non-LTE Model Research Articles

Unveiling the Evolutionary State of Three B Supergiant Stars: PU Gem, ϵ CMa, and η CMa

We aim to combine asteroseismology, spectroscopy, and evolutionary models to establish a comprehensive picture of the evolution of Galactic blue supergiant stars (BSG). To start such an investigation, we selected three BSG candidates for our analysis: HD 42087 (PU Gem), HD 52089 (ϵ CMa), and HD 58350 (η CMa). These stars show pulsations and were suspected to be in an evolutionary stage either preceding or succeding the red supergiant (RSG) stage. For our analysis, we utilized the 2-min cadence TESS data to study the photometric variability, and we obtained new spectroscopic observations at the CASLEO observatory. We used non-LTE radiative transfer models calculated with CMFGEN to derive their stellar and wind parameters. For the fitting procedure, we included CMFGEN models in the iterative spectral analysis pipeline XTgrid to determine their CNO abundances. The spectral modeling was limited to changing only the effective temperature, surface gravity, CNO abundances, and mass-loss rates. Finally, we compared the derived metal abundances with prediction from Geneva stellar evolution models. The frequency spectra of all three stars show stochastic oscillations and indications of one nonradial strange mode, fr= 0.09321 d−1 in HD 42087 and a rotational splitting centred in f2= 0.36366 d−1 in HD 52089. We conclude that the rather short sectoral observing windows of TESS prevent establishing a reliable mode identification of low frequencies connected to mass-loss variabilities. The spectral analysis confirmed gradual changes in the mass-loss rates, and the derived CNO abundances comply with the values reported in the literature. We were able to achieve a quantitative match with stellar evolution models for the stellar masses and luminosities. However, the spectroscopic surface abundances turned out to be inconsistent with the theoretical predictions. The stars show N enrichment, typical for CNO cycle processed material, but the abundance ratios did not reflect the associated levels of C and O depletion. We found HD 42087 to be the most consistent with a pre-RSG evolutionary stage, HD 58350 is most likely in a post-RSG evolution and HD 52089 shows stellar parameters compatible with a star at the TAMS.

Chemical homogeneity and sulfur deficiency in the early B-type stars of the λ Orionis group

ABSTRACT We present a detailed abundance analysis of nine early B-type stars in the λ Orionis group. High- and medium-resolution spectra of the target stars were observed at the Ankara University Kreiken Observatory or acquired from the European Southern Observatory and Observatoire de Haute-Provence archives. The atmospheric parameters of each star were estimated from the hydrogen Balmer, ionized silicone, and helium lines. Non-LTE model atmosphere calculations determined the precise abundances of helium, carbon, nitrogen, oxygen, neon, magnesium, silicon, sulfur, and iron from the spectra of each target star. While the abundances of the light elements He, C, N, O, Ne, Si, and also Fe are close to solar, Mg, Al, and S are deficient, and Ar is overabundant compared to the Sun. The phosphorus absorption lines were only accessible on the optical spectra of HD 43112, HD 34989, 37 Ori, and HD 36895. The phosphorus mean abundance values of these four stars are underabundant compared to the Sun. Argon was only detected on the spectra of HD 43112 and HD 36262 and showed an overabundance of 0.33 dex. The sulfur element deficiency was detected in all stars except for 35 Orionis. Sulfur may be a good signature to distinguish the λ Orionis group members from the Orion star-forming complex. Overall, chemical homogeneity was detected in all B-type star members of the λ Orionis group. Furthermore, the mass and age of each member were calculated and plotted on the H–R diagram.

A Spectroscopic Thermometer: Individual Vibrational Band Spectroscopy with the Example of OH in the Atmosphere of WASP-33b

