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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 NTRS2008

X-Ray Spectroscopy of Photoionized Plasmas

Spectroscopy allows study of sources on small spatial scales, and can provide detailed diagnostic information about elemental abundances, temperature, density and gas dynamics. For compact sources such as accreting black holes in active galactic nuclei (AGN) and X-ray binaries X-ray spectra provide truly unique insight. Observations using Chandra and XMM have revealed components of gas in these systems which were previously unknown or poorly studied. Interpretation of these data presents modeling and analysis challenges, and requires an understanding of atomic physics, ionization and spectrum formation in a radiation-dominated environment. In this talk I will discuss examples, and how they have contributed to our understanding of accreting sources and the nearby gas.

Kallman, Tim↗
NASA NTRS2010

Modeling of Photoionized Plasmas

In this paper I review the motivation and current status of modeling of plasmas exposed to strong radiation fields, as it applies to the study of cosmic X-ray sources. This includes some of the astrophysical issues which can be addressed, the ingredients for the models, the current computational tools, the limitations imposed by currently available atomic data, and the validity of some of the standard assumptions. I will also discuss ideas for the future: challenges associated with future missions, opportunities presented by improved computers, and goals for atomic data collection.

Kallman, Timothy R.↗
NASA NTRS2011

Evidence for Ultra-Fast Outflows in Radio-Quiet AGNs: Detailed Photoionization Modeling of Fe K-Shell Absorption Lines - 2

X-ray absorption line spectroscopy has recently shown evidence for previously unknown Ultra-fast Outflows (UFOs) in radio-quiet AGNs. In the previous paper of this series we defined UFOs as those absorbers with an outflow velocity higher than 10,000km/s and assessed the statistical significance of the associated blue shifted FeK absorption lines in a large sample of 42 local radio-quiet AGNs observed with XMM-Newton. In the present paper we report a detailed curve of growth analysis and directly model the FeK absorbers with the Xstar photo-ionization code. We confirm that the frequency of sources in the radio-quiet sample showing UFOs is >35%. The outflow velocity distribution spans from \sim10,000km/s (\sim0.03c) up to \siml00,000kmis (\sim0.3c), with a peak and mean value of\sim42,000km/s (\sim0.14c). The ionization parameter is very high and in the range log\xi 3-6 erg s/cm, with a mean value of log\xi 4.2 erg s/cm. The associated column densities are also large, in the range N_H\siml0(exp 22)-10(exp 24)/sq cm, with a mean value of N_H\siml0(exp23)/sq cm. We discuss and estimate how selection effects, such as those related to the limited instrumental sensitivity at energies above 7keV, may hamper the detection of even higher velocities and higher ionization absorbers. We argue that, overall, these results point to the presence of extremely ionized and possibly almost Compton thick outflowing material in the innermost regions of AGNs. This also suggests that UFOs may potentially play a significant role in the expected cosmological feedback from AGNs and their study can provide important clues on the connection between accretion disks, winds and jets.

Tombesi, Francesco↗
NASA NTRS2012

Active Galactic Nucleus Obscuration from Winds: From Dusty Infrared-Driven to Warm and X-Ray Photoionized

We present calculations of active galactic nucleus winds at approx.parsec scales along with the associated obscuration. We take into account the pressure of infrared radiation on dust grains and the interaction of X-rays from a central black hole with hot and cold plasma. Infrared radiation (IR) is incorporated in radiation-hydrodynamic simulations adopting the flux-limited diffusion approximation. We find that in the range of X-ray luminosities L = 0.05-0.6 L(sub Edd), the Compton-thick part of the flow (aka torus) has an opening angle of approximately 72deg - 75deg regardless of the luminosity. At L > or approx. 0.1, the outflowing dusty wind provides the obscuration with IR pressure playing a major role. The global flow consists of two phases: the cold flow at inclinations (theta) > or approx.70deg and a hot, ionized wind of lower density at lower inclinations. The dynamical pressure of the hot wind is important in shaping the denser IR-supported flow. At luminosities < or = 0.1 L(sub Edd) episodes of outflow are followed by extended periods when the wind switches to slow accretion. Key words: acceleration of particles . galaxies: active . hydrodynamics . methods: numerical Online-only material: color figures

