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Paul S. Barklem

Publications and source records attributed to Paul S. Barklem.

At least 19 recordsLinked to original sources
arXiv2024

Revisiting the statistical equilibrium of H$^-$ in stellar atmospheres

The negative hydrogen ion H$^-$ is, almost without exception, treated in local thermodynamic equilibrium (LTE) in the modelling of F, G, and K stars, where it is the dominant opacity source in the visual spectral region. This assumption rests in practice on a study from the 1960s. Since that work, knowledge of relevant atomic processes and theoretical calculations of stellar atmospheres and their spectra have advanced significantly, but this question has not been reexamined. We present calculations based on a slightly modified analytical model that includes H, H$_2$, and H$^-$, together with modern atomic data and a grid of 1D LTE theoretical stellar atmosphere models with stellar parameters ranging from T$_\mathrm{eff} = 4000$ to 7000~K, $\log{g} = 1$ to 5 cm/s$^2$, and [Fe/H]$=-3$ to 0. We find direct non-LTE effects on populations in spectrum-forming regions, continua, and spectral lines of about 1-2% in stars with higher T$_\mathrm{eff}$ and/or lower $\log g$. Effects in models for solar parameters are smaller by a factor of 10, about 0.1-0.2%, and are practically absent in models with lower T$_\mathrm{eff}$ and/or higher $\log g$. These departures from LTE found in our calculations originate from the radiative recombination of electrons with hydrogen to form H$^-$ exceeding photodetachment, that is, overrecombination. Modern atomic data are not a source of significant differences compared to the previous work, although detailed data for processes on H$_2$ resolved with vibrational and rotational states provide a more complete and complex picture of the role of H$_2$ in the equilibrium of H$^-$. In the context of modern studies of stellar spectra at the percent level, our results suggest that this question requires further attention, including a more extensive reaction network, and indirect effects due to non-LTE electron populations.

astro-ph.SR↗
arXiv2021

Correspondence between the surface integral and linear combination of atomic orbitals methods for ionic-covalent interactions in mutual neutralisation processes involving H$^-$/D$^-$

The surface integral method for estimating ionic-covalent interactions in diatomic systems been successful in producing cross sections for mutual neutralisation (MN) in reasonable agreement with experimental results for branching fractions between final states in systems such as O$^+$/O$^-$ and N$^+$/O$^-$. However, for simpler cases of MN involving H$^-$ or D$^-$, such as Li$^+$/D$^-$ and Na$^+$/D$^-$, it has not produced results that are in agreement with experiments and other theoretical calculations; in particular, for Li$^+$/D$^-$ calculations predict the wrong ordering of importance of final channels, including the incorrect most populated channel. The reason for this anomaly is investigated and a leading constant to the asymptotic H$^-$ wavefunction is found that is different by roughly a factor $1/\sqrt{2}$ to that which has been used in previous calculations with the surface integral method involving H$^-$ or D$^-$. With this correction, far better agreement with both experimental results and with calculations with full quantum and LCAO methods is obtained. Further, it is shown that the surface integral method and LCAO methods have the same asymptotic behaviour, in contrast to previous claims. This result suggests the surface integral method, which is comparatively easy to calculate, has greater potential for estimating MN processes than earlier comparisons had suggested.

physics.atom-ph↗
arXiv2020

Mutual neutralisation in Li$^+$+H$^-$/D$^-$ and Na$^+$+H$^-$/D$^-$ collisions: Implications of experimental results for non-LTE modelling of stellar spectra

Advances in merged-beams instruments have allowed experimental studies of the mutual neutralisation (MN) processes in collisions of both Li$^+$ and Na$^+$ ions with D$^-$ at energies below 1 eV. These experimental results place constraints on theoretical predictions of MN processes of Li$^+$ and Na$^+$ with H$^-$, important for non-LTE modelling of Li and Na spectra in late-type stars. We compare experimental results with calculations for methods typically used to calculate MN processes, namely the full quantum (FQ) approach, and asymptotic model approaches based on the linear combination of atomic orbitals (LCAO) and semi-empirical (SE) methods for deriving couplings. It is found that FQ calculations compare best overall with the experiments, followed by the LCAO, and the SE approaches. The experimental results together with the theoretical calculations, allow us to investigate the effects on modelled spectra and derived abundances and their uncertainties arising from uncertainties in the MN rates. Numerical experiments in a large grid of 1D model atmospheres, and a smaller set of 3D models, indicate that neglect of MN can lead to abundance errors of up to 0.1 dex (26\%) for Li at low metallicity, and 0.2 dex (58\%) for Na at high metallicity, while the uncertainties in the relevant MN rates as constrained by experiments correspond to uncertainties in abundances of much less than 0.01~dex (2\%). This agreement for simple atoms gives confidence in the FQ, LCAO and SE model approaches to be able to predict MN with the accuracy required for non-LTE modelling in stellar atmospheres.