Individual vibrational band spectroscopy presents an opportunity to examine exoplanet atmospheres in detail, by distinguishing where the vibrational state populations of molecules differ from the current assumption of a Boltzmann distribution. Here, retrieving vibrational bands of OH in exoplanet atmospheres is explored using the hot Jupiter WASP-33b as an example. We simulate low-resolution spectroscopic data for observations with the JWST's NIRSpec instrument and use high-resolution observational data obtained from the Subaru InfraRed Doppler instrument (IRD). Vibrational band–specific OH cross-section sets are constructed and used in retrievals on the (simulated) low- and (real) high-resolution data. Low-resolution observations are simulated for two WASP-33b emission scenarios: under the assumption of local thermal equilibrium (LTE) and with a toy non-LTE model for vibrational excitation of selected bands. We show that mixing ratios for individual bands can be retrieved with sufficient precision to allow the vibrational population distributions of the forward models to be reconstructed. A fit for the Boltzmann distribution in the LTE case shows that the vibrational temperature is recoverable in this manner. For high-resolution, cross-correlation applications, we apply the individual vibrational band analysis to an IRD spectrum of WASP-33b, applying an “unpeeling” technique. Individual detection significances for the two strongest bands are shown to be in line with Boltzmann-distributed vibrational state populations, consistent with the effective temperature of the WASP-33b atmosphere reported previously. We show the viability of this approach for analyzing the individual vibrational state populations behind observed and simulated spectra, including reconstructing state population distributions.

Self-consistent and detailed opacities from a non-equilibrium average-atom model.

Modern density functional theory (DFT) is a powerful tool for accurately predicting self-consistent material properties such as equations of state, transport coefficients and opacities in high energy density plasmas, but it is generally restricted to conditions of local thermodynamic equilibrium (LTE) and produces only averaged electronic states instead of detailed configurations. We propose a simple modification to the bound-state occupation factor of a DFT-based average-atom model that captures essential non-LTE effects in plasmas-including autoionization and dielectronic recombination-thus extending DFT-based models to new regimes. We then expand the self-consistent electronic orbitals of the non-LTE DFT-AA model to generate multi-configuration electronic structure and detailed opacity spectra. This article is part of the theme issue 'Dynamic and transient processes in warm dense matter'.

Dense Molecular Gas Properties of the Central Kiloparsec of Nearby Ultraluminous Infrared Galaxies Constrained by ALMA Three Transition-line Observations

We report the results of Atacama Large Millimeter/submillimeter Array (ALMA) 1–2 kpc resolution, three rotational transition-line (J = 2–1, J = 3–2, and J = 4–3) observations of multiple dense molecular gas tracers (HCN, HCO+, and HNC) for 10 nearby (ultra)luminous infrared galaxies ((U)LIRGs). Following the matching of beam sizes to 1–2 kpc for each (U)LIRG, the high-J-to-low-J transition-line flux ratios of each molecule and the emission-line flux ratios of different molecules at each J transition are derived. We conduct RADEX non-LTE model calculations and find that, under a wide range of gas density and kinetic temperature, the observed HCN-to-HCO+ flux ratios in the overall (U)LIRGs are naturally reproduced with enhanced HCN abundance compared to HCO+. Thereafter, molecular gas properties are constrained primarily through the use of HCN and HCO+ data and the adoption of fiducial values for the HCO+ column density and HCN-to-HCO+ abundance ratio. We quantitatively confirm the following: (i) molecular gas at the (U)LIRGs’ nuclei is dense (≳103–4 cm−3) and warm (≳100 K), (ii) the molecular gas density and temperature in nine ULIRGs’ nuclei are significantly higher than those of one LIRG’s nucleus, (iii) molecular gas in starburst-dominated sources tends to be less dense and cooler than ULIRGs with luminous AGN signatures. For six selected sources, we also apply a Bayesian approach by freeing all parameters and support the above main results. Our ALMA 1–2 kpc resolution, multiple transition-line data of multiple molecules are a very powerful tool for scrutinizing the properties of molecular gas concentrated around luminous energy sources in nearby (U)LIRGs’ nuclei.

Collisional excitation of C2H- by H2: New interaction potential and scattering calculations.

Interstellar anions play an important role in astrochemistry as being tracers of the physical and chemical conditions in cold molecular clouds and circumstellar gas. The local thermodynamic equilibrium is generally not fulfilled in media where anions are detected and radiative and collisional data are required to model the observed lines. The C2H- anion has not yet been detected in the interstellar medium; however, collisional data could be used for non-LTE models that would help in identifying the most intense lines. For this purpose, we have computed the first 4D potential energy surface (PES) of the C2H--H2 complex using an explicitly correlated coupled-cluster approach. The PES is characterized by a single deep minimum with a well-depth of 924.96 cm-1. From this interaction potential, we derived excitation cross sections and rate coefficients of C2H- induced by collisions with para- and ortho-H2. The results obtained for collisions with para-H2 are compared to previous calculations performed using a 2D-PES obtained from an average over H2 rotations.

