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Photoionization and High Density Gas
We present results of calculations using the XSTAR version 2 computer code. This code is loosely based on the XSTAR v.1 code which has been available for public use for some time. However it represents an improvement and update in several major respects, including atomic data, code structure, user interface, and improved physical description of ionization/excitation. In particular, it now is applicable to high density situations in which significant excited atomic level populations are likely to occur. We describe the computational techniques and assumptions, and present sample runs with particular emphasis on high density situations.
Vii. New Kr IV - VII Oscillator Strengths and an Improved Spectral Analysis of the Hot, Hydrogen-deficient Do-type White Dwarf RE 0503-289
For the spectral analysis of high-resolution and high signal-to-noise (SN) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims. New Krivvii oscillator strengths for a large number of lines enable us to construct more detailed model atoms for our NLTEmodel-atmosphere calculations. This enables us to search for additional Kr lines in observed spectra and to improve Kr abundance determinations. Methods. We calculated Krivvii oscillator strengths to consider radiative and collisional bound-bound transitions in detail in our NLTE stellar-atmosphere models for the analysis of Kr lines that are exhibited in high-resolution and high SN ultraviolet (UV)observations of the hot white dwarf RE 0503.
FePt binary alloy with 32 atoms - LSMS-3 data
This dataset contains the estimate of atomic charge density, atomic magnetic moment and total energy for 32,000 configurations of the iron-platinum (FePt) binary alloy with body-centered cubic (BCC) structure. The configurations span all the compositions from 0%Fe - 100% Pt through 100%Fe - 0% Pt. The results have been produced running ab-initio density functional theory (DFT) calculations with the LSMS-3 code on OLCF supercomputer Titan. LSMS-3 GitHub repository: https://github.com/mstsuite/lsms Deep Learning research papers published with results based on this dataset: Fast and stable deep-learning predictions of material properties for solid solution alloys Massimiliano Lupo Pasini, Ying Wai Li, Junqi Yin, Jiaxin Zhang, Kipton Barros and Markus Eisenbach Published 14 December 2020 • © 2020 IOP Publishing Ltd Journal of Physics: Condensed Matter, Volume 33, Number 8 Citation Massimiliano Lupo Pasini et al 2021 J. Phys.: Condens. Matter 33 084005 https://iopscience.iop.org/article/10.1088/1361-648X/abcb10
CuAu binary alloy with 32 atoms - LSMS-3 data
This dataset contains the estimate of atomic charge density, atomic magnetic moment and total energy for 32,000 configurations of the iron-platinum (CuAu) binary alloy with face-centered cubic (FCC) structure. The configurations span all the compositions from 0%Cu - 100% Au through 100%Cu - 0% Au. The results have been produced running ab-initio density functional theory (DFT) calculations with the LSMS-3 code on OLCF supercomputer Titan. LSMS-3 GitHub repository: https://github.com/mstsuite/lsms Deep Learning research papers published with results based on this dataset: Fast and stable deep-learning predictions of material properties for solid solution alloys Massimiliano Lupo Pasini, Ying Wai Li, Junqi Yin, Jiaxin Zhang, Kipton Barros and Markus Eisenbach Published 14 December 2020. 2020 IOP Publishing Ltd Journal of Physics: Condensed Matter, Volume 33, Number 8 Citation Massimiliano Lupo Pasini et al 2021 J. Phys.: Condens. Matter 33 084005 https://iopscience.iop.org/article/10.1088/1361-648X/abcb10
Si II emission line diagnostics
The present study compares ratios of Si II UV emission lines in a variety of objects with computations based on recently published collisional data of Dufton and Kingston (1991). A high-quality spectrum of Alpha Tau (K5 III) obtained by Carpenter et al. (1991) is analyzed using the G270M mode of the GHRS on the HST, in addition to high-dispersion data from Skylab and IUE. Agreement between observation and theory is satisfactory for most lines. A blend with a line of Ni II accounts partially for the discrepancies and solves a problem with semiforbidden S II emission measures. Disagreement exists between certain observed flux ratios and computed values using recent atomic data for the intersystem lines. The discrepancy is most significant for Alpha Tau. The computed atomic collision strengths within the intersystem multiplet itself are argued as a possible cause of the discrepancy.
