Previous results in the literature have found the young inner-disc open cluster NGC 6705 to be mildly alpha-enhanced. We examined this possibility via an independent chemical abundance analysis for 11 red-giant members of NGC 6705. The analysis is based on near-infrared APOGEE spectra and relies on LTE calculations using spherical model atmospheres and radiative transfer. We find a mean cluster metallicity of [Fe / H] = +0.13 +/- 0.04, indicating that NGC 6705 is metal-rich, as may be expected for a young inner-disc cluster. The mean alpha-element abundance relative to iron is , which is not at odds with expectations from general Galactic abundance trends. NGC 6705 also provides important probes for studying stellar mixing, given its turn-off mass of M similar to 3.3M(circle dot). Its red giants have low C-12 abundances ([C-12/Fe] = -0.16) and enhanced N-14 abundances ([N-14/Fe] = +0.51), which are key signatures of the first dredge-up on the red giant branch. An additional signature of dredge-up was found in the Na abundances, which are enhanced by [Na/Fe] = +0.29, with a very small non-LTE correction. The O-16 and Al abundances are found to be near-solar. All of the derived mixing-sensitive abundances are in agreement with stellar models of approximately 3.3M(circle dot) evolving along the red giant branch and onto the red clump. As found in young open clusters with similar metallicities, NGC 6705 exhibits a mild excess in the s-process element cerium with [Ce/Fe] = +0.13 +/- 0.07.

In₂O₃-based catalysts have shown high activity and selectivity for CO₂ hydrogenation to methanol; however, the origin of the high performance of In₂O₃ is still unclear. To elucidate the initial steps of CO₂ hydrogenation over In₂O₃, we have combined X-ray photoelectron spectroscopy and density functional theory calculations to study the adsorption of CO₂ on the In₂O₃(111) crystalline surface with different terminations, namely, the stoichiometric, reduced, and hydroxylated surface. The combined approach confirms that the reduction of the surface results in the formation of In adatoms and that water dissociates on the surface at room temperature. A comparison of the experimental spectra and the computed core-level shifts (using methanol and formic acid as benchmark molecules) suggests that CO₂ adsorbs as a carbonate on all three surface terminations. We find that the adsorption of CO₂ is hindered by hydroxyl groups on the hydroxylated surface.

The catalytic oxidation of CO and CH4 can be strongly influenced by the structures of oxide phases that form on metallic catalysts during reaction. Here, we show that an epitaxial PdO(100) structure forms at temperatures above 600 K during the oxidation of Pd(100) by gaseous O atoms as well as exposure to O2-rich mixtures at millibar partial pressures. The oxidation of Pd(100) by gaseous O atoms preferentially generates an epitaxial, multilayer PdO(101) structure at 500 K, but initiating Pd(100) oxidation above 600 K causes an epitaxial PdO(100) structure to grow concurrently with PdO(101) and produces a thicker and rougher oxide. We present evidence that this change in the oxidation behavior is caused by a temperature-induced change in the stability of small PdO domains that initiate oxidation. Our discovery of the epitaxial PdO(100) structure may be significant for developing relationships among oxide structure, catalytic activity, and reaction conditions for applications of oxidation catalysis.

We present new maps of the Milky Way disk showing the distribution of metallicity ([Fe/H]), alpha-element abundances ([Mg/Fe]), and stellar age, using a sample of 66,496 red giant stars from the final data release (DR17) of the Apache Point Observatory Galactic Evolution Experiment survey. We measure radial and vertical gradients, quantify the distribution functions for age and metallicity, and explore chemical clock relations across the Milky Way for the low-a disk, high-alpha disk, and total population independently. The low-alpha disk exhibits a negative radial metallicity gradient of -0.06 +/- 0.001 dex kpc(-1), which flattens with distance from the midplane. The high-alpha disk shows a flat radial gradient in metallicity and age across nearly all locations of the disk. The age and metallicity distribution functions shift from negatively skewed in the inner Galaxy to positively skewed at large radius. Significant bimodality in the [Mg/Fe]-[Fe/H] plane and in the [Mg/Fe]-age relation persist across the entire disk. The age estimates have typical uncertainties of similar to 0.15 in log(age) and may be subject to additional systematic errors, which impose limitations on conclusions drawn from this sample. Nevertheless, these results act as critical constraints on galactic evolution models, constraining which physical processes played a dominant role in the formation of the Milky Way disk. We discuss how radial migration predicts many of the observed trends near the solar neighborhood and in the outer disk, but an additional more dramatic evolution history, such as the multi-infall model or a merger event, is needed to explain the chemical and age bimodality elsewhere in the Galaxy.

Eta Carinae (η Car) exhibits a unique set of P Cygni profiles with both broad and narrow components. Over many decades, the spectrum has changed-there has been an increase in observed continuum fluxes and a decrease in Fe II and H I emission-line equivalent widths. The spectrum is evolving toward that of a P Cygni star such as P Cygni itself and HDE 316285. The spectral evolution has been attributed to intrinsic variations such as a decrease in the mass-loss rate of the primary star or differential evolution in a latitudinal-dependent stellar wind. However, intrinsic wind changes conflict with three observational results: the steady long-term bolometric luminosity; the repeating X-ray light curve over the binary period; and the constancy of the dust-scattered spectrum from the Homunculus. We extend previous work that showed a secular strengthening of P Cygni absorptions by adding more orbital cycles to overcome temporary instabilities and by examining more atomic transitions. CMFGEN modeling of the primary wind shows that a time-decreasing mass-loss rate is not the best explanation for the observations. However, models with a small dissipating absorber in our line of sight can explain both the increase in brightness and changes in the emission and P Cygni absorption profiles. If the spectral evolution is caused by the dissipating circumstellar medium, and not by intrinsic changes in the binary, the dynamical timescale to recover from the Great Eruption is much less than a century, different from previous suggestions.

Previous Hubble Space Telescope (HST)/Space Telescope Imaging Spectrograph (STIS) longslit observations of Eta Carinae (η Car) identified numerous absorption features in both the stellar spectrum, and in the adjacent nebular spectra, along our line of sight (LOS). The absorption features became temporarily stronger when the ionizing far-ultraviolet radiation field was reduced by the periastron passage of the secondary star. Subsequently, dissipation of a dusty structure in our LOS has led to a long-term increase in the apparent brightness of η Car, an increase in the ionizing ultraviolet (UV) radiation, and the disappearance of absorption from multiple velocity-separated shells extending across the foreground Homunculus lobe. We use HST/STIS spectro-images, coupled with published infrared and radio observations, to locate this intervening dusty structure. The velocity and spatial information indicate the occulter is ≈1000 au in front of η Car. The Homunculus is a transient structure composed of dusty, partially ionized ejecta that eventually will disappear due to the relentless rain of ionizing radiation and wind from the current binary system along with dissipation and mixing with the interstellar medium. This evolving complex continues to provide an astrophysical laboratory that changes on human timescales.