K-shell radiation and bright spot characteristics of high-energy-density Fe-Cr-Ni plasmas influenced by X-pinch load geometry

K-shell radiation is diagnostically advantageous for the study of high-energy-density plasmas. The current work investigates the influence of load geometry on K-shell x-rays in Z-pinch plasmas produced on the 1-MA Zebra generator. Stainless steel (Fe: 69%, Cr: 20%, Ni: 9%) X-pinch wire loads are fielded with an interwire angle of 31° (small-angle) or 62.5° (large-angle), respectively and studied using various x-ray diode, imaging, and spectroscopic diagnostics. The large-angle geometry produced large, individual x-ray-emitting bright spots (> 3 keV) at the wire cross-point averaging areas ≥ 1 mm2, with noteworthy soft x-ray (> 0.75 keV) bursts and radiation yields ≤ 14.6 kJ. The small-angle geometry produced multiple x-ray-emitting bright spots extending the pinch axis with smaller average sizes (≤ 0.5 mm2), consistent with stronger current, increased radiation yield (≥ 15.5 kJ), and notable hard x-ray (> 9 keV) bursts, which peak with largest cumulative bright spot size. Spectroscopic analysis is performed with non-LTE collisional-radiative modeling, indicating a cold, nonthermal plasma region radiating from neutral to Ne-like ions, a hot, thermal region radiating from Fe and Cr He- and Li-like ions, and an intermediate region radiating Kα satellites from Li-like to O-like ions. Modeling of the nonthermal and satellite features imply a fractional hot electron abundance ∼0.1% and ∼0.5% for large- and small-angle geometries, respectively. Relative intensity analysis is performed on Heα and Kα lines, revealing intensity ratios that deviate from the original wire composition. Optical depth estimates allude to optically thick, thermal K-shell plasmas with densities consistent with non-LTE modeling.

Quantitative spectroscopy of late O-type main-sequence stars with a hybrid non-LTE method

Context. Late O-type stars at luminosities log L/L⊙ ≲ 5.2 show weak winds with mass-loss rates lower than 10−8 M⊙ yr−1. This implies that, unlike their more massive and more luminous siblings, their photospheric layers are not strongly affected by the stellar wind. Aims. A hybrid non-local thermodynamic equilibrium (non-LTE) approach – line-blanketed hydrostatic model atmospheres computed under the assumption of LTE in combination with non-LTE line-formation calculations – is tested for analyses of late O-type stars with masses up to ~25 M⊙. A sample of 20 mostly sharp-lined Galactic O stars of spectral types O8 to O9.7 and luminosity classes V and IV, previously studied in the literature using full non-LTE model atmospheres, is investigated. Methods. Hydrostatic and plane-parallel atmospheric structures and synthetic spectra computed with Kurucz’s ATLAS12 code together with the non-LTE line-formation codes DETAIL and SURFACE, which account for the effects of turbulent pressure on the atmosphere, were employed. High-resolution spectra were analysed for atmospheric parameters using hydrogen lines, multiple ionisation equilibria, and elemental abundances. Fundamental stellar parameters were derived by considering stellar evolution tracks and Gaia Early Data Release 3 (EDR3) parallaxes. Interstellar reddening was characterised by fitting spectral energy distributions from the UV to the mid-IR. Results. A high precision and accuracy is achieved for all derived parameters for 16 sample stars (4 objects show composite spectra). Turbulent pressure effects turn out to be significant for the quantitative analysis. Effective temperatures are determined to 1–3% uncertainty levels, surface gravities to 0.05 to 0.10 dex, masses to better than 8%, radii to better than 10%, and luminosities to better than 20% uncertainty typically. Abundances for C, N, O, Ne, Mg, Al, and Si are derived with uncertainties of 0.05–0.10 dex and for helium within 0.03–0.05 dex (1σ standard deviations) in general. Overall, results from previous studies using unified photosphere plus wind (full) non-LTE model atmospheres are reproduced, and with higher precision. The improvements are most pronounced for elemental abundances, and smaller microturbulent velocities are found. An overall good agreement is found between our spectroscopic distances and those from Gaia. Gaia EDR3-based distances to the Lac OB1b association and to the open clusters NGC 2244, IC 1805, NGC 457, and IC 1396 are determined as a byproduct. The derived N/C versus N/O abundance ratios tightly follow the predictions from stellar evolution models. Two ON stars show a very high degree of mixing of CNO-processed material and appear to stem from binary evolution.

