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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
NASA NTRS2010

The First Detection of (O IV) from an Ultraluminous X-Ray Source with Spitzer. 2. Evidence for High Luminosity in Holmberg II ULX

This is the second of two papers examining Spitzer Infrared Spectrograph observations of the ultraluminous X-ray source (ULX) in Holmberg II. Here, we perform detailed photoionization modeling of the infrared lines. Our analysis suggests that the luminosity and morphology of the [Oiv] 25.89 micronmeters emission line is consistent with photoionization by the soft X-ray and far ultraviolet (FUV) radiation from the accretion disk of the binary system and inconsistent with narrow beaming. We show that the emission nebula is matter bounded both in the line-of-sight direction and to the east, and probably radiation-bounded to the west. A bolometric luminosity in excess of 10(exp 40) erg s(exp -1) would be needed to produce the measured [O iv] flux. We use modeling and previously published studies to conclude that shocks likely contribute very little, if at all,to the high-ionization line fluxes observed in the Holmberg II ULX. Additionally, we find that the spectral type of the companion star has a surprisingly strong effect on the predicted strength of the [O iv] emission. This finding could explain the origin of [O iv] in some starburst systems containing black hole binaries.

GALAXIES↗
DOE OSTI2024

Infrared spectroscopy of the syn -methyl-substituted Criegee intermediate: A combined experimental and theoretical study

An IR–vacuum ultraviolet (VUV) ion-dip spectroscopy method is utilized to examine the IR spectrum of acetaldehyde oxide (CH3CHOO) in the overtone CH stretch (2νCH) spectral region. IR activation creates a depletion of the ground state population that reduces the VUV photoionization signal on the parent mass channel. IR activation of the more stable and populated syn-CH3CHOO conformer results in rapid unimolecular decay to OH + vinoxy products and makes the most significant contribution to the observed spectrum. The resultant IR–VUV ion-dip spectrum of CH3CHOO is similar to that obtained previously for syn-CH3CHOO using IR action spectroscopy with UV laser-induced fluorescence detection of OH products. The prominent IR features at 5984 and 6081 cm−1 are also observed using UV + VUV photoionization of OH products. Complementary theoretical calculations utilizing a general implementation of second-order vibrational perturbation theory provide new insights on the vibrational transitions that give rise to the experimental spectrum in the overtone CH stretch region. The introduction of physically motivated small shifts of the harmonic frequencies yields remarkably improved agreement between experiment and theory in the overtone CH stretch region. The prominent features are assigned as highly mixed states with contributions from two quanta of CH stretch and/or a combination of CH stretch with an overtone in mode 4. The generality of this approach is demonstrated by applying it to three different levels of electronic structure theory/basis sets, all of which provide spectra that are virtually indistinguishable despite showing large deviations prior to introducing the shifts to the harmonic frequencies.

Chemistry↗
DOE OSTI2024

Attosecond time delays in the body frame for photodetachment from molecular anions

Attosecond time delays in molecular photoionization at low energies are dominated by the contribution of the Coulomb phase, which diverges as the energy of the photoelectron decreases towards zero. With calculations on core-electron ejection from CN – and C 2 – we demonstrate that in photodetachment of molecular anions the absence of the long-range Coulomb interaction in the final state can reveal the delays of narrow low-energy shape resonances that do not generally occur in photoionization. Delays of several femtoseconds can be associated with such resonances. Finally, the angular dependence of photodetachment time delays in the body frame is highly sensitive to short-range anisotropies in the electron-molecule interaction as well as to the initial state.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Gas-phase synthesis of anthracene and phenanthrene via radical-radical reaction induced ring expansions