In the present work, we have used classical molecular dynamics and quantum mechanical density functional theory modeling to investigate the grain size-dependent thermal expansion coefficient (CTE) of nanocrystalline Cu. We find that the CTE increases by up to 20% with a gradually decreasing grain size. This behavior emerges as a result of the increased population of occupied anti-bonding states and bond order variation in the grain boundary regions, which contribute to thereduced resistance against thermally-induced bond stretching and dictate the thermal expansion behavior in the small grain size limit. As a part of the present work, we have established a procedure to produce ab initio thermal expansion maps that can be used for the prediction of the grain size dependent CTE. This can serve as a modeling tool, e.g., to explore the impact of grain boundary impurity segregation on the CTE.

As the most abundant element in the universe after hydrogen and helium, oxygen plays a key role in planetary, stellar, and galactic astrophysics. Its abundance is especially influential in terms of stellar structure and evolution, and as the dominant opacity contributor at the base of the Sun's convection zone, it is central to the discussion on the solar modelling problem. However, abundance analyses require complete and reliable sets of atomic data. We present extensive atomic data for O I by using the multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction methods. We provide the lifetimes and transition probabilities for radiative electric dipole transitions and we compare them with results from previous calculations and available measurements. The accuracy of the computed transition rates is evaluated by the differences between the transition rates in Babushkin and Coulomb gauges, as well as via a cancellation factor analysis. Out of the 989 computed transitions in this work, 205 are assigned to the accuracy classes AA-B, that is, with uncertainties smaller than 10%, following the criteria defined by the Atomic Spectra Database from the National Institute of Standards and Technology. We discuss the influence of the new log(gf) values on the solar oxygen abundance, ultimately advocating for log epsilon(O) = 8.70 +/- 0.04.

We present a spectroscopic analysis of a sample of 48 M-dwarf stars (0.2 M (& ODOT;) < M < 0.6 M (& ODOT;)) from the Hyades open cluster using high-resolution H-band spectra from the Sloan Digital Sky Survey/Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. Our methodology adopts spectrum synthesis with LTE MARCS model atmospheres, along with the APOGEE Data Release 17 line list, to determine effective temperatures, surface gravities, metallicities, and projected rotational velocities. The median metallicity obtained for the Hyades M dwarfs is [M/H] = 0.09 & PLUSMN; 0.03 dex, indicating a small internal uncertainty and good agreement with optical results for Hyades red giants. Overall, the median radii are larger than predicted by stellar models by 1.6% & PLUSMN; 2.3% and 2.4% & PLUSMN; 2.3%, relative to a MIST and DARTMOUTH isochrone, respectively. We emphasize, however, that these isochrones are different, and the fractional radius inflation for the fully and partially convective regimes have distinct behaviors depending on the isochrone. Using a MIST isochrone there is no evidence of radius inflation for the fully convective stars, while for the partially convective M dwarfs the radii are inflated by 2.7% & PLUSMN; 2.1%, which is in agreement with predictions from models that include magnetic fields. For the partially convective stars, rapid rotators present on average higher inflation levels than slow rotators. The comparison with SPOTS isochrone models indicates that the derived M-dwarf radii can be explained by accounting for stellar spots in the photosphere of the stars, with 76% of the studied M dwarfs having up to 20% spot coverage, and the most inflated stars with & SIM;20%-40% spot coverage.

grasp is a software package in Fortran 95, adapted to run in parallel under MPI, for research in atomic physics. The basic premise is that, given a wave function, any observed atomic property can be computed. Thus, the first step is always to determine a wave function. Different properties challenge the accuracy of the wave function in different ways. This software is distributed under the MIT Licence.

Ab initio calculations sometimes do not reproduce the experimentally observed energy separations at a high enough accuracy. Fine-tuning of diagonal elements of the Hamiltonian matrix is a process which seeks to ensure that calculated energy separations of the states that mix are in agreement with experiment. The process gives more accurate measures of the mixing than can be obtained in ab initio calculations. Fine-tuning requires the Hamiltonian matrix to be diagonally dominant, which is generally not the case for calculations based on jj-coupled configuration state functions. We show that this problem can be circumvented by a method that transforms the Hamiltonian in jj-coupling to a Hamiltonian in LSJ-coupling for which fine-tuning applies. The fine-tuned matrix is then transformed back to a Hamiltonian in jj-coupling. The implementation of the method into the General Relativistic Atomic Structure Package is described and test runs to validate the program operations are reported. The new method is applied to the computation of the 2s(21)S(0)-2s2p(1,3)P(1) transitions in C III and to the computation of Rydberg transitions in B I, for which the 2s(2)p(22)S(1/2) perturber enters the 2s(2)ns(2)S(1/2) series. Improved convergence patterns and results are found compared with ab initio calculations.

The passive film stability on stainless steel can be affected by hydrogen absorption and lead to microstructure embrittlement. This work shows that the absorption of hydrogen results in surface degradation due to oxide reduction and ionic defect generation within the passive film, which decomposes and eventually vanishes. The passive film provides a barrier to entering hydrogen, but when hydrogen is formed, atomic hydrogen infuses into the lattices of the austenite and ferrite phases, causing strain evolution, as shown by synchrotron x-ray diffraction data. The vacancy concentration and hence the strains increase with increasing electrochemical cathodic po-larization. Under cathodic polarization, the surface oxides are thermodynamically unstable, but the complete reduction is kinetically restrained. As a result, surface oxides remain present under excessive cathodic polari-zation, contesting the classical assumption that oxides are easily removed. Density-functional theory calculations have shown that the degradation of the passive film is a reduction sequence of iron and chromium oxide, which causes thinning and change of the semiconductor properties of the passive film from n-type to p-type. As a result, the surface loses its passivity after long cathodic polarization and becomes only a weak barrier to hydrogen absorption and hence hydrogen embrittlement.

Context. Elemental abundances can be determined from stellar spectra, making it possible to study galactic formation and evolution. Accurate atomic data is essential for the reliable interpretation and modeling of astrophysical spectra. In this work, we perform laboratory studies on neutral aluminium. This element is found, for example, in young, massive stars and it is a key element for tracing ongoing nucleosynthesis throughout the Galaxy. The near-infrared (NIR) wavelength region is of particular importance, since extinction in this region is lower than for optical wavelengths. This makes the NIR wavelength region a better probe for highly obscured regions, such as those located close to the Galactic center.