A New Study on a Type Iax Stellar Remnant and its Probable Association with SN 1181

We report observations and modeling of the stellar remnant and presumed double-degenerate merger of Type Iax supernova Pa 30, which is the probable remnant of SN 1181 AD. It is the only known bound stellar SN remnant and the only star with Wolf–Rayet features that is neither a planetary nebula central star nor a massive Population I progenitor. We model the unique emission-line spectrum with broad, strong O vi and O viii lines as a fast stellar wind and shocked, hot gas. Non-LTE wind modeling indicates a mass-loss rate of ∼10−6 M ⊙ yr−1 and a terminal velocity of ∼15,000 km s−1, consistent with earlier results. O viii lines indicate shocked gas temperatures of T ≃ 4 MK. We derive a magnetic field upper limit of B < 2.5 MG, below earlier suggestions. The luminosity indicates a remnant mass of 1.0–1.65 M ⊙ with ejecta mass 0.15 ± 0.05 M ⊙. Archival photometry suggests the stellar remnant has dimmed by ∼0.5 mag over 100 yr. A low Ne/O < 0.15 argues against an O-Ne white dwarf in the merger. A cold dust shell is only the second detection of dust in an SN Iax and the first of cold dust. Our ejecta mass and kinetic energy estimates of the remnant are consistent with Type Iax extragalactic sources.

The opaque heart of the galaxy IC 860: Analogous protostellar, kinematics, morphology, and chemistry

Compact Obscured Nuclei (CONs) account for a significant fraction of the population of luminous and ultraluminous infrared galaxies (LIRGs and ULIRGs). These galaxy nuclei are compact, with radii of 10–100 pc, with large optical depths at submm and far-infrared wavelengths, and characterized by vibrationally excited HCN emission. It is not known what powers the large luminosities of the CON host galaxies because of the extreme optical depths towards their nuclei. CONs represent an extreme phase of nuclear growth, hiding either a rapidly accreting supermassive black hole or an abnormal mode of star formation. Regardless of their power source, the CONs allow us to investigate the processes of nuclear growth in galaxies. Here we apply principal component analysis (PCA) tomography to high-resolution (0″​​.06) ALMA observations at frequencies 245 to 265 GHz of the nearby CON (59 Mpc) IC 860. PCA is a technique to unveil correlation in the data parameter space, and we apply it to explore the morphological and chemical properties of species in our dataset. The leading principal components reveal morphological features in molecular emission that suggest a rotating, infalling disk or envelope, and an outflow analogous to those seen in Galactic protostars. One particular molecule of astrochemical interest is methanimine (CH2NH), a precursor to glycine, three transitions of which have been detected towards IC 860. We estimate the average CH2NH column density towards the nucleus of IC 860 to be ∼1017cm−2, with an abundance exceeding 10−8 relative to molecular hydrogen, using the rotation diagram method and non-LTE radiative transfer models. This CH2NH abundance is consistent with those found in hot cores of molecular clouds in the Milky Way. Our analysis suggests that CONs are an important stage of chemical evolution in galaxies, that are chemically and morphologically similar to Milky Way hot cores.