astro-ph.SR↗
arXiv2020

Atomic data for the Gaia-ESO Survey

We describe the atomic and molecular data that were used for the abundance analyses of FGK-type stars carried out within the Gaia-ESO Survey. We present an unprecedented effort to create a homogeneous line list, which was used by several abundance analysis groups to calculate synthetic spectra and equivalent widths. The atomic data are accompanied by quality indicators and detailed references to the sources. The atomic and molecular data are made publicly available in electronic form. In general experimental transition probabilities were preferred but theoretical values were also used. Astrophysical gf-values were avoided due to the model-dependence of such a procedure. For elements whose lines are significantly affected by hyperfine structure or isotopic splitting a concerted effort has been made to collate the necessary data for the individual line components. We also performed a detailed investigation of available data for line broadening due to collisions with neutral hydrogen atoms. Synthetic spectra calculated for the Sun and Arcturus were used to assess the blending properties of the lines. Among a subset of over 1300 lines of 35 elements in the wavelength ranges from 475 nm to 685 nm and from 850 nm to 895 nm we identified about 200 lines of 24 species which have accurate gf-values and are free of blends in the spectra of the Sun and Arcturus. For the broadening due to collisions with neutral hydrogen we recommend data based on Anstee-Barklem-O'Mara theory, where available, and to avoid lines of neutral species otherwise. Theoretical broadening data by R.L. Kurucz should be used for Sc II, Ti II, and Y II lines. For ionised rare-earth species the Unsöld approximation with an enhancement factor of 1.5 for the line width can be used. Desirable improvements in atomic data were identified for a number of species, including Al I, S I, Cr II, Na I, Si I, Ca II, and Ni I.

astro-ph.IM↗
arXiv2020

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral manganese and titanium

Data for inelastic processes due to hydrogen atom collisions with manganese and titanium are needed for accurate modeling of the corresponding spectra in late-type stars. In this work excitation and charge transfer in low-energy Mn+H and Ti+H collisions have been studied theoretically using a method based on an asymptotic two-electron linear combination of an atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model to treat the dynamics. Extensive calculations of charge transfer (mutual neutralization, ion-pair production), excitation and de-excitation processes in the two collisional systems are carried out for all transitions between covalent states dissociating to energies below the first ionic limit and the dominating ionic states. Rate coefficients are determined for temperatures in the range 1000 - 20 000 K in steps of 1000 K. Like for earlier studies of other atomic species, charge transfer processes are found to lead to much larger rate coefficients than excitation processes.

astro-ph.SR↗
arXiv2019

Non-LTE analysis of K I in late-type stars

Older GCE models predict [K/Fe] ratios as much as 1 dex lower than those inferred from stellar observations. Abundances of potassium are mainly based on analyses of the 7698 $Å$ resonance line, and the discrepancy between models and observations is in part caused by the LTE assumption. We study the statistical equilibrium of KI, focusing on the non-LTE effects on the $7698 \ Å$ line. We aim to determine how non-LTE abundances of K can improve the analysis of its chemical evolution, and help to constrain the yields of models. We construct a model atom that employs the most up-to-date data. In particular, we calculate and present inelastic e+K collisional excitation cross-sections from the convergent close-coupling and the $B$-Spline $R$-matrix methods, and H+K collisions from the two-electron model. We constructed a fine grid of non-LTE abundance corrections that span $4000<\teff / \rm{K}<8000$, $0.50<\lgg<5.00$, $-5.00<\feh<+0.50$, and applied the corrections to abundances from the literature. In concordance with previous studies, we find severe non-LTE effects in the $7698 \ Å$ line, which is stronger in non-LTE with abundance corrections that can reach $\sim-0.7\,\dex$. We explore the effects of atmospheric inhomogeneity by computing a full 3D non-LTE stellar spectrum of KI for a test star. We find that 3D is necessary to predict a correct shape of the resonance 7698 $Å$ line, but the line strength is similar to that found in 1D non-LTE. Our non-LTE abundance corrections reduce the scatter and change the cosmic trends of literature K abundances. In the regime [Fe/H]$\lesssim-1.0$ the non-LTE abundances show a good agreement with the GCE model with yields from rotating massive stars. The reduced scatter of the non-LTE corrected abundances of a sample of solar twins shows that line-by-line differential analysis techniques cannot fully compensate for systematic modelling errors.