Unraveling reaction mechanisms of aromatic and resonance-stabilized radicals is critical to understanding molecular mass growth processes to polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanoparticles in distinct astrophysical environments (molecular clouds, circumstellar envelopes) and combustion systems. Using photoelectron photoion coincidence spectroscopy (PEPICO), we explored the gas-phase reaction of the methyl radical (CH 3 • ) with the aromatic and resonance-stabilized fluorenyl radical (C 13 H 9 • ) under high-temperature conditions in a chemical microreactor. Anthracene and phenanthrene were detected isomer-selectively using photoionization efficiency (PIE) curves and mass-selected threshold photoelectron (ms-TPE) spectra. While phenanthrene is produced through a radical-radical recombination of the carbon-centered radicals, anthracene may plausibly be formed through an unconventional radical addition to a low spin-density fluorenyl carbon. These pathways result in five-membered ring expansion—a critical mechanism crucial to PAH mass growth converting bent PAHs into planar nanostructures.

Goettl, Shane J. [University of Hawai‘i at Mānoa, ↗
DOE OSTI2025

Damping Wing-Like Features in the Spectra of High Redshift Quasars: a Challenge for Fully-Coupled Simulations

Recently, several observational detections of damping-wing-like features at the edges of “dark gaps” in the spectra of distant quasars (the “Malloy-Lidz effect”) have been reported, rendering strong support for the existence of “neutral islands” in the universe at redshifts as low as z<5.5. We apply the procedure from one of these works, Zhu et al 2024, to the outputs of fully coupled cosmological simulations from two recent large projects, “Cosmic Reionization On Computers” (CROC) and “Thesan”. Synthetic spectra in both simulations have statistics of dark gaps similar to observations, but do not exhibit the damping wing features. Moreover, a toy model with neutral islands added “by hand” only reproduces the observational results when the fraction of neutral islands among all dark gaps approaches 90%. I.e., simulations and observations appear to produce two distinct “populations” of dark gaps. In addition, in the simulations, the neutral islands at z=5.9 should be short-lived and should not extend to z<5.5. A plausible explanation for this discrepancy is that both simulations underestimate the fluctuations in the photoionization rate and, hence, are missing a population of long-lived neutral islands, located in the large downward fluctuations of the photoionization rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The XRISM/Resolve View of the Fe K Region of Cyg X-3

The X-ray binary system Cygnus X-3 (4U 2030+40, V1521 Cyg) is luminous but enigmatic owing to the high intervening absorption. High-resolution X-ray spectroscopy uniquely probes the dynamics of the photoionized gas in the system. In this Letter, we report on an observation of Cyg X-3 with the XRISM/Resolve spectrometer, which provides unprecedented spectral resolution and sensitivity in the 2–10 keV band. We detect multiple kinematic and ionization components in absorption and emission whose superposition leads to complex line profiles, including strong P Cygni profiles on resonance lines. The prominent Fe xxv Heα and Fe xxvi Lyα emission complexes are clearly resolved into their characteristic fine-structure transitions. Self-consistent photoionization modeling allows us to disentangle the absorption and emission components and measure the Doppler velocity of these components as a function of binary orbital phase. We find a significantly higher velocity amplitude for the emission lines than for the absorption lines. The absorption lines generally appear blueshifted by ∼−500–600 km s −1 . We show that the wind decomposes naturally into a relatively smooth and large-scale component, perhaps associated with the background wind itself, plus a turbulent, denser structure located close to the compact object in its orbit.

Audard, Marc (ORCID:000000034721034X)↗
NASA NTRS1972

Photoabsorption by ground-state alkali-metal atoms.

Principal-series oscillator strengths and ground-state photoionization cross sections are computed for sodium, potassium, rubidium, and cesium. The degree of polarization of the photoelectrons is also predicted for each atom. The core-polarization correction to the dipole transition moment is included in all of the calculations, and the spin-orbit perturbation of valence-p-electron orbitals is included in the calculations of the Rb and Cs oscillator strengths and of all the photoionization cross sections. The results are compared with recent measurements.

Weisheit, J. C.↗
NASA NTRS1972

Ionizing gas breakdown waves in strong electric fields.