Dorodnitsyn, Anton V.↗
NASA NTRS2013

Erratum: "Photoionization Modeling of Oxygen K Absorption in the Interstellar Medium, the Chandra Grating Spectra of XTE J1817-330" (2013, Apj, 768, 60)

In the published version of this paper, there are some minor inaccuracies in the absorption-line wavelengths listed in Table 4 as a result of a faulty reduction procedure of the Obs6615 spectrum. The shifts have been detected in a comparison with the wavelengths listed for this spectrum in the Chandra Transmission Grating Catalog and Archive (TGCat8). They are due to incorrect centroid positions of the zero-order image in both reductions as determined by the tgdetect utility which, when disentangled, yield the improved line positions of the amended Table 4 given below. It must also be pointed out that other quantitative findings of the original paper: 1. Table 5, p. 9: the column density (NH), ionization parameter, oxygen abundance of the warmabs model and the normalization and photon index of the power-law model; 2. Table 6, p. 9: the hydrogen column density of the warmabs fit; 3. Table 7, p. 9: the present oxygen equivalent widths of XTE J1817-330; and 4. Table 8, p. 10: the present oxygen column densities of XTE J1817-330 derived from both the curve of growth and warmabs model fit have been revised in the new light and are, within the estimated uncertainty ranges, in good accord with the new rendering.

abundance of the warmabs↗
DOE OSTI2025

Ionization of Free and Confined Atoms and Ions (Final Technical Report)

Over the almost 22-year duration of this theoretical research project, a great deal of progress has been made in the understanding of the ionization of free and confined atomic and molecular systems along with a recent particular emphasis upon studies of the ultrafast time-delay phenomenon in the photoemission process. Our methods have emphasized the role of many-body interactions and relativistic effects in the various processes we have studied. The advances that we have made over the course of this project have been in the areas nondipole effects in the photoionization process, inner-shell photoemission from negative atomic ions, excited state photoionization of neutral atoms and positive atomic ions, Cooper minima in quadrupole photoionization, relativistic interaction in the photoionization of atoms and negative atomic ions, photoionization of the fullerene molecule C 60 along with the photoionization of atomic and molecular systems confined in the C 60 molecule, confinement resonances in endohedral atom photoemission, interchannel coupling effects in photoionization, Wigner time delay in free and confined atoms and ions, angular effects in Wigner time delay in atomic photoionization, photoionization of superheavy atoms and the influence of core relaxation on the photoionization of atomic systems, among others. In the course of this project, we have had extensive collaboration with experimentalists where we have explained the physics of numerous measurements and pointed the way to new laboratory investigations with our calculations. We have also collaborated with a number of theorists as well. Thus, owing to these many collaborations with scientists not funded by DOE, we have leveraged the DOE support rather considerably. To illustrate the depth and breadth of the theoretical investigations, listed below are the 138 refereed and invited publications that cite DOE support. These publications detail the many contributions made over the period of this project.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Attosecond delays in X-ray molecular ionization

The photoelectric effect is not truly instantaneous, but exhibits attosecond delays that can reveal complex molecular dynamics. Sub-femtosecond duration light pulses provide the requisite tools to resolve the dynamics of photoionization. Accordingly, the past decade has produced a large volume of work on photoionization delays following single photon absorption of an extreme ultraviolet (XUV) photon. However, the measurement of time-resolved core-level photoionization remained out of reach. The required x-ray photon energies needed for core-level photoionization were not available with attosecond tabletop sources. We have now measured the x-ray photoemission delay of core-level electrons, and here report unexpectedly large delays, ranging up to 700 attoseconds in NO near the oxygen K-shell threshold. These measurements exploit attosecond soft x-ray pulses from a free-electron laser (XFEL) to scan across the entire region near the K-shell threshold. Furthermore, we find the delay spectrum is richly modulated, suggesting several contributions including transient trapping of the photoelectron due to shape resonances, collisions with the Auger-Meitner electron that is emitted in the rapid non-radiative relaxation of the molecule, and multi-electron scattering effects. Finally, the results demonstrate how x-ray attosecond experiments, supported by comprehensive theoretical modelling, can unravel the complex correlated dynamics of core-level photoionization.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Overset-Grid Method with Smooth Orbital Partitioning for Molecular Scattering Calculations