astro-ph.SR↗
arXiv2018

A collection of model stellar spectra for spectral types B to early-M

Models of stellar spectra are necessary for interpreting light from individual stars, planets, integrated stellar populations, nebulae, and the interstellar medium. We provide a comprehensive and homogeneous collection of synthetic spectra for a wide range of atmospheric parameters and chemical compositions. We compile atomic and molecular data from the literature. We adopt the largest and most recent set of ATLAS9 model atmospheres, and use the radiative code ASS$ε$T.The resulting collection of spectra is made publicly available at medium and high-resolution ($R\equivλ/δλ$ = 10,000, 100,000 and 300,000 spectral grids, which include variations in effective temperature between 3500 K and 30,000 K, surface gravity ($0\le \log g \le 5$), and metallicity ($-5 \le$[Fe/H]$\le +0. 5$), spanning the wavelength interval 120-6500 nm. A second set of denser grids with additional dimensions, [$α$/Fe] and micro-turbulence, are also provided (covering 200-2500 nm). We compare models with observations for a few representative cases.

astro-ph.SR↗
arXiv2018

A New Test of Copper and Zinc Abundances in Late-Type Stars Using Ultraviolet Cu II and Zn II Lines

We present new abundances derived from Cu I, Cu II, Zn I, and Zn II lines in six warm (5766 < Teff < 6427 K), metal-poor (-2.50 < [Fe/H] < -0.95) dwarf and subgiant (3.64 < log g < 4.44) stars. These abundances are derived from archival high-resolution ultraviolet spectra from the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope and ground-based optical spectra from several observatories. Ionized Cu and Zn are the majority species, and abundances derived from Cu II and Zn II lines should be largely insensitive to departures from local thermodynamic equilibrium (LTE). We find good agreement between the [Zn/H] ratios derived separately from Zn I and Zn II lines, suggesting that departures from LTE are, at most, minimal (< 0.1 dex). We find that the [Cu/H] ratios derived from Cu II lines are 0.36 +/- 0.06 dex larger than those derived from Cu I lines in the most metal-poor stars ([Fe/H] < -1.8), suggesting that LTE underestimates the Cu abundance derived from Cu I lines. The deviations decrease in more metal-rich stars. Our results validate previous theoretical non-LTE calculations for both Cu and Zn, supporting earlier conclusions that the enhancement of [Zn/Fe] in metal-poor stars is legitimate, and the deficiency of [Cu/Fe] in metal-poor stars may not be as large as previously thought.

astro-ph.SR↗
arXiv2016

3D NLTE analysis of the most iron-deficient star, SMSS0313-6708

Models of star formation in the early universe depend on the details of accretion, fragmentation and radiative feedback. Different simulations predict different initial mass functions of the first stars, ranging from predominantly low mass (0.1-10 Msol), to massive (10-100 Msol), or even supermassive (100-1000 Msol). The mass distribution of the first stars should lead to unique chemical imprints on the low-mass second and later generation metal-poor stars still in existence. The chemical composition of SMSS0313-6708, which has the lowest abundances of Ca and Fe of any star known, indicates it was enriched by a single massive supernova. However, even weak spectral lines may be affected by strong 3D and NLTE effects in metal-poor stars. If these effects are ignored or treated incorrectly, errors in the inferred abundances may significantly bias the inferred properties of the polluting supernovae. We redetermine the chemical composition of SMSS0313-6708 using 3D NLTE radiative transfer to obtain accurate abundances for Li, Na, Mg, Al, Ca and Fe. The model atoms employ realistic collisional rates, with no calibrated free parameters. We find significantly higher abundances in 3D NLTE than 1D LTE by 0.8 dex for Fe, and 0.5 dex for Mg, Al and Ca, while Li and Na are unaffected to within 0.03 dex. In particular, our upper limit for [Fe/H] is now a factor ten larger, at [Fe/H] < -6.53 (3 sigma), than previous estimates based on <3D> NLTE (i.e. using averaged 3D models). This higher estimate is due to a conservative upper limit estimation, updated NLTE data, and 3D-<3D> NLTE differences, all of which lead to a higher abundance determination. We find that the revised chemical composition of SMSS0313-6708 matches supernova yields for massive progenitors of 20-60 Msol exploding with low energies (1-2 x 10^51 erg), as well as progenitors of 10 Msol with very low explosion energies (< 10^51 erg).

