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At least 19 records

A Comparison of Three Neodymium Atomic Data Sets for Kilonova Modeling

We examine the impact of input neodymium (Nd) atomic data on the light curves and spectra of kilonovae (KNe), probing the sensitivity of kilonova observables to the atomic physics of this important lanthanide element. We use the SuperNu Monte Carlo radiative transfer code, simulating a simple semianalytic 1D kilonova (KN) with a pure Nd atmosphere, fixing the radiative transfer method while using input atomic data generated by three different codes: the LANL suite of atomic physics codes, HULLAC, and Autostructure. We see that the choice of atomic data significantly shapes the resulting light curves and spectra. Peak bolometric luminosities differ by a ratio of nearly 1.5 between HULLAC/Autostructure and LANL data sets. Moreover, we observe significant near- to mid-IR differences in the structure of the spectra. We specifically attribute these differences to the choice of atomic data for neutral Nd I. Many of the results here have been adapted from a presentation at “Radiative Transfer and Atomic Physics of Kilonovae” in Stockholm, 2023. We additionally present a LANL data set with energies calibrated to available values in the NIST Atomic Spectra Database, and demonstrate that this calibration also significantly affects IR spectral structure at late time. The substantial differences in KN observables that arise from tuning the atomic data of just one lanthanide element highlight the special attention that must be paid to atomic physics uncertainties when modeling KNe, from AT2017gfo to beyond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

New atomic data of O/2+/

New atomic data are tabulated for the ion O(2+). Collision strengths are calculated for several energies of the exciting electron. The populations of the levels of O(2+) are calculated as a function of electron density under conditions appropriate for the solar atmosphere. The available solar data are compared with theoretical predictions of relative line intensities.

Bhatia, A. K.↗

Uncertainties in Atomic Data and Their Propagation Through Spectral Models. I.

We present a method for computing uncertainties in spectral models, i.e., level populations, line emissivities, and emission line ratios, based upon the propagation of uncertainties originating from atomic data.We provide analytic expressions, in the form of linear sets of algebraic equations, for the coupled uncertainties among all levels. These equations can be solved efficiently for any set of physical conditions and uncertainties in the atomic data. We illustrate our method applied to spectral models of Oiii and Fe ii and discuss the impact of the uncertainties on atomic systems under different physical conditions. As to intrinsic uncertainties in theoretical atomic data, we propose that these uncertainties can be estimated from the dispersion in the results from various independent calculations. This technique provides excellent results for the uncertainties in A-values of forbidden transitions in [Fe ii]. Key words: atomic data - atomic processes - line: formation - methods: data analysis - molecular data - molecular processes - techniques: spectroscopic

linear sets↗

Atomic Data Needs for X-Ray Astronomy

This publication contains written versions of most of the invited talks presented at the workshop on Atomic Data Needs for X-ray Astronomy which was held at NASA's Goddard Space Flight Center on December 16-1 7 1999. The idea of hosting such a workshop emerged from an imminent need to update and complete current atomic datasets in anticipation of a new era of high quality X-ray spectra starting with the launching of Chandra and XMM-Newton observatories. At first, our vision of the workshop was of a short and limited attendance event, given the specialization of the topic. But it, was soon realized, from the response to the first workshop announcement, that the topic was of much interest, to researchers working in X-ray spectra (physicists and astronomers). As a result, the workshop grew to approximately 120 participants from several countries. The kind of atomic data that interests us are those parameters needed for analysis and modeling of spectra shortward of about about 100 A and relevant to ionic species of astronomical interest. The physical mechanisms of interest in the formation of spectra include photoionization. collisional ionization, recombination (radiative and dielectronic). collisional excitation (by electrons and protons). and radiative deexcitation. Unique to X-ray spectroscopy are the ionization and excitation processes from inner-closed shells. in addition to the challenges in interpret,ing the medium resolution (epsilon/delta epsilon is about 0.05 - 0.1) data obtained by current X-ray astronomy experiments. Line wavelengths are of interest too, particularly owing to the high resolution spectra from the new experiments. The workshop was divided into five major areas: Observational Spectroscopy, Theoretical Calculations of Atomic Data, Laboratory Measurements of Atomic Parameters. Spectra Modeling, and Atomic Databases. One comforting finding from the work shop is that the enthusiasm felt by X-ray astronomers about the new observational missions seems to be shared by theoretical and experimental physicists. Talks were presented about several exciting new projects and experimental and theoretical techniques devoted to X-ray spectroscopy. Simultaneously, several new tools for spectral analysis and modeling have recently been developed, together with improved atomic databases. These proceeding are expected to be of interests to producers and users of atomic data. Moreover. the contributions presented here have been written in a way that can be used by a general audience of scientists and graduate students in X-ray astronomy, modelling, and in computational and experimental atomic physics.