Aims. We investigate the spectrum of neutral aluminium with the aim to provide oscillator strengths (f-values) of improved accuracy for lines in the NIR and optical regions (670–4200 nm).

Methods. Measurements of high-resolution spectra were performed using a Fourier transform spectrometer and a hollow cathode discharge lamp. The f-values were derived from experimental line intensities combined with published radiative lifetimes.

Results. We report oscillator strengths for 12 lines in the NIR and optical spectral regions, with an accuracy between 2 and 11%, as well as branching fractions for an additional 16 lines.

Accurate and extensive atomic data are essential for spectroscopic analyses of stellar atmospheres and other astronomical objects. We present energy levels, lifetimes, and transition probabilities for neutral nitrogen, the sixth most abundant element in the cosmos. The calculations employ the fully relativistic multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction methods, and span the 103 lowest states up to and including 2s(2)2p(2)5s. Our theoretical energies are in excellent agreement with the experimental data, with an average relative difference of 0.07%. In addition, our transition probabilities are in good agreement with available experimental and theoretical data. We further verify the agreement of our data with experimental results via a reanalysis of the solar nitrogen abundance, with the results from the Babushkin and Coulomb gauges consistent to 2% or 0.01 dex. We estimated the uncertainties of the computed transition data based on a statistical analysis of the differences between the transition rates in the Babushkin and Coulomb gauges. Out of the 1701 computed electric dipole transitions in this work, 83 (536) are associated with uncertainties smaller than 5% (10%).

Galactic haloes in a ?-CDM universe are predicted to host today a swarm of debris resulting from cannibalized dwarf galaxies. The chemodynamical information recorded in their stellar populations helps elucidate their nature, constraining the assembly history of the Galaxy. Using data from APOGEE and Gaia, we examine the chemical properties of various halo substructures, considering elements that sample various nucleosynthetic pathways. The systems studied are Heracles, Gaia-Enceladus/Sausage (GES), the Helmi stream, Sequoia, Thamnos, Aleph, LMS-1, Arjuna, I'itoi, Nyx, Icarus, and Pontus. Abundance patterns of all substructures are cross-compared in a statistically robust fashion. Our main findings include: (i) the chemical properties of most substructures studied match qualitatively those of dwarf Milky Way satellites, such as the Sagittarius dSph. Exceptions are Nyx and Aleph, which are chemically similar to disc stars, implying that these substructures were likely formed in situ; (ii) Heracles differs chemically from in situ populations such as Aurora and its inner halo counterparts in a statistically significant way. The differences suggest that the star formation rate was lower in Heracles than in the early Milky Way; (iii) the chemistry of Arjuna, LMS-1, and I'itoi is indistinguishable from that of GES, suggesting a possible common origin; (iv) all three Sequoia samples studied are qualitatively similar. However, only two of those samples present chemistry that is consistent with GES in a statistically significant fashion; (v) the abundance patterns of the Helmi stream and Thamnos are different from all other halo substructures.

In multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations, there is a strong coupling between the localization of the orbital set and the configuration state function (CSF) expansion used to determine it. Furthermore, it is well known that an orbital set resulting from calculations, including CSFs describing core-core correlation and other effects, which aims to lower the weighted energies of a number of targeted states as much as possible, may be inadequate for building CSFs that account for correlation effects that are energetically unimportant but decisive for computed properties, e.g., hyperfine structures or transition rates. This inadequacy can be traced in irregular or oscillating convergence patterns of the computed properties as functions of the increasing orbital set. In order to alleviate the above problems, we propose a procedure in which the orbital set is obtained by merging several separately optimized, and mutually non-orthogonal, orbital sets. This computational strategy preserves the advantages of capturing electron correlation on the total energy through the variational MCDHF method and allows to target efficiently the correlation effects on the considered property. The orbital sets that are merged are successively orthogonalized against each other to retain orthonormality. The merged orbital set is used to build CSFs that efficiently lower the energy and also adequately account for the correlation effects that are important for the property. We apply the procedure to compute the hyperfine structure constants for the 1s(2)2s (2)S1/2 and 1s(2)2p (2Po)(1/2, 3/2) states in Li-7 and show that it leads to considerably improved convergence patterns with respect to the increasing orbital set compared to standard calculations based on a single orbital set, energy optimized in the variational procedure. The perspectives of the new procedure are discussed in a broader context in the summary.

Aims. Stars with strong enhancements of r-process elements are rare and tend to be metal-poor, generally with [Fe/H] < -2 dex, and located in the halo. In this work, we aim to investigate a candidate r-process enriched bulge star with a relatively high metallicity of [Fe/H] similar to - 0.65 dex and to compare it with a previously published r-rich candidate star in the bulge. Methods. We reconsidered the abundance analysis of a high-resolution optical spectrum of the red-giant star 2MASS J18082459-2548444 and determined its europium (Eu) and molybdenum (Mo) abundance, using stellar parameters from five different previous studies. Applying 2MASS photometry, Gaia astrometry, and kinematics, we estimated the distance, orbits, and population membership of 2MASS J18082459-2548444 and a previously reported r-enriched star 2MASS J18174532-3353235. Results. We find that 2MASS J18082459-2548444 is a relatively metal-rich, enriched r-process star that is enhanced in Eu and Mo, but not substantially enhanced in s-process elements. There is a high probability that it has a Galactic bulge membership, based on its distance and orbit. We find that both stars show r-process enhancement with elevated [Eu/Fe]-values, even though 2MASS J18174532-3353235 is 1 dex lower in metallicity. Additionally, we find that the plausible origins of 2MASS J18174532-3353235 to be either that of the halo or the thick disc. Conclusions. We conclude that 2MASS J18082459-2548444 represents the first example of a confirmed r-process enhanced star confined to the inner bulge. We assume it is possibly a relic from a period of enrichment associated with the formation of the bar.

