Chemical abundances as measured from stellar spectral lines are often subject to uncertainties due to lack of accurate data for inelastic collisions, which is needed for non-local thermodynamic equilibrium (non-LTE) modelling. For cool stars, understanding of collision processes with electrons and hydrogen atoms is required to achieve high precision measurements. In this thesis, I have investigated the role of these collisions on the non-LTE formation of Li and Mg spectral lines in late-type stars. In the case of Li, electron impact excitation processes were calculated using the R-matrix with pseudo states method and the results found to agree well with recent calculations using the convergent close-coupling technique. These modern data were employed in non-LTE calculations by updating an existing model atom, which already included modern data for hydrogen collision processes. Our results were compared with calculations using older semi-empirical approximation calculations and only small differences were found: about 0.01 dex (~ 2%) or less in the abundance corrections. We therefore conclude that the influence of uncertainties in the electron collision data on non-LTE calculations is negligible. Indeed, together with the collision data for the charge transfer process Li + H ↔ Li+ + H- now available, and barring the existence of an unknown important collisional process, the collisional data in general is not a source of significant uncertainty in non-LTE Li line formation calculations. In the case of Mg, electron impact excitation processes were again calculated with the Rmatrix with pseudo states method, and used together with recent hydrogen collision calculations to build and test a model atom, without free parameters, for non-LTE modelling. Both electron and hydrogen collision processes, including charge transfer and excitation, are found to be important thermalising agents in various cases. The modelled spectra agree well with observed spectra from benchmark stars in the optical and infrared. The modelling predicts non-LTE abundance corrections ∆A(Mg)NLTE–LTE in dwarfs, both solar metallicity and metal-poor, to be very small (of order 0.01 dex), even smaller than found in previous studies. In giants, corrections vary greatly between lines, but can be as large as 0.4 dex. Results of calculations in a large grid of 1D model atmospheres are presented, and the implications for studies of Mg discussed. The propagation of uncertainties in the inelastic collision data to those in stellar abundances is investigated, and found to lead to small uncertainties, once again typically less than 0.01 dex (2%), although for few stellar models in specific lines (e.g., metal-poor suns, in the 7691 Å line) uncertainties can be as large as 0.03 dex (7%).

<p>Stellar atmospheres constitute excellent environments to study the chemical evolution of our Galaxy. The chemical composition of these atmospheres reflects the composition of the gas from where these stars were born. As the Galaxy evolves, the composition of the gas changes from being primordial (Big-Bang nucleosynthesis) to being enriched in heavy elements (stellar and interstellar nucleosynthesis). The abundances of fragile chemical elements can be affected by stellar mixing processes. Precise lithium, beryllium and oxygen abundance determinations in old stars are presented in this thesis. These determinations are based on the analysis of the observed spectra of a sample of thirteen metal-poor subgiant stars. According to stellar mixing theories, these stars are in a stellar evolutionary stage in which mixing by convection is expected. Abundances of fragile elements like lithium and beryllium are thus expected to be affected by such mixing processes. As a consequence of this, the abundances of these elements are discussed in a dilution context. Lithium and beryllium abundances are compared with the abundances of stars with similar characteristics but in a less evolved stellar phase so that mixing processes have not acted yet. As expected, our abundances seem to be depleted following reasonably well the standard predictions. Stellar abundances of oxygen should give an estimate of the oxygen contribution of core-collapse supernovae to the interstellar medium. However, there is poor agreement among the abundances determined from different atomic or molecular indicators in general. Abundances coming from three different indicators are compared in this thesis. The abundances determined from the O I infrared triplet lines at 777.1-5 nm give the poorest agreement among the three indicators. The abundances based on OH ultraviolet lines around 310 nm are lower for the subgiants in comparison with previous studies of main-sequence stars, becoming even lower than values based on the O I forbidden line at 630.03 nm. Still the most reliable indicator appears to be the O I forbidden line which suggests a plateau-like or only slowly increasing [O/Fe] towards lower [Fe/H]. In addition, the line formation of the Be II ultraviolet resonance lines at 313.0-1 nm, commonly used for abundance determinations purposes, is investigated under non-local thermodynamic equilibrium. We find that the common assumption of local thermodynamic equilibrium typically gives systematic errors of about 0.1 dex.</p>