Kallman, Timothy↗

Atomic Data in X-Ray Astrophysics

With the launches of the Chandra X-ray Observatory (CXO) and the X-ray Multimirror Mission (XMM) and the upcoming launch of the Japanese mission ASTRO-E, high resolution X-ray spectroscopy of cosmic sources has begun. Early, deep observations of three stellar coronal sources will provide not only invaluable calibration data, but will also give us benchmarks for the atomic data under collisional equilibrium conditions. Analysis of the Chandra X-ray Observatory data, and data from other telescopes taken simultaneously, for these stars is ongoing as part of the Emission Line Project. Goals of the Emission Line Project are: (1) to determine and verify accurate and robust diagnostics and (2) to identify and prioritize issues in fundamental spectroscopy which will require further theoretical and/or laboratory work. The Astrophysical Plasma Emission Database will be described in some detail, as it is introducing standardization and flexibility into X-ray spectral modeling. Spectral models of X-ray astrophysical plasmas can be generally classified as dominated by either collisional ionization or by X-ray photoionization. While the atomic data needs for spectral models under these two types of ionization are significantly different, there axe overlapping data needs, as I will describe. Early results from the Emission Line Project benchmarks are providing an invaluable starting place, but continuing work to improve the accuracy and completeness of atomic data is needed. Additionally, we consider the possibility that some sources will require that both collisional ionization and photoionization be taken into account, or that time-dependent ionization be considered. Thus plasma spectral models of general use need to be computed over a wide range of physical conditions.

Brickhouse, N. S.↗

New atomic data for Fe/+19/

New atomic data are tabulated for Fe(+19). The electron collision strengths are calculated using the 'distorted wave' approximation and results are presented for several energies of the exciting electron. The populations of the ground levels are calculated as a function of electron density under conditions appropriate to solar flares and tokamak plasmas. Theoretical intensity ratios are tabulated for the UV lines.

Bhatia, A. K.↗

Uncertainties in Atomic Data for Modeling Astrophysical Charge Exchange Plasmas

Relevant uncertainties of theoretical atomic data are vital to determining the accuracy of plasma diagnostics in a number of areas, including, in particular, the astrophysical study. We present a new calculation of the uncertainties on the present theoretical ion-impact charge exchange atomic data and X-ray spectra, based on a set of comparisons with the existing laboratory data obtained in historical merged-beam, cold-target recoil-ion momentum spectroscopy, and electron beam ion traps experiments. The average systematic uncertainties are found to be 35–88% on the total cross sections, and 57–75% on the characteristic line ratios. The model deviation increases as the collision energy decreases. The errors on total cross sections further induce a significant uncertainty to the calculation of ionization balance for low-temperature collisional plasmas. Substantial improvements of the atomic database and dedicated laboratory measurements are needed to obtain the current models, ready for the X-ray spectra from the next X-ray spectroscopic mission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Atomic Data Needs for X-ray Astronomy

This publication contains written versions of most of the invited talks presented at the workshop on "Atomic Data Needs for X-ray Astronomy," which was held at NASA's Goddard Space Flight Center on December 16-17, 1999. The workshop was divided into five major areas: Observational Spectroscopy, Theoretical Calculations of Atomic Data, Laboratory Measurements of Atomic Parameters, Spectra Modeling, and Atomic Databases. These proceedings are expected to be of interest to producers and users of atomic data. Moreover, the contributions presented here have been written in a way that can be used by a general audience of scientists and graduate students in X-ray astronomy, modelling, and in computational and experimental atomic physics.

Bautista, Manuel A.↗

Atomization data requirements for rocket combustor modeling

The complex computer codes, which model liquid rocket combustors, require information about the distribution and atomization of these liquid reactants. The available information is, in general, of questionable validity and applicability. Authors and users of combustion codes are often unaware of, or underestimate the importance of, these deficiencies in atomization data. These deficiencies and their importance are examined. Results of analyses performed with a state-of-the-art rocket combustion code are presented which demonstrate the important effects of such atomization information as initial droplet sizes and size distribution on vaporization rate and losses. Also, the questionable aspects and inapplicability of the available atomization data are discussed. One important and often neglected or misunderstood aspect of atomization data is the differences between spatial (concentration) and flux (often called temporal) droplet size distributions. These are described, and a computer model constructed to assess the difference between concentration and flux droplet size distributions is described and results presented. Experimental data are also given to demonstrate this difference. Finally, experimental results are presented that demonstrate the very great, and often neglected effect, of the local gas velocity field on atomization.

Ferrenberg, A. J.↗

Atomic Data for the K-Vacancy States of Fe XXIV

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

Bautista, M. A.↗

Atomic Data for the K-vacancy States of Fe XXIV

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

Bautista, M. A.↗

Atomic Data for Stellar Astrophysics: from the UV to the IR

The study of stars and stellar evolution relies heavily on the analysis of stellar spectra. The need for atomic line data from the ultraviolet (UV) to the infrared (lR) regions is greater now than ever. In the past twenty years, the time since the launch of the Hubble Space Telescope, great progress has been made in acquiring atomic data for UV transitions. The optical wavelength region, now expanded by progress in detector technology, continues to provide motivation for new atomic data. In addition, investments in new instrumentation for ground-based and space observatories has lead to the availability of high-quality spectra at IR wavelengths, where the need for atomic data is most critical. In this review, examples are provided of the progress made in generating atomic data for stellar studies, with a look to the future for addressing the accuracy and completeness of atomic data for anticipated needs.