Circuit-Based Leakage-to-Erasure Conversion in a Neutral-Atom Quantum Processor
Atom-loss errors are a major limitation of current state-of-the-art neutral-atom quantum computers and pose a significant challenge for scalable systems. In a quantum processor with cesium atoms, we demonstrate proof-of-principle circuit-based conversion of this form of leakage error to erasure errors via leakage-detection units (LDUs), which nondestructively map information about the presence or absence of the qubit onto the state of an ancilla. We benchmark the performance of the LDU using a three-outcome low-loss state-detection method and find that the LDU detects atom-loss errors with approximately 93.4% accuracy, limited by technical imperfections of our apparatus. We further compile and execute a SWAP LDU, wherein the roles of the original data atom and ancilla atom are exchanged under the action of the LDU, providing “free refilling” of atoms in the case of atom loss. This circuit-based leakage-to-erasure error conversion is a critical component of a neutral-atom quantum processor where the quantum information may significantly outlive the lifetime of any individual atom in the quantum register. Finally, we demonstrate that LDUs may also be used to handle other forms of leakage errors where population moves to states outside of the computational subspace.
Spectroscopy Made Easy: A New Tool for Fitting Observations with Synthetic Spectra
We describe a new software package that may be used to determine stellar and atomic parameters by matching observed spectra with synthetic spectra generated from parameterized atmospheres. A nonlinear least squares algorithm is used to solve for any subset of allowed parameters, which include atomic data (log gf and van der Waals damping constants), model atmosphere specifications (T(sub eff, log g), elemental abundances, and radial, turbulent, and rotational velocities. LTE synthesis software handles discontiguous spectral intervals and complex atomic blends. As a demonstration, we fit 26 Fe I lines in the NSO Solar Atlas (Kurucz et al.), determining various solar and atomic parameters.
On the calculation of atomic term populations
The usefulness of calculations on model atomic term systems which can give spectral multiplet intensities is emphasized, in contrast to more detailed level calculations which are not always feasible because of lack of appropriate atomic data. A more general expression for the multiplet radiative transition rate is proposed to facilitate term representations. The differences between term and level representations are discussed quantitatively with respect to a model three-level atom and real examples of the C III and Ne IV ions. It is shown that term representations fail at lower densities when level inverse lifetimes within terms differ by only a few orders of magnitude. In such cases one must resort to other methods; a hybrid calculation is therefore proposed to fill this need and is carried out for the C III ion to demonstrate its feasibility and validity.
A comparison of theoretical CIV emission line strengths with active region observations obtained with the solar EUV rocket telescope and spectrograph (SERTS)
Theoretical line ratios involving 2s 2S - 3p 2P, 2p 2p - 3s 2S, and 2p 2S - 3d 2D transitions in C IV between 312 and 420 A are presented. A comparison of these with solar active region observational data obtained during a rocket flight by the Solar EUV Rocket Telescope and Spectrograph (SERTS) reveals good agreement between theory and experiment, with discrepancies that average only 22 percent. This provides experimental support for the accuracy of the atomic data adopted in the line ratio calculations, and also resolves discrepancies found previously when the theoretical results were compared with solar data from the S082A instrument on board Skylab. The potential usefulness of the C IV line ratios as electron temperature diagnostics for the solar transition region is briefly discussed.
Opacity project - Astrophysical and fusion applications
An overview is presented of a project to calculate large quantities of accurate atomic data for radiative processes of importance in the precise determination of opacities in stellar atmospheres, and for astrophysical and laboratory applications in general. Work is in progress on the oscillator strengths, photoionization cross sections, damping constants, etc., for all atoms and ions in hydrogen through neon isoelectronic sequences going up to iron.