<p>The information about the chemical compositions of stars is encoded in their spectra. Accurate determinations of these compositions are crucial for our understanding of stellar nucleosynthesis and Galactic chemical evolution. The determination of elemental abundances in stars requires models for the stellar atmospheres and the processes of line formation. Nearly all spectroscopic analyses of late-type stars carried out today are based on one-dimensional (1D), hydrostatic model atmospheres and on the assumption of local thermodynamic equilibrium (LTE). This approach can lead to large systematic errors in the predicted stellar atmospheric structures and line-strengths, and, hence, in the derived stellar abundances. In this thesis, examples of departures from LTE and from hydrostatic equilibrium are explored. The effects of background line opacities (line-blocking) due to atomic lines on the statistical equilibrium of Fe are investigated in late-type stars. Accounting for this line opacity is important at solar metallicity, where line-blocking significantly reduces the rates of radiatively induced ionizations of Fe. On the contrary, the effects of line-blocking in metal-poor stars are insignificant. In metal-poor stars, the dominant uncertainty in the statistical equilibrium of Fe is the treatment of inelastic H+Fe collisions. Substantial departures of Fe abundances from LTE are found at low metallicities: about 0.3 dex with efficient H+Fe collisions and about 0.5 dex without. The impact of three-dimensional (3D) hydrodynamical model atmospheres on line formation in red giant stars is also investigated. Inhomogeneities and correlated velocity fields in 3D models and differences between the mean 3D stratifications and corresponding 1D model atmospheres can significantly affect the predicted line strengths and derived abundances, in particular at very low metallicities. In LTE, the differences between 3D and 1D abundances of C, N, and O derived from CH, NH, and OH weak low-excitation lines are in the range -0.5 dex to -1.0 dex at [Fe/H]=-3. Large negative corrections (about -0.8 dex) are also found in LTE for weak low-excitation neutral Fe lines. We also investigate the impact of 3D hydrodynamical model stellar atmospheres on the determination of elemental abundances in the carbon-rich, hyper iron-poor stars HE 0107-5240 and HE 1327-2326. The lower temperatures of the line-forming regions of the 3D models compared with 1D models cause changes in the predicted spectral line strengths. In particular we find the 3D abundances of C, N, and O to be lower by about -0.8 dex (or more) than estimated from a 1D analysis. The 3D abundance of Fe is decreased but only by -0.2 dex. Departures from LTE for Fe might actually be very large for these stars and dominate over the effects due to granulation.</p>

Stellar atmospheres constitute excellent environments to study the chemical evolution of our Galaxy. The chemical composition of these atmospheres reflects the composition of the gas from where these stars were born. As the Galaxy evolves, the composition of the gas changes from being primordial (Big-Bang nucleosynthesis) to being enriched in heavy elements (stellar and interstellar nucleosynthesis). The abundances of fragile chemical elements can be affected by stellar mixing processes. Precise lithium, beryllium and oxygen abundance determinations in old stars are presented in this thesis. These determinations are based on the analysis of the observed spectra of a sample of thirteen metal-poor subgiant stars. According to stellar mixing theories, these stars are in a stellar evolutionary stage in which mixing by convection is expected. Abundances of fragile elements like lithium and beryllium are thus expected to be affected by such mixing processes. As a consequence of this, the abundances of these elements are discussed in a dilution context. Lithium and beryllium abundances are compared with the abundances of stars with similar characteristics but in a less evolved stellar phase so that mixing processes have not acted yet. As expected, our abundances seem to be depleted following reasonably well the standard predictions. Stellar abundances of oxygen should give an estimate of the oxygen contribution of core-collapse supernovae to the interstellar medium. However, there is poor agreement among the abundances determined from different atomic or molecular indicators in general. Abundances coming from three different indicators are compared in this thesis. The abundances determined from the O I infrared triplet lines at 777.1-5 nm give the poorest agreement among the three indicators. The abundances based on OH ultraviolet lines around 310 nm are lower for the subgiants in comparison with previous studies of main-sequence stars, becoming even lower than values based on the O I forbidden line at 630.03 nm. Still the most reliable indicator appears to be the O I forbidden line which suggests a plateau-like or only slowly increasing [O/Fe] towards lower [Fe/H]. In addition, the line formation of the Be II ultraviolet resonance lines at 313.0-1 nm, commonly used for abundance determinations purposes, is investigated under non-local thermodynamic equilibrium. We find that the common assumption of local thermodynamic equilibrium typically gives systematic errors of about 0.1 dex.

