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.

This thesis is devoted to improve our knowledge on the theory of polarized line formation in a magneto-turbulent medium, and in a scattering dominated magnetized medium, where partial redistribution (PRD) effects become important. Thus the thesis consists of two parts. In the first part we carry out a detailed investigation on the effect of random magnetic fields on Zeeman line radiative transfer. In the second part we develop the theory of polarized line formation in the presence of arbitrary magnetic fields and with PRD. We present numerical methods of solution of the relevant transfer equation in both part-I and II. In Chapter I we give a general introduction, that describes the basic physical concepts required in both parts of the thesis. Chapters 2-6 deal with the part-I, namely stochastic polarized Zeeman line formation. Chapters 7-10 deal with part –II, namely the theory and numerics of polarized line formation in scattering media. Chapter II is devoted to the future outlook on the problems described in part-I and II of the thesis. Appendices are devoted to additional mathematical details. Part-I of the Thesis: Stochastic polarized line formation in magneto-turbulent media Magneto-convection on the Sun has a size spectrum that spans several orders of magnitudes and hence develops turbulent elements or eddies the sizes of which are much smaller than the spatial resolution of current spectro-polarimeters (about 0.2 arcsec or 150km at the photospheric level). We were thus strongly motivated to consider the Zeeman effect in a medium where the magnetic field is random with characteristic scales of variation comparable to the radiative transfer characteristic scales. In Chapter 2, we consider the micro-turbulent limit and study the mean zeeman absorption matrix in detail. The micro-turbulent limit refers to the case when the scales of fluctuations of the random field are much smaller than the photon mean free paths associated to the line formation. The ‘mean’ absorption and anomalous dispersion coefficients are calculated for random fields with a non-Zero mean value - isotropic or anisotropic Gaussian distributions that are azimuthally invariant about the direction of the mean field. The averaging method is described in detail, and fairly explicit expressions for the mean coefficients are established. A detailed numerical investigation of the mean coefficients illustrates two simple effects of the magnetic field fluctuations: (i) broadening of the components by fluctuations of the field strength, leaving the π-components unchanged, and (ii) averaging over the angular dependence of the π and components. Angular averaging can modify the frequency profiles of the mean coefficients quite drastically, namely, the appearance of an unpolarized central component in the diagonal absorption coefficient, even when the mean field is in the direction of the line-of-sight. For isotropic fluctuations, the mean coefficients can be expressed in terms of generalized Voigt and Faraday-Voigt functions, which are related to the derivatives of the Voigt and Faraday-Voigt functions. In chapter 3, we study these functions in detail. Simple recurrence relations are established and used for the calculation of the functions themselves and of their partial derivatives. Asymptotic expansions are also derived. In Chapter 4, we consider the Zeeman effect from a magnetic field which has a finite correlation length(meso-turbulence) that can be varied from zero to infinity and thus made comparable to the photon mean free-path. The random vector magnetic field B is modeled by a Kubo-Anderson process – a piecewise constant Markov process characterized by a correlation length and a probability distribution function(PDF) for the random values of the magnetic field. The micro- and macro-turbulent limits are recovered when the correlation length goes to zero or infinity respectively. Mean values and rms fluctuations around the mean values are calculated numerically for a random magnetic field with isotropic Gaussian fluctuations. The effects of a finite correlation length are discussed in detail. The rms fluctuations of the Stokes parameters are shown to be very sensitive to the correlation length of the magnetic field. It is suggested to use them as a diagnostic tools to determine the scale of unresolved features in the solar atmosphere. In Chapter 5, using statistical approach, we analyze the effects of random magnetic fields on Stokes line profiles. We consider the micro and macro-turbulent regimes, which provide bounds for more general random fields with finite scales of variations. The mean Stokes parameters are obtained in the micro-turbulent regime, by first averaging the Zeeman absorption matrix Φ over the PDF P(B) of the magnetic field and then solving the concerned radiative transfer equation. In the macro-turbulent regime, the mean solution is obtained by averaging the emergent solution over P(B). In this chapter, we consider the same Gaussian PDFs that are used to construct (Φ) in chapter 2. Numerical simulations of magneto-convection and analysis of solar magnetograms provide the empirical PDF for the magnetic field line-of-sight component on the solar atmosphere. In Chapter 6, we explore the effects of different kinds of PDFs on Zeeman line formation. We again consider the limits of micro and macro-turbulence. The types of PDFs considered are: (a) Voigt function and stretched exponential type PDFs for fields with fixed direction but fluctuating strength. (b) Cylindrically symmetrical power law for the angular distribution of magnetic fields with given field strength. (c) Composite PDFs accounting for randomness in both strength and