We construct a coarse-grained, structure-based, low-resolution, 6-bead flexible model of bovine serum albumin (BSA, PDB: 4F5S), which is a popular example of a globular protein in biophysical research. The model is obtained via direct Boltzmann inversion using all-atom simulations of a single molecule, and its particular form is selected from a large pool of 6-bead coarse-grained models using two suitable metrics that quantify the agreement in the distribution of collective coordinates between all-atom and coarse-grained Brownian dynamics simulations of solutions in the dilute limit. For immunoglobulin G (IgG), a similar structure-based 12-bead model has been introduced in the literature [Chaudhri et al., J. Phys. Chem. B 116, 8045 (2012)] and is employed here to compare findings for the compact BSA molecule and the more anisotropic IgG molecule. We define several modified coarse-grained models of BSA and IgG, which differ in their internal constraints and thus account for a variation of flexibility. We study denser solutions of the coarse-grained models with purely repulsive molecules (achievable by suitable salt conditions) and address the effect of packing and flexibility on dynamic and static behavior. Translational and rotational self-diffusivity is enhanced for more elastic models. Finally, we discuss a number of effective sphere sizes for the BSA molecule, which can be defined from its static and dynamic properties. Here, it is found that the effective sphere diameters lie between 4.9 and 6.1 nm, corresponding to a relative spread of about ±10% around a mean of 5.5 nm.

Photodissociation molecular dynamics of gas-phase 2,5-diiodothiophene molecules was studied in an electron-energy-resolved electron-multi-ion coincidence experiment performed at the FinEstBeAMS beamline of MAX IV synchrotron. Following the photoionization of the iodine 4d subshell and the Auger decay, the dissociation landscape of the molecular dication was investigated as a function of the Auger electron energy. Concentrating on an major dissociation pathway, C4H2I2S2+ → C4H2S+ + I+ + I, and accessing the timescales of the process via ion momentum correlation analysis, it was revealed how this three-body process changes depending on the available internal energy. Using a generalized secondary dissociation model, the process was shown to evolve from secondary dissociation regime towards concerted dissociation as the available energy increased, with the secondary dissociation time constant changing from 1.5 ps to 129 fs. The experimental results were compared with simulations using a stochastic charge-hopping molecular mechanics model. It represented the observed trend and also gave a fair quantitative agreement with the experiment.

The latest published version of GRASP (General-purpose Relativistic Atomic Structure Package), i.e., GRASP2018, retains a few suboptimal subroutines/algorithms, which reflect the limited memory and file storage of computers available in the 1980s. Here we show how the efficiency of the relativistic self-consistent-field (SCF) procedure of the multiconfiguration-Dirac-Hartree-Fock (MCDHF) method and the relativistic configuration-interaction (RCI) calculations can be improved significantly. Compared with the original GRASP codes, the present modified version reduces the CPU times by factors of a few tens or more. The MPI performances for all the original and modified codes are carefully analyzed. Except for diagonalization, all computational processes show good MPI scaling.

Computational atomic physics continues to play a crucial role in both increasing the understanding of fundamental physics (e.g., quantum electrodynamics and correlation) and producing atomic data for interpreting observations from large-scale research facilities ranging from fusion reactors to high-power laser systems, space-based telescopes and isotope separators. A number of different computational methods, each with their own strengths and weaknesses, is available to meet these tasks. Here, we review the relativistic multiconfiguration method as it applies to the General Relativistic Atomic Structure Package [grasp2018, C. Froese Fischer, G. Gaigalas, P. Jonsson, J. Bieron, Comput. Phys. Commun. (2018). DOI: 10.1016/j.cpc.2018.10.032]. To illustrate the capacity of the package, examples of calculations of relevance for nuclear physics and astrophysics are presented.

Tungsten (W) is a leading candidate for plasma-facing materials in fusion reactors. Recently, experiments have shown that during neutron irradiation, W and its transmutation products, mainly rhenium (Re),will form precipitates of the σ and χ types. This study identifies close-packed planes of the σ - and χ-phases in the W-Re system and uses ab-initio methods to identify mechanical properties such as elasticconstants, generalized stacking fault energies (GSFE), and fracture toughness associated with brittle andductile mechanisms. By utilizing a sublattice model we demonstrate how these properties depend onthe Re content. For Re concentrations in the range where the σ - and χ-phases are stable, we find aweak dependency on the Re content, meaning that the elemental composition has little influence on the mechanical and fracture-related properties.

In the present work, we have generated a new second-nearest neighbour modified embedded atom method potential (2NN-MEAM) for the W-P system to investigate the impact of P impurity segregation on the strength of symmetric [110] tilt coincident site lattice grain boundaries (GBs) in tungsten. By incorporating the impurity-induced reduction of the work of separation in the fitting strategy, we have produced a  potential that predicts decohesion behaviour as found by ab initio density functional theory (DFT) modelling. Analysis of the GB work of separation and generalized stacking fault energy data derived from DFT and the 2NN-MEAM potential show that P-impurities reduce the resistance to both cleavage and slip. Mode I tensile simulations reveal that the most dominant mode of GB failure is cleavage and that pristine GBs, which are initially ductile, on most accounts change to brittle upon introduction of impurities. Such tendencies are in line with experimentally observed correlations between P-impurity content and reduced ductility.   

To increase the understanding of the role of carbide precipitates on the hydrogen embrittlement of martensitic steels, we have performed a density functional theory study on the solution energies and energy barriers for hydrogen diffusion in orthorhombic M₇C₃ (M = Cr, Mn, Fe). Hydrogen can easily diffuse into the lattice and cause internal stresses or bond weakening, which may promote reduced ductility. Solution energies of hydrogen at different lattice positions have systematically been explored, and the lowest values are -0.28, 0.00, and 0.03 eV/H-atom for Cr₇C₃, Mn₇C₃, and Fe₇C₃, respectively. Energy barriers for the diffusion of hydrogen atoms have been probed with the nudged elastic band method, which shows comparably low barriers for transport via interstitial octahedral sites for all three systems. Analysis of the atomic volume reveals a correlation between low solution energies and energy barriers and atoms with large atomic volumes. Furthermore, it shows that the presence of carbon tends to increase the energy barrier. Our results can explain previous experimental findings of hydrogen located in the bulk of CrC precipitates and provide a solid basis for future design efforts of steels with high strength and commensurable ductility.

In the present work, we report the results of a systematic ab initio study of the thermo-elastic properties of -MH_1.5 (M=Zr, Ti). This investigation serves three purposes: (i) Elucidate the fully anisotropic temperature dependent elastic constants of hydrides, (ii) address discrepancies in thermal expansion data reported in the literature and (iii) provide input data for thermodynamic-based phase-transformation modelling. Due to a reduced contribution from the vibrational free energy to the strain energy, in agreement with experimental observations we find that the temperature  dependent stiffness of hydrides vary to a much lesser degree than the matrix. For -ZrH_1.5, we further find that Zener’s anisotropy ratio varies with temperature. Regarding the linear thermal expansion, our results indicate that it is highly temperature dependent. With the exception of a few outliers, our DFT data concurs well with experimental data, if the temperature range over which it was measured is taken into account.

Multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations are performed for 22 states in singly ionized tin (Sn II) belonging to the 5s2ns (n=6,7), 5s2nd (n=5,6), 5s5p2 even parity configurations and the 5s2np (n=5,6,7), 5s24f odd parity configurations. Valence-valence and core-valence correlation effects are taken into account through configuration state function (CSF) expansions. Complete and consistent data sets of level energies, wavelengths, oscillator strengths, lifetimes and transition rates among all these states are given. The results are compared with existing theoretical and experimental results. There is an excellent agreement for calculated excitation energies with experimental data from the NIST database. Lifetimes and transition rates are also in agreement with the results from previous calculations and available measurements for most of the transitions.

Context. Phosphorus (P) is considered to be one of the key elements for life, making it an important element to look for in the abundance analysis of spectra of stellar systems. Yet, only a select number of spectroscopic studies exist to estimate the phosphorus abundances and investigate its trend across a range of metallicities. This is due to the lack of good phosphorus lines in the optical wavelength region and the requirement of careful manual analysis of the blended phosphorus lines in near-infrared H-band spectra obtained with individual observations and surveys such as the Apache Point Observatory Galactic Evolution Experiment (APOGEE). Aims. Based on a consistent and systematic analysis of high-resolution, near-infrared Immersion GRating INfrared Spectrograph (IGRINS) spectra of 38 K giant stars in the Solar neighborhood, we present and investigate the phosphorus abundance trend in the metallicity range of -1.2 dex < [Fe/H] < 0.4 dex. Furthermore, we compare this trend with the available chemical evolution models to shed some light on the origin and evolution of phosphorus. Methods. We have observed full H- and K-band spectra at a spectral resolving power of R = 45 000 with IGRINS mounted on the Gemini South telescope, the Discovery Channel Telescope, and the Harlan J Smith Telescope at McDonald Observatory. Abundances were determined from spectral lines by modeling the synthetic spectrum that best matches the observed spectrum by chi(2) minimization. For this task, we used the Spectroscopy Made Easy (SME) tool in combination with one-dimensional (1D) Model Atmospheres in a Radiative and Convective Scheme (MARCS) stellar atmosphere models. The investigated sample of stars have reliable stellar parameters estimated using optical FIber-fed Echelle Spectrograph (FIES) spectra obtained in a previous study of a set of stars called Giants in the Local Disk (GILD). In order to determine the phosphorus abundances from the 16482.92 angstrom phosphorus line, we needed to take special care blending the CO(v = 7-4) line. With the stellar parameters known, we thus determined the C, N, and O abundances from atomic carbon and a range of nonblended molecular lines (CO, CN, and OH) which are plentiful in the H-band region of K giant stars, assuring an appropriate modeling of the blending CO(v = 7-4) line. Results. We present the [P/Fe] versus [Fe/H] trend for K giant stars in the metallicity range of -1.2 dex < [Fe/H] < 0.4 dex and enhanced phosphorus abundances for two metal-poor s-rich stars. We find that our trend matches well with the compiled literature sample of prominently dwarf stars and the limited number of giant stars. Our trend is found to be higher by similar to 0.05-0.1 dex compared to the theoretical chemical evolution trend resulting from the core collapse supernova (type II) of massive stars with the phosphorus yields arbitrarily increased by a factor of 2.75. Thus the enhancement factor might need to be similar to 0.05-0.1 dex higher to match our trend. We also find an empirically determined primary behavior for phosphorus. Furthermore, the phosphorus abundance is found to be elevated by similar to 0.6-0.9 dex in the two s-enriched stars compared to the theoretical chemical evolution trend.

We modified the Hfs92 code of the GRASP package in order to describe the magnetic octupole hyperfine interaction. To illustrate the utility of the modified code, we carried out state-of-the-art calculations of the electronic factors of the magnetic octupole hyperfine interaction constants for levels in the ground configuration of the Bi atom. The nuclear magnetic octupole moment of the Bi-209 isotope was extracted by combining old measurements of the hyperfine structures of 6p(34)S(3/2)(o) [Hull, R.; Brink, G. Phys. Rev. A 1970, 1, 685] and 2P(3/2)(o) [Landman, D.A.; Lurio, A. Phys. Rev. A 1970, 1, 1330] using the atomic-beam magnetic-resonance technique with our theoretical electronic factors. The present extracted octupole moment was consistent with all the available values but the one obtained in the single-particle nuclear shell model approximation. This observation supports the previous finding that nuclear many-body effects, such as the core polarization, significantly contribute to the nuclear magnetic octupole moment in the case of Bi-209.

Background: To understand superheavy element synthesis reactions, quantifying the role of quantum shells in quasifission dynamics is important. In reactions with actinide nuclides, a wide peak in the binary quasifission mass yield is seen, centered close to the 208Pb mass. It is generally attributed to the 208Pb spherical closed shells causing a valley in the potential-energy surface, attracting flux to these mass splits. However, an early experiment studying 48Ca, 50Ti+238U reactions showed strong evidence that sequential fission plays an important role in generating the observed peak. These conflicting interpretations have not been resolved up to now.Purpose: This work aims to measure quasifission mass spectra for reactions with nuclei lighter than 208Pb, having negligible sequential fission, to search for systematic features correlated with the proton shells known to affect low-energy fission mass distributions of the same actinide elements.Methods: Systematic measurements have been made at energies near and below the capture barriers (where quasifission is most prominent) of mass-angle distributions for fission following collisions of 48Ti projectiles with even-even nuclides from 154Sm to 200Hg. Mean excitation energies above the ground-states ranged from 51 to 33 MeV, respectively.Results: With increasing compound nucleus atomic number ZCN, a rapid transition occurs from fission having characteristics of fusion-fission to fast quasifission. The heaviest reactions form 240Cf, 244Fm, and 248No. Low -energy fission of neighboring isotopes is mass asymmetric, correlated with proton number Z = 56. However, peak quasifission yields are at mass-symmetry for all reactions. There appears to be a very small (P-3%) systematic excess of yield correlated with Z = 56, however this is at the limit of sensitivity of the experiment.Conclusions: No significant (>3%) systematic features are seen in the quasifission mass spectra that can be unambiguously identified as resulting from shells. This small influence may result from attenuation of shell effects due to the excitation energy introduced, even in these near-barrier reactions giving low excitation energies typical of superheavy element synthesis reactions.