The information about the chemical compositions of stars is encoded in their spectra. Accurate determinations of these compositions are crucial for our understanding of stellar nucleosynthesis and Galactic chemical evolution. The determination of elemental abundances in stars requires models for the stellar atmospheres and the processes of line formation. Nearly all spectroscopic analyses of late-type stars carried out today are based on one-dimensional (1D), hydrostatic model atmospheres and on the assumption of local thermodynamic equilibrium (LTE). This approach can lead to large systematic errors in the predicted stellar atmospheric structures and line-strengths, and, hence, in the derived stellar abundances. In this thesis, examples of departures from LTE and from hydrostatic equilibrium are explored. The effects of background line opacities (line-blocking) due to atomic lines on the statistical equilibrium of Fe are investigated in late-type stars. Accounting for this line opacity is important at solar metallicity, where line-blocking significantly reduces the rates of radiatively induced ionizations of Fe. On the contrary, the effects of line-blocking in metal-poor stars are insignificant. In metal-poor stars, the dominant uncertainty in the statistical equilibrium of Fe is the treatment of inelastic H+Fe collisions. Substantial departures of Fe abundances from LTE are found at low metallicities: about 0.3 dex with efficient H+Fe collisions and about 0.5 dex without. The impact of three-dimensional (3D) hydrodynamical model atmospheres on line formation in red giant stars is also investigated. Inhomogeneities and correlated velocity fields in 3D models and differences between the mean 3D stratifications and corresponding 1D model atmospheres can significantly affect the predicted line strengths and derived abundances, in particular at very low metallicities. In LTE, the differences between 3D and 1D abundances of C, N, and O derived from CH, NH, and OH weak low-excitation lines are in the range -0.5 dex to -1.0 dex at [Fe/H]=-3. Large negative corrections (about -0.8 dex) are also found in LTE for weak low-excitation neutral Fe lines. We also investigate the impact of 3D hydrodynamical model stellar atmospheres on the determination of elemental abundances in the carbon-rich, hyper iron-poor stars HE 0107-5240 and HE 1327-2326. The lower temperatures of the line-forming regions of the 3D models compared with 1D models cause changes in the predicted spectral line strengths. In particular we find the 3D abundances of C, N, and O to be lower by about -0.8 dex (or more) than estimated from a 1D analysis. The 3D abundance of Fe is decreased but only by -0.2 dex. Departures from LTE for Fe might actually be very large for these stars and dominate over the effects due to granulation.

High-resolution molecular spectroscopy has been used to study acetylene line parameters and emission spectra of hydrogen cyanide. All acetylene spectra were recorded in our laboratory at the University of Lethbridge using a 3-channel tuneable diode laser spectrometer. N2-broadened line widths and N2-pressure induced line shifts have been measured for transitions in the v1+v3 band of acetylene at seven temperatures in the range 213–333K to obtain the temperature dependences of broadening and shift coefficients. The Voigt and hard-collision line profile models were used to retrieve the line parameters. The line-broadening and line-shift coefficients as well as their temperature-dependent parameters have been also evaluated theoretically, in the frame work of a semi-classical approach based on an exponential representation of the scattering operator, an intermolecular potential composed of electrostatic quadrupole–quadrupole and pairwise atom–atom interactions as well as on exact trajectories driven by an effective isotropic potential. The experimental results for both N2-broadening and shifting show good agreement with the theoretical results. We have studied the line intensities of the 1νl20←0νl20 band system from the HCN emission spectrum. The infrared emission spectrum of H12C14N was measured at the Justus-Liebig University, Giessen, Germany. The emission spectrum was analyzed with the spectrum analysis software Symath running using Mathematica as a platform. This approach allowed us to retrieve information on band intensity parameters. / viii, 112 leaves : ill. ; 29 cm