} and that the low frequency spectrum behaves as F {sub ω}∝ω{sup 1} for b > 1 irrespective of a. Here, we adopt the first principle numerical approach to obtain the radiation spectra in more detail. We generate Langmuir turbulence by superposing Fourier modes, injecting monoenergetic electrons, solving the equation of motion, and calculating the radiation spectra using a Lienard-Wiechert potential. We find different features from the DRL theory for a > b > 1. The peak frequency turns out to be γ{sup 2}ω{sub st}, which is higher than the γ{sup 2}ω{sub p} predicted by the DRL theory, and the spectral index of the low frequency region is not 1 but 1/3. This is because the typical deflection angle of electrons is larger than the angle of the beaming cone ∼1/γ. We call the radiation for this case 'wiggler radiation in Langmuir turbulence'.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Unraveling intrinsic correlation effects with angle-resolved photoemission spectroscopy

Interaction effects can change materials properties in intriguing ways, and they have, in general, a huge impact on electronic spectra. In particular, satellites in photoemission spectra are pure many-body effects, and their study is of increasing interest in both experiment and theory. However, the intrinsic spectral function is only a part of a measured spectrum, and it is notoriously difficult to extract this information, even for simple metals. Our joint experimental and theoretical study of the prototypical simple metal aluminum demonstrates how intrinsic satellite spectra can be extracted from measured data using angular resolution in photoemission. A nondispersing satellite is detected and explained by electron–electron interactions and the thermal motion of the atoms. Additional nondispersing intensity comes from the inelastic scattering of the outgoing photoelectron. The ideal intrinsic spectral function, instead, has satellites that disperse both in energy and in shape. Theory and the information extracted from experiment describe these features with very good agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Multi-Probe 24A Pre-Shot report

The Multi-Probe Radiography campaign will field a full day of experiments at the Omega EP laser facility. The day consists of shots alternating between Omega EP’s two short-pulse laser beams. The Backlighter beam will generate proton and deuteron beams from 500-800nm CH/CD film targets, and the Sidelighter beam will accelerate electrons to generate x-rays from 0.5mm x 25-50µm Ø Ta wire targets attached to Compound Parabolic Concentrator (CPC) cones. The ion beams shots will optimize CD foil thickness (maximizing ion energy/yield) for the transparency regime for use as the pitcher in a pitcher catcher neutron-generation platform. Several shots will include a LiF catcher within the NTA and this feeds into future neutron radiography work. X-ray shots will be used to characterize the platform established in FY2020B via measurement of electron spectra with and without the Ta wire, and radiography will be conducted at varying laser energies. This will validate PIC electron acceleration modeling while also demonstrating potential for using the x-ray platform for imaging of thicker objects.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1974

Surfaces and interfaces of glass and ceramics; Proceedings of the International Symposium on Special Topics in Ceramics, Alfred University, Alfred, N.Y., August 27-29, 1973

The characterization of surfaces and interfaces is considered along with the infrared spectra of several N-containing compounds absorbed on montmorillonites, applications of surface characterization techniques to glasses, the observation of electronic spectra in glass and ceramic surfaces, a method for determining the preferred orientation of crystallites normal to a surface, and the friction and wear behavior of glasses and ceramics. Attention is given to the wear behavior of cast surface composites, an experimental investigation of the dynamic and thermal characteristics of the ceramic stock removal process, a dynamic elastic model of ceramic stock removal, and the structure and properties of solid surfaces. Individual items are announced in this issue.

Frechette, V. D.↗
NASA NTRS1980

Electron angular distributions during charging events

The angular distribution of electrons and ions at times of spacecraft charging were examined for several charging events. Generally it was found that electrons measured perpendicular to the Earth's magnetic field are more intense and more energetic than those measured parallel to the magnetic field during charging events. During the substorm charging injection, the electron spectra harden at all angles to the magnetic field as the evolution of the charging spectra is monitored by the P78-2 satellites. An example of the onset of charging and the changes in the electron distributions is examined. The evolution of the electrons from a 'soft' plasma sheet distribution to a 'hard' charging distribution is compared with the charging of Kapton on the satellite and the spacecraft frame potential. The ions are used to determine the spacecraft potential. Evidence of periodic surface potential variations related to particle anisotropies are presented and discussed.