astro-ph.SR↗
arXiv2016

Accurate abundance analysis of late-type stars: advances in atomic physics

The measurement of stellar properties such as chemical compositions, masses and ages, through stellar spectra, is a fundamental problem in astrophysics. Progress in the understanding, calculation and measurement of atomic properties and processes relevant to the high-accuracy analysis of F-, G-, and K-type stellar spectra is reviewed, with particular emphasis on abundance analysis. This includes fundamental atomic data such as energy levels, wavelengths, and transition probabilities, as well as processes of photoionisation, collisional broadening and inelastic collisions. A recurring theme throughout the review is the interplay between theoretical atomic physics, laboratory measurements, and astrophysical modelling, all of which contribute to our understanding of atoms and atomic processes, as well as to modelling stellar spectra.

astro-ph.SR↗
arXiv2016

Excitation and charge transfer in low-energy hydrogen atom collisions with neutral atoms: Theory, comparisons, and application to Ca

A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent interactions in the neutral atom-hydrogen atom system, is presented. The calculation of potentials and non-adiabatic radial couplings using the method is demonstrated. The potentials are used together with the multi-channel Landau-Zener model to calculate cross sections and rate coefficients. The main feature of the method is that it employs asymptotically exact atomic wavefunctions, which can be determined from known atomic parameters. The method is applied to Li+H, Na+H, and Mg+H collisions, and the results compare well with existing detailed full-quantum calculations. The method is applied to the astrophysically important problem of Ca+H collisions, and rate coefficients are calculated for temperatures in the range 1000-20000 K.

physics.atom-ph↗
arXiv2016

Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest

Partition functions and dissociation equilibrium constants are presented for 291 diatomic molecules for temperatures in the range from near absolute zero to 10000 K, thus providing data for many diatomic molecules of astrophysical interest at low temperature. The calculations are based on molecular spectroscopic data from the book of Huber and Herzberg with significant improvements from the literature, especially updated data for ground states of many of the most important molecules by Irikura. Dissociation energies are collated from compilations of experimental and theoretical values. Partition functions for 284 species of atoms for all elements from H to U are also presented based on data collected at NIST. The calculated data are expected to be useful for modelling a range of low density astrophysical environments, especially star-forming regions, protoplanetary disks, the interstellar medium, and planetary and cool stellar atmospheres. The input data, which will be made available electronically, also provides a possible foundation for future improvement by the community.

astro-ph.IM↗
arXiv2016

Mg line formation in late-type stellar atmospheres: II. Calculations in a grid of 1D models

Mg is the alpha element of choice for Galactic population and chemical evolution studies as it is easily detectable in all late-type stars. Such studies require precise elemental abundances, and thus departures from LTE need to be accounted for. Our goal is to provide reliable departure coefficients and equivalent widths in non-LTE, and for reference in LTE, for diagnostic lines of Mg studied in late-type stars. These can be used e.g., to correct LTE spectra and abundances. Using the model atom built and tested in the preceding paper in this series, we performed non-LTE radiative transfer calculations in a grid of 3945 stellar 1D atmospheric models. We used a sub-grid of 86 models to explore the propagation of errors in the recent atomic collision calculations to the radiative transfer results. We obtained departure coefficients for all the levels and equivalent widths (in LTE and non-LTE) for all the radiative transitions included in the "final" model atom of Osorio et al.. We present and describe our results and show some examples of applications of the data. The errors due to uncertainties in the collisional data are investigated and tabulated. The results for equivalent widths and departure coefficients are made freely available. Giants tend to have negative abundance corrections while dwarfs have positive, though small, corrections. Error analysis results show that uncertainties related to the atomic collision data are typically of order 0.01 dex or less, although for few stellar models in specific lines uncertainties can be as large as 0.03 dex. As these errors are less than or of the same order as typical corrections, we expect that we can use these results to extract Mg abundances from high quality spectra more reliably than from classical LTE analysis.

astro-ph.SR↗
arXiv2013

Atomic diffusion and mixing in old stars IV: Weak abundance trends in the globular cluster NGC 6752