We use data from the 17th data release of the Apache Point Observatory Galactic Evolution Experiment (APOGEE 2) to contrast the chemical composition of the recently discovered Gaia Enceladus/Sausage system (GE/S) to those of 10 Milky Way (MW) dwarf satellite galaxies: LMC, SMC, Boötes I, Carina, Draco, Fornax, Sagittarius, Sculptor, Sextans, and Ursa Minor. Our main focus is on the distributions of the stellar populations of those systems in the [Mg/Fe]–[Fe/H] and [Mg/Mn]–[Al/Fe] planes, which are commonly employed in the literature for chemical diagnosis and where dwarf galaxies can be distinguished from in situ populations. We show that, unlike MW satellites, a GE/S sample defined purely on the basis of orbital parameters falls almost entirely within the locus of ‘accreted’ stellar populations in chemical space, which is likely caused by an early quenching of star formation in GE/S. Due to a more protracted history of star formation, stars in the metal-rich end of the MW satellite populations are characterized by lower [Mg/Mn] than those of their GE/S counterparts. The chemical compositions of GE/S stars are consistent with a higher early star formation rate (SFR) than MW satellites of comparable and even higher mass, suggesting that star formation in the early universe was strongly influenced by other parameters in addition to mass. We find that the direction of the metallicity gradient in the [Mg/Mn]–[Al/Fe] plane of dwarf galaxies is an indicator of the early SFR of the system. 

Aims. In this work, we aim to make a differential comparison of the neutron-capture and p-process element molybdenum (Mo) in the stellar populations in the local disk(s) and the bulge, focusing on minimising possible systematic effects in the analysis. Methods. The stellar sample consists of 45 bulge and 291 local disk K-giants observed with high-resolution optical spectra. The abundances are determined by fitting synthetic spectra using the Spectroscopy Made Easy (SME) code. The disk sample is separated into thin and thick disk components using a combination of abundances and kinematics. The cosmic origin of Mo is investigated and discussed by comparing with published abundances of Mo and the neutron-capture elements cerium (Ce) and europium (Eu). Results. We determine reliable Mo abundances for 35 bulge and 282 disk giants with a typical uncertainty of [Mo/Fe] similar to 0.2 and similar to 0.1 dex for the bulge and disk, respectively. Conclusions. We find that the bulge is possibly enhanced in [Mo/Fe] compared to the thick disk, which we do not observe in either [Ce/Fe] or [Eu/Fe]. This might suggest a higher past star-formation rate in the bulge; however, as we do not observe the bulge to be enhanced in [Eu/Fe], the origin of the molybdenum enhancement is yet to be constrained. Although the scatter is large, we may be observing evidence of the p-process contributing to the heavy element production in the chemical evolution of the bulge.

Context. The Gaia-ESO Public Spectroscopic Survey is an ambitious project designed to obtain astrophysical parameters and elemental abundances for 100 000 stars, including large representative samples of the stellar populations in the Galaxy, and a well-defined sample of 60 (plus 20 archive) open clusters. We provide internally consistent results calibrated on benchmark stars and star clusters, extending across a very wide range of abundances and ages. This provides a legacy data set of intrinsic value, and equally a large wide-ranging dataset that is of value for the homogenisation of other and future stellar surveys and Gaia's astrophysical parameters. Aims. This article provides an overview of the survey methodology, the scientific aims, and the implementation, including a description of the data processing for the GIRAFFE spectra. A companion paper introduces the survey results. Methods. Gaia-ESO aspires to quantify both random and systematic contributions to measurement uncertainties. Thus, all available spectroscopic analysis techniques are utilised, each spectrum being analysed by up to several different analysis pipelines, with considerable effort being made to homogenise and calibrate the resulting parameters. We describe here the sequence of activities up to delivery of processed data products to the ESO Science Archive Facility for open use. Results. The Gaia-ESO Survey obtained 202 000 spectra of 115 000 stars using 340 allocated VLT nights between December 2011 and January 2018 from GIRAFFE and UVES. Conclusions. The full consistently reduced final data set of spectra was released through the ESO Science Archive Facility in late 2020, with the full astrophysical parameters sets following in 2022. A companion article reviews the survey implementation, scientific highlights, the open cluster survey, and data products.

Context. In the last 15 years different ground-based spectroscopic surveys have been started (and completed) with the general aim of delivering stellar parameters and elemental abundances for large samples of Galactic stars, complementing Gaia astrometry. Among those surveys, the Gaia-ESO Public Spectroscopic Survey, the only one performed on a 8m class telescope, was designed to target 100 000 stars using FLAMES on the ESO VLT (both Giraffe and UVES spectrographs), covering all the Milky Way populations, with a special focus on open star clusters. Aims. This article provides an overview of the survey implementation (observations, data quality, analysis and its success, data products, and releases), of the open cluster survey, of the science results and potential, and of the survey legacy. A companion article reviews the overall survey motivation, strategy, Giraffe pipeline data reduction, organisation, and workflow. Methods. We made use of the information recorded and archived in the observing blocks; during the observing runs; in a number of relevant documents; in the spectra and master catalogue of spectra; in the parameters delivered by the analysis nodes and the working groups; in the final catalogue; and in the science papers. Based on these sources, we critically analyse and discuss the output and products of the Survey, including science highlights. We also determined the average metallicities of the open clusters observed as science targets and of a sample of clusters whose spectra were retrieved from the ESO archive. Results. The Gaia-ESO Survey has determined homogeneous good-quality radial velocities and stellar parameters for a large fraction of its more than 110 000 unique target stars. Elemental abundances were derived for up to 31 elements for targets observed with UVES. Lithium abundances are delivered for about 1/3 of the sample. The analysis and homogenisation strategies have proven to be successful; several science topics have been addressed by the Gaia-ESO consortium and the community, with many highlight results achieved. Conclusions. The final catalogue will be released through the ESO archive in the first half of 2022, including the complete set of advanced data products. In addition to these results, the Gaia-ESO Survey will leave a very important legacy, for several aspects and for many years to come.