Non-LTE spectroscopy of the tetradecad region of methane recorded in a hypersonic flow

Laboratory spectroscopic data is essential for the modeling of hot exoplanet atmospheres, since molecules such as methane, a major component of hot-Jupiter-type exoplanet atmospheres, have a complex vibrational energy structure that makes computational predictions difficult at high temperatures for ro-vibrational transitions involving highly excited vibrational sates. To better inform line lists used in radiative transfer modeling, the ro-vibrational spectrum of methane has been recorded in the tetradecad region between 1.7 and 1.65 μm (5880–6060 cm−1) through non-local thermodynamic equilibrium (non-LTE) cavity ringdown spectroscopy (CRDS). Non-LTE conditions, characterized by a low rotational temperature (∼39 K) and a high vibrational temperature (up to 1130 K), have been obtained by hypersonic expansion of a pre-heated mixture of argon and methane in a contoured Laval nozzle. The high vibrational temperature increases the intensity of new hot bands, while the very low rotational temperature greatly simplifies their rotational structure, thus facilitating their identification. A close comparison of the recorded CRDS data to the TheoReTS database reveals both inefficient vibrational relaxation between polyads and efficient vibrational relaxation between vibrational states forming a polyad. These effects result in an overpopulation of the lowest vibrational energy level of each polyad, an effect not widely currently incorporated in non-LTE radiative transfer models. A series of new hot band transitions originating from the pentad and octad polyads were assigned and are provided as a line list for use in future databases.

Rotational State-to-State Rate Coefficients of HeHNe+ by Collision with He at Low Temperatures

The HeHNe+ molecule is expected to have, after NeH+, the strongest neon bond found so far. Furthermore, formation mechanisms in the interstellar medium (ISM) have been proposed for this molecule. If HeHNe+ is detected, the collisional rate coefficients of this species with the most abundant constituents of the ISM will be critical for employing nonlocal thermodynamic equilibrium (non-LTE) models. Therefore, the main goals of this work are to study the interaction of HeHNe+ with He and to report a set of rotational rate coefficients for this collision at low temperatures. For this purpose, the first potential energy surface for the HeHNe+ + He complex is developed from ab initio calculations. The close-coupling method is employed for studying the dynamics of the system. A |Δj| = 2 propensity rule is found for transitions starting from the rotational state j = 5. Finally, the rate coefficients for the lower 20 rotational states of HeHNe+ are reported.

Titanium abundances in late-type stars

Context. The titanium abundances of late-type stars are important tracers of Galactic formation history. However, abundances inferred from Ti I and Ti II lines can be in stark disagreement in very metal-poor giants. Departures from local thermodynamic equilibrium (LTE) have a large impact on the minority neutral species and thus influence the ionisation imbalance, but satisfactory non-LTE modelling for both dwarfs and giants has not been achieved in the literature. Aims. The reliability of titanium abundances is reassessed in benchmark dwarfs and giants using a new non-LTE model 1D model atmospheres. Methods. A comprehensive model atom was compiled with a more extended level structure and newly published data for inelastic collisions between Ti I and neutral hydrogen. Results. In 1D LTE, the Ti I and Ti II lines agree to within 0.06 dex for the Sun, Arcturus, and the very metal-poor stars HD 84937 and HD 140283. For the very metal-poor giant HD 122563, the Ti I lines give an abundance that is 0.47 dex lower than that from Ti II . The 1D non-LTE corrections can reach +0.4 dex for individual Ti I lines and +0.1 dex for individual Ti II lines, and they reduce the overall ionisation imbalance to −0.17 dex for HD 122563. However, the corrections also increase the imbalance for the very metal-poor dwarf and sub-giant to around 0.2 dex. Conclusions. Using 1D non-LTE reduces the ionisation imbalance in very metal-poor giants but breaks the balance of other very metal-poor stars, consistent with conclusions drawn in the literature. To make further progress, consistent 3D non-LTE models are needed.