Fennell, J. F.↗
DOE OSTI2016

Accelerating molecular property calculations with nonorthonormal Krylov space methods

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remain small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1981

Statistical study of precipitating electrons

Energy spectra of precipitating electrons are fitted to the sum of three distributions: a power law, a Maxwellian and a Gaussian. This fitting procedure determines seven parameters which characterize the essential features of each spectrum. These characteristic parameters are used to carry out various studies involving precipitating electrons. It is shown that the absence of the power-law population from a particular spectrum is related to the softness of the precipitating primary flux, that the Maxwellian temperature and the Gaussian peak energy have a positive correlation the strength of which varies with local time, that the upward moving Gaussian population has a loss cone distribution, and that the one dimensional velocity distribution parallel to the magnetic field occasionally displays a plateau or a hump on the tail.

Fontheim, E. G.↗
NASA NTRS1984

Solar modulation of cosmic ray electrons 1978-1983

The ISEE 3 spacecraft has provided over 4 years of continuous data from nearby interplanetary space. By using these data together with prelaunch calibration data and precise electron spectra from balloon flights in 1979 and 1982 at Thompson, Manitoba, Canada, the flux level of approximately 1 GeV cosmic ray electrons with 1 month time resolution is monitored. The step-like onset of modulation observed for positive particles in 1979 is also seen in electrons, confirming that the dominant modulation mechanism is not sensitive to the charge of the particle. Hysteresis effects observed in the previous solar maximum by Burger and Swanenburg (1973) are not reproduced at the present solar maximum. A return to the relatively higher electron/proton ratios of the 1960s is a strong possibility. Conclusions must be drawn with caution, however, since the overall time structure of the present solar maximum is significantly different from that of the previous one.

Evenson, P.↗
NASA NTRS1991

On the possible source of the ionization in the nighttime Martian ionosphere. I - Phobos 2 HARP electron spectrometer measurements

The measurements of electron spectra in the Martian magnetosphere by the HARP instrument on board the Phobos 2 orbiter are presented. The energy of the electrons (a few tens of electron volts) is sufficient for the impact ionization of the planetary neutral gas, and the characteristic flux of electrons (about 10 exp 8/sq cm per sec) could produce the nightside ionospheric layer with a peak density of a few thousands of electrons per cubic centimeter, which corresponds to densities observed earlier during radio occultations of the Mars 4 and 5 and Viking 1 and 2 spacecraft. The possibility of magnetospheric electron precipitation into the nightside atmosphere of Mars is in agreement with the mainly induced nature of the magnetic field in the planetary magnetotail (as at Venus), while the variability of the Martian nightside ionosphere may be explained by the partial screening of the atmosphere by a weak intrinsic magnetic field of the planet.

Verigin, M. I.↗
DOE OSTI2011

THE ENVIRONMENT AND DISTRIBUTION OF EMITTING ELECTRONS AS A FUNCTION OF SOURCE ACTIVITY IN MARKARIAN 421

For the high-frequency-peaked BL Lac object Mrk 421, we study the variation of the spectral energy distribution (SED) as a function of source activity, from quiescent to active. We use a fully automatized {chi}{sup 2}-minimization procedure, instead of the 'eyeball' procedure more commonly used in the literature, to model nine SED data sets with a one-zone synchrotron self-Compton (SSC) model and examine how the model parameters vary with source activity. The latter issue can finally be addressed now, because simultaneous broadband SEDs (spanning from optical to very high energy photon) have finally become available. Our results suggest that in Mrk 421 the magnetic field (B) decreases with source activity, whereas the electron spectrum's break energy ({gamma}{sub br}) and the Doppler factor ({delta}) increase-the other SSC parameters turn out to be uncorrelated with source activity. In the SSC framework, these results are interpreted in a picture where the synchrotron power and peak frequency remain constant with varying source activity, through a combination of decreasing magnetic field and increasing number density of {gamma} {<=} {gamma}{sub br} electrons: since this leads to an increased electron-photon scattering efficiency, the resulting Compton power increases, and so does the total (= synchrotron plus Compton) emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