Context. Measuring the abundances of neutron-capture elements in Galactic disk stars is an important part of understanding key stellar and galactic processes. In the optical wavelength regime a number of different neutron-capture elements have been measured; however, only the s-process-dominated element cerium has been accurately measured for a large sample of disk stars from the infrared H band. The more r-process dominated element ytterbium has only been measured in a small subset of stars so far. Aims. In this study we aim to measure the ytterbium (Yb) abundance of local disk giants using the Yb II line at lambda(air) = 16 498 angstrom. We also compare the resulting abundance trend with cerium and europium abundances for the same stars to analyse the s- and r-process contributions. Methods. We analyse 30 K giants with high-resolution H band spectra using spectral synthesis. The very same stars have already been analysed using high-resolution optical spectra via the same method, but it was not possible to determine the abundance of Yb from those spectra due to blending issues for stars with [Fe/H] > -1. In the present analysis, we utilise the stellar parameters determined from the optical analysis. Results. We determined the Yb abundances with an estimated uncertainty for [Yb/Fe] of 0.1 dex. By comparison, we found that the [Yb/Fe] trend closely follows the [Eu/Fe] trend and has clear s-process enrichment in identified s-rich stars. This comparison confirms both that the validity of the Yb abundances is ensured and that the theoretical prediction that the s-/r-process contribution to the origin of Yb of roughly 40/60 is supported. Conclusions. These results show that, with a careful and detailed analysis of infrared spectra, reliable Yb abundances can be derived for a wider sample of cooler giants in the range -1.1 < [Fe/H] < 0.3. This is promising for further studies of the production of Yb and for the r-process channel, key for galactochemical evolution, in the infrared.

The Na D absorption doublet in the spectrum of eta Carinae is complex, with multiple absorption features associated with the Great Eruption (1840s), the Lesser Eruption (1890s), and the interstellar clouds. The velocity profile is further complicated by the P Cygni profile originating in the system's stellar winds and blending with the He i lambda 5876 profile. The Na D profile contains a multitude of absorption components, including those at velocities of -145 km s(-1), -168 km s(-1), and +87 km s(-1), which we concentrate on in this analysis. Ground-based spectra recorded from 2008 to 2021 show significant variability of the -145 km s(-1) absorption throughout long-term observations. In the high-ionization phases of eta Carinae prior to the 2020 periastron passage, this feature disappeared completely but briefly reappeared across the 2020 periastron, along with a second absorption at -168 km s(-1). Over the past few decades, eta Carinae has been gradually brightening, which is shown to be caused by a dissipating occulter. The decreasing absorption of the -145 km s(-1) component, coupled with similar trends seen in absorptions of ultraviolet resonant lines, indicate that this central occulter was possibly a large clump associated with the Little Homunculus or another clump between the Little Homunculus and the star. We also report on a foreground absorption component at +87 km s(-1). Comparison of Na D absorption in the spectra of nearby systems demonstrates that this redshifted component likely originates in an extended foreground structure consistent with a previous ultraviolet spectral survey in the Carina Nebula.

Elements with weak and blended spectral features in stellar spectra are challenging to measure and require specialized analysis methods to precisely measure their chemical abundances. In this work, we have created a catalog of approximately 120,000 giants with high signal-to-noise Apache Point Observatory Galactic Evolution Experiment (APOGEE) Data Release 17 (DR17) spectra, for which we explore weak and blended species to measure Na, P, S, V, Cu, Ce, and Nd abundances and C-12/C-13 isotopic ratios. We employ an updated version of the Brussels Automatic Code for Characterizing High-accuracy Spectra (BACCHUS) code to derive these abundances using the stellar parameters measured by APOGEE's DR17 Stellar Parameters and Chemical Abundances Pipeline, quality flagging to identify suspect spectral lines, and a prescription for upper limits. Combined, these allow us to provide our BACCHUS Analysis of Weak Lines in APOGEE Spectra catalog of precise chemical abundances for these weak and blended species, which agrees well with the literature and improves upon APOGEE abundances for these elements, some of which are unable to be measured with APOGEE's current, grid-based approach without computationally expensive expansions. This new catalog can be used alongside APOGEE and provides measurements for many scientific applications ranging from nuclear physics to Galactic chemical evolution and Milky Way population studies. To illustrate this we show some examples of uses for this catalog, such as showing that we observe stars with enhanced s-process abundances or that we can use the C-12/C-13 ratios to explore extra mixing along the red giant branch.

The goal of the Open Cluster Chemical Abundances and Mapping (OCCAM) survey is to constrain key Galactic dynamic and chemical evolution parameters by the construction and analysis of a large, comprehensive, uniform data set of infrared spectra for stars in hundreds of open clusters. This sixth contribution from the OCCAM survey presents analysis of SDSS/APOGEE Data Release 17 (DR17) results for a sample of stars in 150 open clusters, 94 of which we designate to be "high-quality" based on the appearance of their color-magnitude diagram. We find the APOGEE DR17-derived [Fe/H] values to be in good agreement with those from previous high-resolution spectroscopic open cluster abundance studies. Using a subset of the high-quality sample, the Galactic abundance gradients were measured for 16 chemical elements, including [Fe/H], for both Galactocentric radius (R (GC)) and guiding center radius (R (guide)). We find an overall Galactic [Fe/H] versus R (GC) gradient of -0.073 +/- 0.002 dex kpc(-1) over the range of 6 > R (GC) < 11.5 kpc, and a similar gradient is found for [Fe/H] versus R (guide). Significant Galactic abundance gradients are also noted for O, Mg, S, Ca, Mn, Na, Al, K, and Ce. Our large sample additionally allows us to explore the evolution of the gradients in four age bins for the remaining 15 elements.

We apply a novel statistical analysis to measurements of 16 elemental abundances in 34,410 Milky Way disk stars from the final data release (DR17) of APOGEE-2. Building on recent work, we fit median abundance ratio trends [X/Mg] versus [Mg/H] with a 2-process model, which decomposes abundance patterns into a "prompt" component tracing core-collapse supernovae and a "delayed" component tracing Type Ia supernovae. For each sample star, we fit the amplitudes of these two components, then compute the residuals Delta[X/H] from this two-parameter fit. The rms residuals range from similar to 0.01-0.03 dex for the most precisely measured APOGEE abundances to similar to 0.1 dex for Na, V, and Ce. The correlations of residuals reveal a complex underlying structure, including a correlated element group comprised of Ca, Na, Al, K, Cr, and Ce and a separate group comprised of Ni, V, Mn, and Co. Selecting stars poorly fit by the 2-process model reveals a rich variety of physical outliers and sometimes subtle measurement errors. Residual abundances allow for the comparison of populations controlled for differences in metallicity and [alpha/Fe]. Relative to the main disk (R = 3-13 kpc), we find nearly identical abundance patterns in the outer disk (R = 15-17 kpc), 0.05-0.2 dex depressions of multiple elements in LMC and Gaia Sausage/Enceladus stars, and wild deviations (0.4-1 dex) of multiple elements in omega Cen. The residual abundance analysis opens new opportunities for discovering chemically distinctive stars and stellar populations, for empirically constraining nucleosynthetic yields, and for testing chemical evolution models that include stochasticity in the production and redistribution of elements.