To solve molecular photoionization and electron scattering problems, we use an overset-grid representation of electronic continuum functions, which has an extended central spherical grid that overlaps small spherical grids (subgrids) centered on each atom of a polyatomic molecule. Here, in this work, we present an improved algorithm that smoothly partitions the total wave function between the central grid and the atomic subgrids. The smooth partitioning allows one to use approximately one-fourth the number of partial waves on the central grid compared to our previous implementation with switching functions. The resulting numerical method for treating electron scattering and photoionization of polyatomic molecules combines the accuracy and flexibility of pure numerical grid representations with the rapid convergence of hybrid combinations of atom-centered basis-set expansions and grid methods. The overset-grid representation is implemented using the complex Kohn variational principle for scattering and photoionization amplitudes. The faster convergence with respect to the number of central grid partial waves is demonstrated and accuracy is verified by comparisons with the previous implementation and with far more computationally demanding single-center numerical expansions in electron-molecule scattering and photoionization calculations on the neon dimer (Ne 2 ) system, carbon tetrafluoride (CF 4 ) molecule, and the pyridine (C 5 H 5 N) molecule in the static-exchange approximation.

Molecules↗
NASA NTRS1986

Ultraviolet spectrophotometry of three LINERs

Three galaxies known to be LINERs were observed spectroscopically in the ultraviolet in an attempt to detect the presumed nonthermal continuum source thought to be the source of photoionization in the nuclei. NGC 4501 was found to be too faint for study with the IUE spectrographs, while NGC 5005 had an extended ultraviolet light profile. Comparison with the optical light profile of NGC 5005 indicates that the ultraviolet source is distributed spatially in the same manner as the optical starlight, probably indicating that the ultraviolet excess is due to a component of hot stars in the nucleus. These stars contribute detectable absorption features longward of 2500 A; together with optical data, the IUE spectra suggest a burst of star formation about 1 billion yr ago, with a lower rate continuing to produce a few OB stars. In NGC 4579, a point source contributing most of the ultraviolet excess is found that is much different than the optical light distribution. Furthermore, the ultraviolet to X-ray spectral index in NGC 4579 is 1.4, compatible with the UV to X-ray indices found for samples of Seyfert galaxies. This provides compelling evidence for the detection of the photoionizing continuum in NGC 4579 and draws the research fields of normal galaxies and active galactic nuclei closer together. The emission-line spectrum of NGC 4579 is compared with calculations from a photoionization code, CLOUDY, and several shock models. The photoionization code is found to give superior results, adding to the increasing weight of evidence that the LINER phenomenon is essentially a scaled-down version of the Seyfert phenomenon.

Goodrich, R. W.↗
NASA NTRS1993

Noble gases in ancient asteroidal atmospheres

Analytical and numerical results presented here suggest that acceleration of photoions by the solar wind motional field is a significant loss process for Xe on asteroids about 200 km in radius or larger, if the Xe is thermalized by its interactions with the surface. For Ar, photoion acceleration can only become important for asteroids nearly 500 km in radius. Thus photoion acceleration, previously invoked for lunar samples, could be responsible for excess fission-produced Xe found associated with solar wind Xe in howarditic meteorites. The lack of such Xe in other types of meteorites may reflect either smaller parent bodies or later times of regolith exposure. Similarly, the failure to observe solar-wind-associated radiogenic Ar-40 in meteorites is consistent with the much smaller likelihood that Ar will be photoionized.