Wahlgren, Glenn M.↗

New Atomic Data for Doubly Ionized Iron Group Atoms by High Resolution UV Fourier Transform Spectroscopy

Currently available laboratory spectroscopic data of doubly ionized iron-group element were obtained about 50 years ago using spectrographs of modest dispersion, photographic plates, and eye estimates of intensities. The accuracy of the older wavelength data is about 10 mAngstroms at best, whereas wavelengths are now needed to an accuracy of 1 part in 10(exp 6) to 10(exp 7) (0.2 to 2 mAngstroms at 2000 Angstroms). The Fourier transform (FT) spectroscopy group at Imperial College, London, and collaborators at the Harvard College Observatory have used a unique VUV FT spectrometer in a program focussed on improving knowledge of spectra of many neutral and singly and doubly ionized, astrophysically important, iron group elements. Spectra of Fe II and Fe III have been recorded at UV and VUV wavelengths with signal-to-noise ratios of several hundred for the stronger lines. Wavelengths and energy levels for Fe III are an order of magnitude more accurate than previous work; analysis is close to completion. f-values for Fe II have been published.

Smith, Peter L.↗

Atomization data for spray combustion modeling

Computer models that simulate the energy release processes in spray combustion are highly dependent upon the quality of atomization data utilized. This paper presents results of analyses performed with a state-of-the-art rocket combustion code, demonstrating the important effects of initial droplet sizes and size distributions on combustion losses. Also, the questionable aspects and inapplicability of the generally available atomization data are discussed. One important and misunderstood aspect of the atomization process is the difference between spatial (concentration) and flux (temporal) droplet size distributions. These are addressed, and a computer model developed to assess this difference is described and results presented. Finally, experimental results are shown that demonstrate the often neglected effects of the local gas velocity field on the atomization process.

Ferrenberg, A. J.↗

Chandra and XMM-Newton: Atomic Data Needs For X-ray Astronomy

With the launches of the Chandra X-ray Observatory and XM M-Newton, high resolution X-ray spectra of cosmic sources are broadening our understanding of the physical conditions, such as temperature, density, Ionization state, and elemental abundances. X-ray emitting astrophysical plasmas can be generally classified by their dominant ionization mechanism, either collisional ionization or X-ray photoionization. The atomic data needs are significantly different for these two cases; however, for both cases it is important that we identify robust and accurate diagnostics and that we verify completeness of the broadband models. We discuss the status of tile atomic data currently used in atomic databases for X-ray astronomy, in view of theoretical and experimental atomic physics considerations. We will also discuss the application of these models to new astrophysical data.

Brickhouse, Nancy↗

Atomic Data and Spectral Line Intensities for Be-like Ions

Atomic data and collision rates are needed to model the spectrum of optically thin astrophysical sources. Recent observations from solar instrumentation such as SOH0 and Hinode have revealed the presence of hosts of lines emitted by high-energy configurations from ions belonging to the Be-like to the 0-like isoelectronic sequences. Data for such configurations are often unavailable in the literature. We have started a program to calculate the atomic parameters and rates for the high-energy configurations of Be-like ions of the type ls2.21.nl' where n=3,4,5. We report on the results of this project and on the diagnostic application of the predicted spectral lines.

Bhatia, Anand↗

New atomic data for Si/6+/, S/8+/ and Ar/10+/

The paper gives new atomic data, populations of excited levels, and line intensity ratios for the ions Si VII, S IX, and Ar XI of the O I isoelectronic sequence. Ten levels are included in the calculations, i.e., the levels of the 2s/2/2p/4/ and 2s2p/5/ and 2p/6/ configurations. It is noted that the calculations are done for applications to solar plasmas. The line ratios (2s/2/2p/4/3P1 - 2s2p/5/3P0) / (2s/2/2p/4/3P1 - 2s2p/5/3P1) and (2s/2/2p/4/1D2 - 2s2p/5/1P/1/) / (2s/2/2p/4/3P/1/ - 2s1p/5/3P/1/) are two of the ratios useful for electron density determination. Finally, density sensitive line ratios of Ca XIII and Fe XIX are also discussed.

Bhatia, A. K.↗

Calculation of Atomic Data for NASA Missions

The interpretation of cosmic spectra relies on a vast sea of atomic data which are not readily obtainable from analytic expressions or simple calculations. Rather, their evaluation typically requires state-of-the-art atomic physics calculations, with the inclusion of weaker effects (spin-orbit and configuration interactions, relaxation, Auger broadening, etc.), to achieve the level of accuracy needed for use by astrophysicists. Our NASA-supported research program is focused on calculating data for three important atomic processes, 1) dielectronic recombination (DR), 2) inner-shell photoabsorption, and 3) fluorescence and Auger decay of inner-shell vacancy states. Some additional details and examples of our recent findings are given.

Gorczyca, T. W.↗