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.Comment: 13 pages, 8 figures, 8 tables. Full tables 1, 2, 4, 5, 6, 7 and 8 to be made available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A

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.Comment: 15 pages, 4 figures and 8 table

Chemical abundances from inversions of stellar spectra: Analysis of solar-type stars with homogeneous and static model atmospheres

Spectra of late-type stars are usually analyzed with static model atmospheres in local thermodynamic equilibrium (LTE) and a homogeneous plane-parallel or spherically symmetric geometry. The energy balance requires particular attention, as two elements that are particularly difficult to model play an important role : line blanketing and convection. Inversion techniques are able to bypass the difficulties of a detailed description of the energy balance. Assuming that the atmosphere is in hydrostatic equilibrium and LTE, it is possible to constrain its structure from spectroscopic observations. Among the most serious approximations still implicit in the method is a static and homogeneous geometry. In this paper, we take advantage of a realistic three-dimensional radiative hydrodynamical simulation of the solar surface to check the systematic errors incurred by an inversion assuming a plane-parallel horizontally-homogeneous atmosphere. The thermal structure recovered resembles the spatial and time average of the three-dimensional atmosphere. Furthermore, the abundances retrieved are typically within 10% (0.04 dex) of the abundances used to construct the simulation. The application to a fairly complete data set from the solar spectrum provides further confidence in previous analyses of the solar composition. There is only a narrow range of one-dimensional thermal structures able to fit the absorption lines in the spectrum of the Sun. With our carefully selected data set, random errors are about a factor of 2 smaller than systematic errors. A small number of strong metal lines can provide very reliable results. We foresee no major difficulties in applying the technique to other similar stars, and obtaining similar accuracies, using spectra with λ/δλ ~ 5 x 10(4) and a signal-to-noise ratio as low as 30

Pinning Down Gravitational Settling

We analyse high-resolution archival UVES data of turnoff and subgiant stars in the nearby globular cluster NGC 6397 ([Fe/H] = -2). Balmer-profile analyses are performed to derive reddening-free effective temperatures. Due to the limited S/N and uncertainties related to blaze removal, we find the data quality insufficient to exclude the existence of gravitational settling. If the newly derived effective temperatures are taken as a basis for an abundance analysis, the photospheric iron (Fe II) abundance in the turnoff stars is 0.11 dex lower than in the (well-mixed) subgiants.Comment: 4 pages, 3 figures. Summary of a talk given at the ESO-Arcetri workshop in September of 2004. See also astro-ph/060820

Non-LTE line formation of Fe in late-type stars - III. 3D non-LTE analysis of metal-poor stars

As one of the most important elements in astronomy, iron abundance determinations need to be as accurate as possible. We investigate the accuracy of spectroscopic iron abundance analyses using archetypal metal-poor stars. We perform detailed 3D non-LTE radiative transfer calculations based on 3D hydrodynamic STAGGER model atmospheres, and employ a new model atom that includes new quantum-mechanical neutral hydrogen collisional rate coefficients. With the exception of the red giant HD122563, we find that the 3D non-LTE models achieve Fe I/Fe II excitation and ionization balance as well as not having any trends with equivalent width to within modelling uncertainties of 0.05 dex, all without having to invoke any microturbulent broadening; for HD122563 we predict that the current best parallax-based surface gravity is overestimated by 0.5 dex. Using a 3D non-LTE analysis, we infer iron abundances from the 3D model atmospheres that are roughly 0.1 dex higher than corresponding abundances from 1D MARCS model atmospheres; these differences go in the same direction as the non-LTE effects themselves. We make available grids of departure coefficients, equivalent widths and abundance corrections, calculated on 1D MARCS model atmospheres and horizontally and temporally averaged 3D STAGGER model atmospheres