Living on the edge of the Milky Way's central molecular zone

Context.The 1°.3 (G1.3) and 1°.6 (G1.6) cloud complexes in the central molecular zone (CMZ) of our Galaxy have been proposed to possibly reside at the intersection region of the X1 and X2 orbits for several reasons. This includes the detection of co-spatial low- and high-velocity clouds, high velocity dispersion, high fractional molecular abundances of shock-tracing molecules, and kinetic temperatures that are higher than for usual CMZ clouds.Aims.By investigating the morphology and deriving physical properties as well as chemical composition, we want to find the origin of the turbulent gas and, in particular, whether evidence of an interaction between clouds can be identified.Methods.We mapped both cloud complexes in molecular lines in the frequency range from 85 to 117 GHz with the IRAM 30 m telescope. The APEX 12m telescope was used to observe higher frequency transitions between 210 and 475 GHz from selected molecules that are emitted from higher energy levels. We performed non-local thermodynamic equilibrium (non-LTE) modelling of the emission of an ensemble of CH3CN lines to derive kinetic temperatures and H2volume densities. These were used as starting points for non-LTE modelling of other molecules, for which column densities and abundances were determined and compared with values found for other sources in the CMZ.Results.The kinematic structure of G1.3 reveals an ‘emission bridge’ at intermediate velocities (~150 km s−1) connecting low-velocity (~100 km s−1) and high-velocity (~180 km s−1) gas and an overall fluffy shell-like structure. These may represent observational evidence of cloud-cloud interactions. Low- and high-velocity gas components in G1.6 do not show this type of evidence of an interaction, suggesting that they are spatially separated. We selected three positions in each cloud complex for further analysis. Each position reveals several gas components at various peak velocities and of various line widths. We derived kinetic temperatures of 60–100 K and H2volume densities of 104–105cm−3in both complexes. Molecular abundances relative to H2suggest a similar chemistry of the two clouds, which is moreover similar to that of other GC clouds and, especially, agrees well with that of G+0.693 and G−0.11.Conclusions.We conclude that G1.3 may indeed exhibit signs of cloud-cloud interactions. In particular, we propose an interaction of gas that is accreted from the near-side dust lane to the CMZ, with gas pre-existing at this location. Low- and high-velocity components in G1.6 are rather coincidentally observed along the same line of sight. They may be associated with either overshot decelerated gas from the far-side dust line or actual CMZ gas and high-velocity gas moving on a dust lane. These scenarios would be in agreement with numerical simulations.

Submillimeter observations of molecular gas interacting with the supernova remnant W28

Context. Supernovae (SNe) inject large amounts of energy and chemically enriched materials into their surrounding interstellar medium and, in some instances, into molecular clouds (MCs). The interaction of a supernova remnant (SNR) with a MC plays a crucial role in the evolution of the cloud’s physical and chemical properties. Despite their importance, only a handful of studies have been made addressing the molecular richness in molecular clouds impacted by SNRs. (Sub)millimter wavelength observations of MCs affected by SNRs can be used to build a census of their molecular richness, which in turn can motivate various chemical and physical models aimed at explaining the chemical evolution of the clouds. Aims. We carried out multi-molecule and multi-transition observations toward the molecular region F abutting the SNR W28, containing 1720 MHz OH masers, well-established tracers of SNR-MC interactions. We used the detected lines to constrain the physical conditions of this region. Methods. We used the APEX Telescope to observe molecular lines in the frequency range 213–374 GHz. We used non-local thermodynamic equilibrium (non-LTE) RADEX modeling to interpret the observational data. Results. We detected emission from multiple molecular species in the region, namely CH3OH, H2CO, SO, SiO, CN, CCH, NO, CS, HCO+, HCN, HNC, N2H+, CO, and from the isotopologues of some of them. We report the first detection of thermally excited (nonmaser) CH3OH emission toward a SNR. Employing non-LTE RADEX modeling of multiple H2CO and CH3OH lines, we constrained the kinetic temperature and spatial density in the molecular gas. The gas kinetic temperatures range from 60 to 100 K while the spatial density of the gas ranges from 9 × 105 to 5 × 106 cm−3. We obtained an ortho-para ratio ~2 for H2CO, which indicates that formaldehyde is most likely formed on dust grain surfaces and not in the gas phase. Conclusions. Our results show that molecules as complex as H2CO and CH3OH can be detected in SNR-MC interactions. This could motivate chemical modeling to explore their formation pathways.

Investigating Anomalous Photochemistry in the Inner Wind of IRC+10216 through Interferometric Observations of HC3N