2 νββ spectrum in chiral effective field theory

We investigate two-neutrino double beta decay (2νββ) in chiral effective field theory. We find contributions from weak magnetism and double-weak pion-exchange at next-to-leading-order in the chiral power counting. We discuss the impact of the chiral corrections on the electron spectra and find that they should be included in analyses of 2νββ decay that aim to uncover new physics signatures in the electron spectrum. We illustrate this point by revisiting the effect of sterile neutrinos and non-standard charged interactions. We also find that the pion-exchange contributions involve nuclear matrix elements that are related to those appearing in neutrinoless double beta decay (0νββ). We investigate whether the 0νββ nuclear matrix elements can be obtained from detailed measurements of the energy spectrum of the outgoing electrons in 2νββ transitions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2020

The Formation of Electron Heat Flux in the Region of Diffuse Aurora

Whistler and electrostatic electron cyclotron harmonics waves are responsible for scattering and precipitating the energetic plasma sheet electrons that drive the diffuse aurora. These primary electrons with energies in the kiloelectron volt range, simultaneously precipitating in magnetically conjugate regions, produce the secondary electron population and can be reflected by the atmosphere back through the magnetosphere and precipitate into the conjugate region with additional follow‐up atmospheric backscatter. Primary, degraded, and secondary electrons can be trapped back into the magnetosphere as they travel back and forth between the two magnetically conjugate ionospheres and continuously delivering their energy to the cold plasma sheet electrons and form the electron thermal fluxes that deposit this energy at the upper ionospheric altitudes. We consider the formation of these heat fluxes focusing on the magnetosphere‐ionosphere energy interplay of the entire superthermal electron spectra from 1 eV up to 10 keV and discuss the efficiency of the different spectral energy intervals that contribute to the electron plasma heating at the magnetospheric altitudes. Our parametric studies at L = 6.8, with lower and upper band chorus whistler wave amplitudes of 10 pT and electron cyclotron harmonic wave amplitudes of 1 mVm−1, indicate the dominant role of the whistler mode in the formation of the electron heat flux coming from the magnetosphere to the ionosphere.

George V. Khazanov↗
NASA NTRS1974

Measurements of the primary cosmic ray electron spectrum from 1965 to 1972

Data on the primary electron spectrum from 5 MeV to 30 GeV are presented for a large number of balloon flights in the years 1965-1972. A new much larger area electron telescope was introduced to these studies in 1971 and the results from this new telescope are given and compared with earlier results. Detailed electron spectra are presented and the effects of solar modulation are examined over a wide energy range. The phase lag or hysteresis in the electron intensity observed after 1969 is also examined between 40 MeV and 1 GeV.

Webber, W. R.↗
NASA NTRS1975

Pioneer 10 observations of the Jovian magnetosphere - Plasma electron results

Examination of electron spectra obtained during inbound transversal of the outer Jovian magnetosphere shows a consistent peak near 4 eV where the thermal component of magnetospheric electrons is observed, corresponding to a temperature of about 50,000 K. The existence of a high beta plasma is inferred on the basis of electron and magnetic field measurements, assuming equilibrium between ions and electrons and pressure balance across the magnetophase. Observations imply the existence of thermal plasma in the outer magnetosphere which may be responsible for large-scale inflation of the outer magnetic field. It is concluded that ambient thermal plasma and photoelectrons in the outer magnetosphere will likely prevent charge buildup in spacecraft, but that it remains a possibility in the inner magnetosphere, where thermal electron measurements are obscured by high background.

Intriligator, D. S.↗