A previous analysis by Albright and Tidman (1972) of the structure of an ionizing potential wave driven through a dense gas by a strong electric field is extended to include atomic structure details of the background atoms and radiative effects, especially, photoionization. It is found that photoionization plays an important role in avalanche propagation. Velocities, electron densities, and temperatures are presented as a function of electric field for both negative and positive breakdown waves in nitrogen.

Klingbeil, R.↗
NASA NTRS1973

Incompatibility of solar EUV fluxes and incoherent scatter measurements at Arecibo.

Photoionization rates have been calculated from recent solar EUV flux measurements and are compared with the electron-ion recombination rates estimated from electron density profiles and current reaction rates. These photoionization rates also provided the first step in calculating the photoelectron heating rates of the ambient electrons, which are compared with the cooling rates deduced from ion and electron temperature measurements at Arecibo. The effects of changes in the assumed neutral models, the rate coefficients, and the temperature measurements are discussed. Comparisons of the profiles of energy input and loss with similar profiles of ion production and recombination suggest that the solar EUV fluxes have been underestimated. These comparisons also imply lower molecular neutral densities in winter than in summer.

Swartz, W. E.↗
NASA NTRS1974

Formation of HO2/+/ by reaction of metastable O2/+/ ions with H2

The photoionization efficiency curves of H2(+), O2(+), and HO2(+) have been studied in a mixture of hydrogen and oxygen over the wavelength range from 650 to 810 A. The HO2(+) ion appears at 804 A, the threshold for ionization of H2, by the reaction H2(+) + O2 yields HO2(+) + H. The relative photoionization efficiency curves of H2(+) and HO2(+) are the same from 804 to 764 A. Below 764 A production of the 4 Pi u metastable electronic state of O2(+) leads to the formation of HO2(+) by the reaction O2(+)(a 4 Pi u) + H2 yields HO2(+) + H.

Ajello, J. M.↗
NASA NTRS1975

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

A summary of the angular momentum transfer formulation of the differential photoionization cross section is presented and photoionization amplitudes in LS coupling are considered. The application of the theoretical concepts and relations developed is illustrated with the aid of an example involving the calculation of the angular distribution of photoelectrons ionized from atomic sulfur according to a certain reaction. The investigation shows that anisotropic electron-ion interactions in atomic sulfur lead to measurable differences between photoelectron angular distribution asymmetry parameters corresponding to alternative ionic term levels.

Dill, D.↗
NASA NTRS1975

On the nature of the intercloud medium

Previous analyses of Copernicus observations of interstellar absorption in the spectra of unreddened stars are reviewed in the framework of steady-state ionization models for the intercloud (low-density) component of the interstellar medium. A simple homogeneous model is described which accounts for the H, C, N, S, and Si interstellar lines in the spectrum of lambda Sco in terms of an extensive low-density medium photoionized by Lyman continuum radiation from the II Sco OB association. Quantitative constraints are placed on the maximum permissible flux of diffuse soft X-rays, and the model is generalized to interpret the observed ion, electron, and hydrogen column densities in the low-density medium. Severe constraints are found to be imposed on ionization models by the ratios Si III/Si, Si IV/Si, and S IV/S. It is concluded that the observations may be explained if 10 to 30% of a representative line of sight passes through a photoionized medium of density 0.1 to 0.2/cu cm, if H I constitutes the bulk of the gas along the line of site, and if the gas is at a similar density or is in the form of shielded clumps or clouds.

Hill, J. K.↗
NASA NTRS1975

Electron impact ionization of Io's sodium emission cloud

The geometry of the sodium cloud associated with Io (Jupiter I) indicates that the lifetime of the neutral sodium atoms is an order of magnitude less than the photoionization lifetime. We suggest that ionization by thermal plasma electrons in the Jovian magnetosphere is the dominant Na loss process. Using plasma densities deduced from Pioneer 10 measurements, the lifetime and density distributions are calculated for Na and other species which may be present in the cloud around Io. Electron ionization of Na is found to be an order of magnitude faster than photoionization, in agreement with the lifetime deduced from Na cloud observations.