Unlocking the Sun's Secrets: Laboratory Insights into the Sun's Outer Atmosphere
The Sun’s corona, its outermost and hottest atmospheric layer, emits brightly in the extreme ultraviolet (EUV) and X-rays. This emission comes from atoms that have been highly ionized by the high temperature, forming a plasma of atomic ions and free electrons. By studying this light, scientists learn about the complex and dynamic drivers of solar activity. Many past, current, and future solar observatories focus on measuring EUV spectra from the Fe IX ion, as this ion provides powerful diagnostics for solar physics. Using Fe IX spectra, solar physicists can measure the plasma temperature, density, elemental abundances, and flow velocities in the corona. However, atomic data uncertainties concerning spectral line identification and plasma density diagnostics are a major problem for the accurate interpretation of these spectra.
New model of iron spectra in the extreme ultraviolet and application to SERTS and EUV observations: A solar active region and capella
We report new predictions for the EUV spectral emission of FeIX-FeXXIV, based on data now available from the Solar EUV Rocket Telescope and Spectrograph (SERTS) and the Extreme Ultraviolet Explorer (EUVE) spectrometers. The iron spectral emission model is the first result of a larger effort to revise the Raymond & Smith model and to update the atomic rates. We present here predicted emissivities for selected densities and temperatures applicable to various astrophysical plasmas. Comparisons of our predicted spectra with two recent observations provide important tests of the atomic data. They also test to some extent some basic assumptions of coronal emission codes: optically thin spectral lines and ionization equilibrium.
Coronal abundances in solar active regions measured by the Solar Maximum Mission flat crystal spectrometer
High resolution soft X-ray spectra acquired by the Flat Crystal Spectrometer (FCS) on solar Maximum Mission provide an excellent data base to study the relative abundances of O, Ne, Mg, and Fe in solar active regions. The FCS data show significant variability for all combinations of these elements. The largest variation occurs for Fe:Ne, which shows region to region changes of up to a factor of 7, and frequent factor of 2 variations in day to day samples of a given region. The atomic data and the ionization balance calculations used to interpret the line ratios affect the actual abundance values obtained, but have little effect on the magnitude of the total range of variation inferred. Resonance scattering of Fe XVII could cause a systematic offset in the abundances determined, but cannot be responsbile for the bulk of the observed variability. While abundance variability complicates the derivation of plasma parameters from spectroscopic measurements, it should offer exciting new clues to the processes which form and heat the corona.
Experimental inference of neutral and impurity transport in Alcator C-Mod using high-resolution x-ray and ultra-violet spectra
We present experimental inferences of cross-field impurity transport coefficients for AlcatorC-Mod plasmas without edge-localized modes, leveraging a novel forward model for the entire Ca Kα spectrum, including satellite lines within the spectral range, to compare to high-resolution x-ray imaging crystal spectroscopy (XICS). These measurements are complemented by extreme ultra-violet (EUV) spectroscopy that constrains transport closer to the edge. Using new atomic data sets for both XICS and EUV analysis has enabled consideration of line ratios across both spectral ranges and has increased the accuracy of inferred transport coefficients. Inclusion of charge exchange between edge thermal neutrals and impurities is shown to be extremely important in C-Mod pedestals. Atomic D neutral densities from experimental D Lyα measurements at the midplane are compared to SOLPS-ITER simulations, finding good agreement. Bayesian inferences of impurity transport coefficients are presented for L-, EDA H-, and I-mode discharges, making use of the Aurora package for forward modeling and combining our spectroscopic constraints. Experimentally inferred diffusion profiles are found to match turbulent transport models at midradius within uncertainties, using both quasilinear gyro-fluid TGLF SAT-1 and nonlinear ion-scale gyrokinetic CGYRO simulations. Furthermore, significant discrepancies in convection are observed in some cases, suggesting difficulties in predictions of flat or hollow impurity profiles.