direction obtained by combining a Voigt function or a stretched exponential with an angular power law. The composite PDF proposed has an angular distribution peaked about the vertical direction for strong fields and is nearly isotropically distributed for weak fields, which could mimic solar surface random fields. We also describe how the averaging technique for a normal Zeeman triplet may be generalized to the more common case of anomalous Zeeman splitting patterns. Part-II of the Thesis: Polarized line formation in scattering media-Theory and numerical methods Many of the strongest and most conspicuous lines in the Second Solar Spectrum are strong lines that are formed rather high, often in the chromosphere above the temperature minimum. From the standard, unpolarized and non-magnetic line-formation theory such lines are known to be formed under the conditions that are very far from local thermodynamic equilibrium. They are characterized by broad damping wings surrounding the line core. Doppler shifts in combination with collisions cause photons that are absorbed at a given frequency to be redistributed in frequency across the line profile in a complex way during the scattering process. Two idealized, limiting cases to describe this redistribution are “frequency coherence” and “complete redistribution” (CRD), but the general theory that properly combines these two limiting cases goes under the name “partial frequency redistribution” (PRD). Resonance lines which are usually strong can be properly modeled only when PRD is taken into account. To use these strong lines for magnetic field diagnostics we need a line scattering theory of PRD in the presence of magnetic fields of arbitrary strength. In the second part of the thesis we develop such a theory and derive the polarized PRD matrices. These matrices are then used in the polarized line transfer equation to compute the emergent Stokes parameters. Polarized scattering in spectral lines is governed by a 4 x 4 matrix that describes how the Stokes vector is scattered in all directions and redistributed in frequency within the line. In Chapter 7, using a classical approach we develop the theory for this redistribution matrix in the presence of magnetic fields of arbitrary strength and direction, and for a J = 0 → 1 → 0 transition. This case of arbitrary magnetic fields is called the Hanle-Zeeman regime, since it covers both the partially overlapping weak and strong-field regimes, in which the Hanle and Zeeman effects respectively dominate the scattering polarization. In this general regime the angle-frequency correlations that describe the so-called PRD are intimately coupled to the polarization properties. We also show how the classical theory can be extended to treat atomic and molecular scattering transitions for any combinations of J quantum numbers. In chapter 8 , we show explicitly that for a J = 0 → 1 → 0 scattering transition there exists an equivalence between the Hanle-Zeeman redistribution matrix that is derived through quantum electrodynamics(Bommier 1997b) and the one derived in Chapter 7 starting from the classical, time-dependent oscillator theory of Bommier & Stenflo (1999). This equivalence holds for all strengths and directions of the magnetic field. Several aspects of the Hanle-Zeeman redistribution matrix are illustrated, and explicit algebraic expressions are given, which are of practical use for the polarized line transfer computations. In chapter 9, we solve the polarized radiative transfer equation numerically, taking into account both the Zeeman absorption matrix and the Hanle-Zeeman redistribution matrix. We compute the line profiles for arbitrary field strengths, and scattering dominated line transitions. We use a perturbation method (see eg. Nagendra et al. 2002) to solve the Hanle-Zeeman line transfer problem. The limiting cases of weak field Hanle scattering and strong field Zeeman true absorption are retrieved. The ilntermediate regime, where both Zeeman absorption and scattering effects are important, is studied in some detail. Numerical method used to solve the Hanle-Zeeman line transfer problem in Chapter 9 is computationally expensive. Hence it is necessary to develop fast iterative methods like PALI (Polarized Approximate Lambda Iteration). As a first step in this direction we develop such a method in Chapter 10 to solve the transfer problem with weak field Hanle scattering. We use a ‘redistribution matrix’ with coupling between frequency redistribution and polarization and no domain decomposition. Such a matrix is constructed by angle-averaging the frequency dependent terms in the exact weak field Hanle redistribution matrix for a two-level atom with unpolarized ground level (that can be obtained by taking the weak field limit of the Hanle-Zeeman redistribution matrix). In the past, the PALI technique has been applied to redistribution matrices in which frequency redistribution is ‘decoupled’ from scattering polarization, the decoupling being achieved by an adequate decomposition of the frequency space into several domains. In this chapter, we examine the consequences of frequency space decomposition, and the resulting decoupling between the frequency redistribution and polarization, on the solution of the polarized transfer equation for the Stokes parameters.

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

This thesis demonstrates the necessity of inventarisation of word-formation components in the bi-lingual dictionaries, taking adjective affixoids as an example. Describing the hands-on approach to addition of these word-formation components into the upcoming Large German-Czech Academic Dictionary, it points to the issues arising in connection with the inventarisation itself.