Carlson, R. W.↗
NASA NTRS1977

Copernicus observations of the Ap star Epsilon Ursae Majoris

Spectral scans of the Ap star Epsilon UMa made with the Copernicus satellite show strong line blanketing from profuse Cr II and Fe II lines. In the spectral region covering 1900 to 3000 A, about 500 lines are present which suppress the apparent continuum by at least 15-30%. An accurate line-identification list is compiled showing Eu II present in addition to Mn II and Ni II. The identification of Eu II, however, rests on very stringent identification limits for Fe II. If these are relaxed, the existence of Eu II is dubious. There are no broad features in this spectral region which would suggest strong photoionization discontinuities by metals, but one feature near 2137 A might contain the photoionization edge due to Cr I 5S lying 0.94 eV above the ground level. However, a significant correlation between the line-blanketing strength and the amplitude of the OAO-2 ultraviolet light curves was found such that both monotonically increase in the same proportion toward shorter wavelengths. This gives additional strength to the suggestion that variations in the metal line-blanketing cause the observed photometric variations.

Mallama, A. D.↗
NASA NTRS1977

Photoabsorption in formaldehyde

Theoretical studies of the vertical electronic dipole excitation and ionization spectra in molecular formaldehyde are reported. The investigations relied on configuration-interaction calculations and moment-theory techniques. A double-zeta basis of contracted Gaussian-lobe functions supplemented with appropriate polarization and bond functions was used to construct Fock spectra in C(2 nu) symmetry for certain states near the ground state equilibrium geometry. The ionization energies, discrete vertical transition frequencies, and oscillator strengths for occupied and vertical Fock orbitals are in general accord with experimental determinations and other theoretical calculations. Stieltjes and Chebyshev vertical electronic photoionization profiles were calculated and found to be in good agreement with appropriately averaged photoionization-mass spectrometric measurements of the cross section for parent H2CO(+) ion production.

Langhoff, P. W.↗
NASA NTRS1977

Surface photovoltage due to photo-thermo-ionization of surface states - GaAs

Surface photovoltage spectroscopy was employed for studying the mechanism of subbandgap photoionization transitions from surface states in GaAs surfaces. It was found that the photoionization cross-section exhibits a maximum for a photon energy of about 0.9 eV. This finding indicates a photo-thermal mechanism of photovoltage, i.e., photo-induced transitions between surface state levels and the subsequent thermal ejection of electrons from the upper level into the conduction band.

Morawski, A.↗
NASA NTRS1978

The structure and spectrum of a colliding-cloud system and its possible relationship to QSOs

A collision between two gas clouds with initial densities of approximately 10 million per cu cm, velocities of about 1000 km/s, and radii of approximately 1 pc is investigated quantitatively by coupling a calculation of the radiation spectrum resulting from the anticipated shock fronts with a computation for the conversion of this high-energy radiation into optical emission in adjacent photoionized regions. The detailed structure of the colliding clouds is discussed, and the effects of an ambient magnetic field are considered. The combined emission-line spectrum is presented along with continuum emission estimates for thermal, synchrotron, and very-high-energy bremsstrahlung mechanisms. It is shown that significant continua can be produced over the range from 300 microns to 3 keV, including a blackbody contribution from a high-density neutral region between the shock fronts, free-free and free-bound radiation from the cooling zones directly behind the shocks, and free-free, free-bound, and two-photon radiation from the photoionized regions immediately ahead of and behind the cooling zones. The theoretical spectrum of the structure resulting from the collision is found to be similar in general and in some details to those observed for typical quasars.

Daltabuit, E.↗
NASA NTRS1978

Vacuum ultraviolet photoelectron spectroscopy of atoms and molecules

For a complete study of the photoionization of atoms and molecules it is essential to make use of the technique of Photoelectron Spectroscopy and the continuum characteristics of synchrotron radiation. A brief review is given of the application of the above techniques in measuring partial photoionization cross sections and the angular distribution assymetry parameter beta. Selected results are given, which are compared to theoretical values.

Samson, J. A. R.↗