In recent years, many questions have arisen regarding the chemistry of photochemical products in the carbon-rich winds of evolved stars. To address them, it is imperative to constrain the distributions of such species through high-angular-resolution interferometric observations covering multiple rotational transitions. We used archival Atacama Large Millimeter/submillimeter Array observations to map rotational lines involving high energy levels of cyanoacetylene (HC3N) toward the inner envelope (radius < 8″/1000 au) of the carbon star IRC+10216. The observed lines include the J = 28 − 27, J = 30 − 29, and J = 38 − 37 transitions of HC3N in its ground vibrational state. In contrast to previous observations of linear carbon chains toward this asymptotic giant branch (AGB) star that show extended, hollow emission at 15″–20″ radii (e.g., C4H, C6H, and HC5N), the maps of the HC3N lines here show compact morphologies comprising various arcs and density enhancements, with significant emission from gas clumps at an angular distance of ∼3″ (350 au) from the central AGB star. We compared visibility sampled non-LTE radiative transfer models with the observed brightness distributions, and derive a fractional abundance with respect to H2 of 10−8 for HC3N at the radii probed by these lines. These results are consistent with enhanced photochemistry occurring in warm (∼200 K) regions of the circumstellar envelope. After application of a specialized chemical model for IRC+10216, we find evidence that the enhanced HC3N abundances in the inner wind are most likely due to a solar-type binary companion initiating photochemistry in this region.

Quantitative spectroscopy of B-type supergiants

Context. B-type supergiants are versatile tools to address a number of highly-relevant astrophysical topics, ranging from stellar atmospheres over stellar and galactic evolution to the characterisation of interstellar sightlines and to the cosmic distance scale. Aims. A hybrid non-local thermodynamic equilibrium (LTE) approach, involving line-blanketed model atmospheres computed under the assumption of LTE in combination with line formation calculations that account for deviations from LTE, is tested for quantitative analyses of B-type supergiants of mass up to about 30 M⊙, characterising a sample of 14 Galactic objects in a comprehensive way. Methods. Hydrostatic plane-parallel atmospheric structures and synthetic spectra computed with Kurucz’s ATLAS 12 code together with the non-LTE line-formation codes DETAIL/SURFACE are compared to results from full non-LTE calculations with TLUSTY, and the effects of turbulent pressure on the models are investigated. High-resolution spectra at signal-to-noise ratio &gt;130 are analysed for atmospheric parameters, using Stark-broadened hydrogen lines and multiple metal ionisation equilibria, and for elemental abundances. Fundamental stellar parameters are derived by considering stellar evolution tracks and Gaia early data release 3 (EDR3) parallaxes. Interstellar reddening and the reddening law along the sight lines towards the target stars are determined by matching model spectral energy distributions to observed ones. Results. Our hybrid non-LTE approach turns out to be equivalent to hydrostatic full non-LTE modelling for the deeper photospheric layers of the B-type supergiants under consideration, where most lines of the optical spectrum are formed. Turbulent pressure can become relevant for microturbulent velocities larger than 10 km s−1. The changes in the atmospheric density structure affect many diagnostic lines, implying systematic changes in atmospheric parameters, for instance an increase in surface gravities by up to 0.05 dex. A high precision and accuracy is achieved for all derived parameters by bringing multiple indicators to agreement simultaneously. Effective temperatures are determined to 2–3% uncertainty, surface gravities to better than 0.07 dex, masses to about 5%, radii to about 10%, luminosities to better than 25%, and spectroscopic distances to 10% uncertainty typically. Abundances for chemical species that are accessible from the optical spectra (He, C, N, O, Ne, Mg, Al, Si, S, Ar, and Fe) are derived with uncertainties of 0.05–0.10 dex (1σ standard deviations). The observed spectra are reproduced well by the model spectra. The derived N/C versus N/O ratios tightly follow the predictions from Geneva stellar evolution models that account for rotation, and spectroscopic and Gaia EDR3 distances are closely matched. Finally, the methodology is tested for analyses of intermediate-resolution spectra of extragalactic B-type supergiants.