Atomic diffusion in stars can create systematic trends of surface abundances with evolutionary stage. Globular clusters offer useful laboratories to put observational constraints on this theory as one needs to compare abundances in unevolved and evolved stars, all drawn from the same stellar population. In this paper, we show the results of an abundance study of stars in the globular cluster NGC6752 which shows weak but systematic abundances trends with evolutionary phase for Fe, Sc, Ti and Ca. The trends are best explained by a stellar structure model including atomic diffusion with efficient additional mixing. The model allows to correct for sub-primordial stellar lithium abundances of the stars on the Spite plateau, and to match it to the WMAP-calibrated Big-Bang nucleosynthesis predictions to within the mutual 1-sigma errors.

astro-ph.SR↗
arXiv2009

Lithium Abundances of Extremely Metal-Poor Turn-off Stars

We have determined Li abundances for eleven metal-poor turn-off stars, among which eight have [Fe/H]<-3, based on LTE analyses of high-resolution spectra obtained with the HDS on the Subaru telescope. The Li abundances for four of these eight stars are determined for the first time by this study. Effective temperatures are determined by a profile analysis of H-alpha and H-beta. While seven stars have Li abundances as high as the Spite Plateau value, the remaining four objects with [Fe/H] <-3 have A(Li)=log(Li/H)+12 ~< 2.0, confirming the existence of extremely metal-poor turn-off stars having low Li abundances, as reported by previous work. The average of the Li abundances for stars with [Fe/H]<-3 is lower by 0.2 dex than that of the stars with higher metallicity. No clear constraint on the metallicity dependence or scatter of the Li abundances is derived from our measurements for the stars with [Fe/H]<-3. Correlations of the Li abundance with effective temperatures, with abundances of Na, Mg and Sr, and with the kinematical properties are investigated, but no clear correlation is seen in the extremely metal-poor star sample.

astro-ph.SR↗
arXiv2005

Nucleosynthetic signatures of the first stars

The chemically most primitive stars provide constraints on the nature of the first stellar objects that formed in the Universe; elements other than hydrogen, helium and traces of lithium within these objects were generated by nucleosynthesis in the very first stars. The relative abundances of elements in the surviving primitive stars reflect the masses of the first stars, because the pathways of nucleosynthesis are quite sensitive to stellar masses. Several models have been suggested to explain the origin of the abundance pattern of the giant star HE 0107-5240, which hitherto exhibited the highest deficiency of heavy elements known. Here we report the discovery of HE 1327-2326, a subgiant or main-sequence star with an iron abundance about a factor of two lower than that of HE 0107-5240. Both stars show extreme overabundances of carbon and nitrogen with respect to iron, suggesting a similar origin of the abundance patterns. The unexpectedly low Li and high Sr abundances of HE 1327-2326, however, challenge existing theoretical understanding: none predicts the high Sr abundance or provides a Li depletion mechanism consistent with data available for the most metal-poor stars.

astro-ph↗
arXiv2004

S4N: A Spectroscopic Survey of Stars in the Solar Neighborhood

[ABRIDGED] We report the results of a high-resolution spectroscopic survey of all the stars more luminous than Mv = 6.5 mag within 14.5 pc from the Sun. We derive stellar parameters and perform a preliminary abundance and kinematic analysis of the F-G-K stars in the sample. The inferred metallicity ([Fe/H]) distribution is centered at about -0.1 dex, and shows a standard deviation of 0.2 dex. We identify a number of metal-rich K-type stars which appear to be very old, confirming the claims for the existence of such stars in the solar neighborhood. With atmospheric effective temperatures and gravities derived independently of the spectra, we find that our classical LTE model-atmosphere analysis of metal-rich (and mainly K-type) stars provides discrepant abundances from neutral and ionized lines of several metals. Based on transitions of majority species, we discuss abundances of 16 chemical elements. In agreement with earlier studies we find that the abundance ratios to iron of Si, Sc, Ti, Co, and Zn become smaller as the iron abundance increases until approaching the solar values, but the trends reverse for higher iron abundances. At any given metallicity, stars with a `low' galactic rotational velocity tend to have high abundances of Mg, Si, Ca, Sc, Ti, Co, Zn, and Eu, but low abundances of Ba, Ce, and Nd. The Sun appears deficient by roughly 0.1 dex in O, Si, Ca, Sc, Ti, Y, Ce, Nd, and Eu, compared to its immediate neighbors with similar iron abundances.

astro-ph↗