Swindle, Timothy D.↗
DOE OSTI2026

Strong field ionization and dissociation dynamics of vinyl bromide (C 2 H 3 Br) initiated by few-cycle pulses

Photoelectron-photoion (PEPICO) and photoion-photoion (PIPICO) coincidence measurements, coupled with a few-cycle intense laser field, were employed to investigate strong field ionization/dissociation dynamics of vinyl bromide (C₂H₃Br). The angular streaking technique was used to map the recoil-frame angle-dependent ionization rates to identify ionizing orbitals. Dissociative single ionization was mainly attributed to ionizing the lower lying molecular orbitals, suggesting that direct ionization dominates with few-cycle pulses. Three dissociative double ionization channels, both prompt and delayed fragmentation, were identified. Theoretical analysis using time-dependent configuration interaction with complex absorbing potential (TDCI-CAP) and high-level electronic structure methods was performed to elucidate the underlying ionization and dissociation mechanisms.

Olowolafe, Temitayo A. [Wayne State University, De↗
DOE OSTI2025

Attosecond X-Ray Core-Level Chronoscopy of Aromatic Molecules

Attosecond photoemission or photoionization delays are a unique probe of the structure and the electronic dynamics of matter. However, the spectral congestion of valence photoelectron spectra sets fundamental limits to the complexity of systems that can be studied, and the delocalization of valence electron wave functions blurs the spatial origin of the photoelectron wave packet. Using attosecond x-ray pulses from LCLS, we demonstrate the key advantages of measuring core-level delays: The photoelectron spectra remain atomlike, the measurements become element specific, and the observed scattering dynamics originate from a pointlike source when multicenter interference effects are negligible. We exploit these unique features to reveal the effects of changing functional groups (C-H vs N) and symmetry on attosecond scattering dynamics by measuring and calculating the photoionization delays between N−1⁢𝑠 and C−1⁢𝑠 core shells of a series of aromatic azabenzene molecules. Remarkably, the delays increase with the number of nitrogen atoms in the molecule and reveal multiple resonances. We identify two previously unknown mechanisms regulating the associated attosecond dynamics, namely the enhanced confinement of the trapped wave function with the replacement of C-H groups by N atoms and the decrease of the coupling strength among the photoemitted partial waves with increasing symmetry. This study demonstrates the unique opportunities opened by measurements of core-level photoionization delays for unraveling attosecond electron dynamics in complex matter.

Ji, Jia-Bao [Eidgenoessische Technische Hochschule↗
DOE OSTI2025

On the minimum number of radiation field parameters to specify gas cooling and heating functions

Fast and accurate approximations of gas cooling and heating functions are needed for hydrodynamic galaxy simulations. We use machine learning to analyze atomic gas cooling and heating functions in the presence of a generalized incident local radiation field computed by Cloudy. We characterize the radiation field through binned radiation field intensities instead of the photoionization rates used in our previous work. We find a set of 6 energy bins whose intensities exhibit relatively low correlation. We use these bins as features to train machine learning models to predict Cloudy cooling and heating functions at fixed metallicity. We compare the relative SHapley Additive exPlanation (SHAP) value importance of the features. From the SHAP analysis, we identify a feature subset of 3 energy bins (0.5-1, 1-4, and 13-16Ry) with the largest importance and train additional models on this subset. We compare the mean squared errors and distribution of errors on both the entire training data table and a randomly selected 20% test set withheld from model training. The machine learning models trained with 3 and 6 bins, as well as 3 and 4 photoionization rates, have comparable accuracy everywhere, with errors ≳10 times smaller than for the interpolation table of Gnedin and Hollon (2012). We conclude that 3 energy bins (or 3 analogous photoionization rates: molecular hydrogen photodissociation, neutral hydrogen HI, and fully ionized carbon CVI) are sufficient to characterize the dependence of the gas cooling and heating functions on our assumed incident radiation field model.

79 ASTRONOMY AND ASTROPHYSICS↗