The Effects of High Density on the X-ray Spectrum Reflected from Accretion Discs Around Black Holes
Current models of the spectrum of X-rays reflected from accretion discs around black holes and other compact objects are commonly calculated assuming that the density of the disc atmosphere is constant within several Thomson depths from the irradiated surface. An important simplifying assumption of these models is that the ionization structure of the gas is completely specified by a single, fixed value of the ionization parameter (xi), which is the ratio of the incident flux to the gas density. The density is typically fixed at n(sub e) = 10(exp 15) per cu cm. Motivated by observations, we consider higher densities in the calculation of the reflected spectrum. We show by computing model spectra for n(sub e) approximately greater than 10(exp 17) per cu cm that high-density effects significantly modify reflection spectra. The main effect is to boost the thermal continuum at energies 2 approximately less than keV. We discuss the implications of these results for interpreting observations of both active galactic nuclei and black hole binaries. We also discuss the limitations of our models imposed by the quality of the atomic data currently available.
Nitrogen abundances from UV lines of HgMn and standard late-B stars
A recent survey by Roby (1987) discovered that the relatively weak high excitation lines of N 1 near 7468 and 8680 A were undetectable in the majority of HgMn stars, leading to upper limits on the N abundance of roughly ten times below that of the solar N abundance. Standard stars with similar temperatures (10,000 to 13,000 K) did exhibit these same N lines and were found to have roughly solar N abundances. The N abundances were redetermined in two HgMn stars and four standard stars using the strong, low excitation lines of N 1 found in the ultraviolet. The observational data consisted of high quality, high resolution, co-added International Ultraviolet Explorer spectra which was previously collected and reduced. Examination of the spectra plus considerations of signal/noise and severe line blending led to the choice of three promising N 1 lines located at 1742.7, 1745.3 and 1411.9 A. The atomic data for these lines were previously calculated using the best laboratory measurements found in a search of the relevant literature. The chosen N lines turned out to be blended significantly with Fe 2 lines. To obtain the abundances for N synthetic spectra were computed to match the observed spectra. The synthetic spectra were calculated using lie-blanketed model atmospheres, stellar parameters, and abundances for the other elements based upon previous work by S. Adelman. The N abundance was then adjusted to give the best fit of the observed line profiles. In the 2 HgMn stars, the N lines were again found to be undetectable, but the stronger intrinsic strength of the new lines yield more stringent upper limits than those obtained previously. Model atmosphere and abundances were updated in two stars where new results were reported. An additional N 1 line and an additional standard star were added to the program. A line opacity model was developed for a missing feature adjacent to the N 1 line at 1745.2 A, leading to a 25 percent improvement in the determined from this line.
Mg IX emission lines in an active region spectrum obtained with the Solar EUV Rocket Telescope and Spectrograph (SERTS)
Theoretical electron-temperature-sensitive Mg IX emission line ratios are presented for R(sub 1) = I(443.96 A)/I(368.06 A), R(sub 2) = I(439.17 A)/I(368.06 A), R(sub 3) = I(443.37 A)/I(368.06 A), R(sub 4) = I(441.22 A)/I(368.06 A), and R(sub 5) = I(448.28 A)/I(368.06 A). A comparison of these with observational data for a solar active region, obtained during a rocket flight by the Solar EUV Rocket Telescope and Spectrograph (SERTS), reveals excellent agreement between theory and observation for R(sub 1) through R(sub 4), with discrepancies that average only 9%. This provides experimental support for the accuracy of the atomic data adopted in the line ratio calculations, and also resolves discrepancies found previously when the theoretical results were compared with solar data from the S082A instrument on board Skylab. However in the case of R(sub 5), the theoretical and observed ratios differ by almost a factor of 2. This may be due to the measured intensity of the 448.28 A line being seriously affected by instrumental effects, as it lies very close to the long wavelength edge of the SERTS spectral coverage (235.46-448.76 A).