3D non-LTE iron abundances in FG-type dwarfs

Iron is one of the most important elements in-stellar astrophysics. However, spectroscopic measurements of its abundance are prone to systematic modelling errors. We present three dimensional non-local thermodynamic equilibrium (3D non-LTE) calculations across 32 STAGGER-grid models with effective temperatures from 5000 K to 6500 K, surface gravities of 4.0 dex and 4.5 dex, and metallicities from −3 dex to 0 dex, and we study the effects on 171 Fe i and 12 Fe ii optical lines. In warm metal-poor stars, the 3D non-LTE abundances are up to 0.5 dex larger than 1D LTE abundances inferred from Fe i lines of an intermediate excitation potential. In contrast, the 3D non-LTE abundances can be 0.2 dex smaller in cool metal-poor stars when using Fe i lines of a low excitation potential. The corresponding abundance differences between 3D non-LTE and 1D non-LTE are generally less severe but can still reach ±0.2 dex. For Fe ii lines, the 3D abundances range from up to 0.15 dex larger to 0.10 dex smaller than 1D abundances, with negligible departures from 3D LTE except for the warmest stars at the lowest metallicities. The results were used to correct 1D LTE abundances of the Sun and Procyon (HD 61421), and of the metal-poor stars HD 84937 and HD 140283, using an interpolation routine based on neural networks. The 3D non-LTE models achieve an improved ionisation balance in all four stars. In the two metal-poor stars, they removed excitation imbalances amounting to 250 K to 300 K errors in effective temperature. For Procyon, the 3D non-LTE models suggest [Fe/H] = 0.11 ± 0.03, which is significantly larger than literature values based on simpler models. We make the 3D non-LTE interpolation routine for FG-type dwarfs publicly available, in addition to 1D non-LTE departure coefficients for standard MARCS models of FGKM-type dwarfs and giants. These tools, together with an extended 3D LTE grid for Fe ii from 2019, can help improve the accuracy of stellar parameter and iron abundance determinations for late-type stars.

The effect of scattering calculations on non-LTE modelling of the C3O and C5O abundances in TMC-1

ABSTRACT Tricarbon and pentacarbon monoxides have been detected towards the Taurus Molecular Cloud (TMC-1) with relatively important abundances. Understanding the chemical formation of these molecules requires interpreting their observational spectra by mean of non-local thermodynamical equilibrium modelling. For this purpose, we report rate coefficients of C3O and C5O induced by collision with He for temperatures up to 100 K. These data are obtained by calculating inelastic cross sections for the 31 low-lying rotational levels of C3O and C5O using the close-coupling approach. The comparison of the new rate coefficients with those of HC3N and HC5N, previously used to interpret the observational spectra of C3O and C5O, reveals differences of up to an order of magnitude. The effect of the new collisional rate coefficients in radiative transfer calculations is checked by computing the excitation temperatures for some transitions and simulating the C3O and C5O column densities observed towards TMC-1. Our findings suggest that the use of HCnN as template for CnO may lead to local thermodynamic equilibrium conditions for gas densities as low as ∼103 cm−3. Regarding the interpretation of the observational spectra, using radiative transfer modelling based on the actual CnO collisional rate coefficients instead of rotational diagram analysis leads to underestimate the column densities reported in the literature by up to 25 per cent and accordingly the C3O/ C5O abundance ratio by up to 50 per cent. We expect that the new rate coefficients and the radiative transfer calculations presented in this work will encourage further modellings of the CnO abundance and accordingly constrain the chemistry.

An accurate set of H3O+ − H2 collisional rate coefficients for non-LTE modelling of warm interstellar clouds

ABSTRACT Hydronium (H3O+) was first detected in 1986 in interstellar molecular clouds. It was reported in many Galactic diffuse and dense regions, as well as in extragalactic sources. H3O+ plays a major role both in interstellar oxygen and water chemistry. However, despite the large number of H3O+ observations, its collisional excitation was investigated only partially. In this work, we study the state-to-state rotational (de-)excitation of ortho- and para-H3O+ in collisions both with ortho- and para-H2. The cross sections are calculated within the close-coupling formalism using a highly accurate potential energy surface developed for this system. The rate coefficients are computed up to a kinetic temperature of 300 K. Transitions between the lowest 21 rotation-inversion states were studied for para-H3O+, and the lowest 11 states for ortho-H3O+, i.e. all levels with rotational energies below 430 K (∼300 cm−1) are considered. In order to estimate the impact of the new rate coefficients on the astrophysical models for H3O+, radiative transfer calculations were also carried out. We have examined how the new collisional data affect the line intensities with respect to older data previously used for the interpretation of observations. By analysing all detected transitions we find that our new, accurate rate coefficients have a significant impact (typically within a factor of 2) on radiation temperatures, allowing more accurate estimation of column densities and relative abundances of hydronium, especially in warm molecular clouds, paving the path towards better interpretation of interstellar water and oxygen chemistry.