FUV spectra of eta Car, recorded across two decades with HST/STIS, document multiple changes in resonant lines caused by dissipating extinction in our line of sight. The FUV flux has increased nearly tenfold, which has led to increased ionization of the multiple shells within the Homunculus and photodestruction of H-2. Comparison of observed resonant line profiles with CMFGEN model profiles allows separation of wind-wind collision and shell absorptions from the primary wind P Cygni profiles. The dissipating occulter preferentially obscured the central binary and interacting winds relative to the very extended primary wind. We are now able to monitor changes in the colliding winds with orbital phase. High-velocity transient absorptions occurred across the most recent periastron passage, indicating acceleration of the primary wind by the secondary wind, which leads to a downstream, high-velocity bow shock that is newly generated every orbital period. There is no evidence of changes in the properties of the binary winds.

Large-scale multiconfiguration Dirac-Hartree-Fock calculations are provided for the n <= 5 states in C-like ions from O iii to Mg vii. Electron correlation effects are accounted for by using large configuration state function expansions, built from sets of orbitals with principal quantum numbers n <= 10. An accurate and complete data set of excitation energies, wavelengths, radiative transition parameters, and lifetimes is offered for the 156 (196, 215, 272, 318) lowest states of the 2s (2)2p (2), 2s2p (3), 2p (4), 2s (2)2p3s, 2s (2)2p3p, 2s (2)2p3d, 2s2p (2)3s, 2s2p (2)3p, 2s2p (2)3d, 2p (3)3s, 2p (3)3p, 2p (3)3d, 2s (2)2p4s, 2s (2)2p4p, 2s (2)2p4d, 2s (2)2p4f, 2s2p (2)4s, 2s2p (2)4p, 2s2p (2)4d, 2s2p (2)4f, 2s (2)2p5s, 2s (2)2p5p, 2s (2)2p5d, 2s (2)2p5f, and 2s (2)2p5g configurations in O iii (F iv, Ne v, Na vi, Mg vii). By comparing available experimental wavelengths with the MCDHF results, the previous line identifications for the n = 5, 4, 3 -> n = 2 transitions of Na vi in the X-ray and EUV wavelength range are revised. For several previous identifications discrepancies are found, and tentative new (or revised) identifications are proposed. A consistent atomic data set including both energy and transition data with spectroscopic accuracy is provided for the lowest hundreds of states for C-like ions from O iii to Mg vii.

Large-scale surveys open the possibility to investigate Galactic evolution both chemically and kinematically; however, reliable stellar ages remain a major challenge. Detailed chemical information provided by high-resolution spectroscopic surveys of the stars in clusters can be used as a means to calibrate recently developed chemical tools for age-dating field stars. Using data from the Open Cluster Abundances and Mapping survey, based on the Sloan Digital Sky Survey/Apache Point Observatory Galactic Evolution Experiment 2 survey, we derive a new empirical relationship between open cluster stellar ages and the carbon-to-nitrogen ([C/N]) abundance ratios for evolved stars, primarily those on the red giant branch. With this calibration, [C/N] can be used as a chemical clock for evolved field stars to investigate the formation and evolution of different parts of our Galaxy. We explore how mixing effects at different stellar evolutionary phases, like the red clump, affect the derived calibration. We have established the [C/N]-age calibration for APOGEE Data Release 17 (DR17) giant star abundances to be log [Age(yr)](DR17) = 10.14 (+/- 0.08) + 2.23(+/- 0.19) [C/N], usable for 8.62 <= log(Age[yr]) <= 9.82, derived from a uniform sample of 49 clusters observed as part of APOGEE DR17 applicable primarily to metal-rich, thin- and thick-disk giant stars. This measured [C/N]-age APOGEE DR17 calibration is also shown to be consistent with asteroseismic ages derived from Kepler photometry.

Individual chemical abundances for 14 elements (C, O, Na, Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, and Ni) are derived for a sample of M dwarfs using high-resolution, near-infrared H-band spectra from the Sloan Digital Sky Survey-IV/Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. The quantitative analysis included synthetic spectra computed with 1D LTE plane-parallel MARCS models using the APOGEE Data Release 17 line list to determine chemical abundances. The sample consists of 11 M dwarfs in binary systems with warmer FGK dwarf primaries and 10 measured interferometric angular diameters. To minimize atomic diffusion effects, [X/Fe] ratios are used to compare M dwarfs in binary systems and literature results for their warmer primary stars, indicating good agreement (<0.08 dex) for all studied elements. The mean abundance difference in primaries minus this work's M dwarfs is -0.05 +/- 0.03 dex. It indicates that M dwarfs in binary systems are a reliable way to calibrate empirical relationships. A comparison with abundance, effective temperature, and surface gravity results from the APOGEE Stellar Parameter and Chemical Abundances Pipeline (ASPCAP) Data Release 16 finds a systematic offset of [M/H], T (eff), log g = +0.21 dex, -50 K, and 0.30 dex, respectively, although ASPCAP [X/Fe] ratios are generally consistent with this study. The metallicities of the M dwarfs cover the range of [Fe/H] = -0.9 to +0.4 and are used to investigate Galactic chemical evolution via trends of [X/Fe] as a function of [Fe/H]. The behavior of the various elemental abundances [X/Fe] versus [Fe/H] agrees well with the corresponding trends derived from warmer FGK dwarfs, demonstrating that the APOGEE spectra can be used to examine Galactic chemical evolution using large samples of selected M dwarfs.

Atomic properties of n = 3 levels for W47+ - W55+ ions (Z = 74) are systematically calculated using two different and independent methods, namely, the second-order many-body perturbation theory and the multi-configuration Dirac-Hartree-Fock method combined with the relativistic configuration interaction approach. Wavelengths and transition rates for electric-and magnetic-dipole transitions involving the n = 3 levels of W47+ - W55+ are calculated. In addition, we discuss in detail the importance of the valence and core-valence electron correlations, the Breit interaction, the higher-order frequency-dependent retardation correction, and the leading quantum electrodynamical corrections for transition wavelengths. Spectroscopic accuracy is achieved for the present calculated wavelengths, and most of them agree with experimental values within 0.05%. Our calculated wavelengths, combined with collisional radiative model simulations, are used to identify the yet unidentified 25 observed lines in the extremely complex spectrum between 27 angstrom and 34 angstrom measured by Lennartsson et al. [Phys. Rev. A 87, 062505 (2013)]. We provide additional data for 472 strong electric-dipole transitions in the wavelength range of 17-50 angstrom, and 185 strong magnetic-dipole transitions between 36 angstrom and 4384 angstrom, with a line intensity greater than 1 photon/s. These can provide benchmark data for future experiments and theoretical calculations.