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Register a new userModelling the non-local thermodynamic equilibrium spectra of silylene (SiH2)
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This paper sets out a robust methodology for modelling spectra of polyatomic molecules produced in reactive or dissociative environments, with vibrational populations outside local thermal equilibrium (LTE). The methodology is based on accurate, extensive ro-vibrational line lists containing transitions with high vibrational excitations and relies on the detailed ro-vibrational assignments. The developed methodology is applied to model non-LTE IR and visible spectra of silylene (SiH$_2$) produced in a decomposition of disilane (Si$_2$H$_6$), a reaction of technological importance. Two approaches for non-LTE vibrational populations of the product SiH$_2$ are introduced: a simplistic 1D approach based on the Harmonic approximation and a full 3D model incorporating accurate vibrational wavefunctions of SiH$_2$ computed variationally with the TROVE (Theoretical ROVibrational Energy) program. We show how their non-LTE spectral signatures can be used to trace different reaction channels of molecular dissociations.
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Context - Exoplanetary upper atmospheres are low density environments where radiative processes can compete with collisional ones and introduce non-local thermodynamic equilibrium (NLTE) effects into transmission spectra. Aims - We develop a NLTE radiative transfer framework capable of modelling exoplanetary transmission spectra over a wide range of planetary properties. Methods - We adapt the NLTE spectral synthesis code Cloudy to produce an atmospheric structure and atomic transmission spectrum in both NLTE and local thermodynamic equilibrium (LTE) for the hot Jupiter HD209458b, given a published T-P profile and assuming solar metallicity. Selected spectral features, including H$alpha$, Na I D, He I $lambda$10830, Fe I & II ultra-violet (UV) bands, and C, O and Si UV lines, are compared with literature observations and models where available. The strength of NLTE effects are measured for individual spectral lines to identify which features are most strongly affected. Results - The developed modelling framework computing NLTE synthetic spectra reproduces literature results for the He I $lambda$10830 triplet, the Na I D lines, and the forest of Fe I lines in the optical. Individual spectral lines in the NLTE spectrum exhibit up to 40 % stronger absorption relative to the LTE spectrum.
Type Ia supernovae (SNe Ia) span a range of luminosities and timescales, from rapidly evolving subluminous to slowly evolving overluminous subtypes. Previous theoretical work has, for the most part, been unable to match the entire breadth of observed SNe Ia with one progenitor scenario. Here, for the first time, we apply non-local thermodynamic equilibrium radiative transfer calculations to a range of accurate explosion models of sub-Chandrasekhar-mass white dwarf detonations. The resulting photometry and spectra are in excellent agreement with the range of observed non-peculiar SNe Ia through 15 d after the time of B-band maximum, yielding one of the first examples of a quantitative match to the entire Phillips (1993) relation. The intermediate-mass element velocities inferred from theoretical spectra at maximum light for the more massive white dwarf explosions are higher than those of bright observed SNe Ia, but these and other discrepancies likely stem from the one-dimensional nature of our explosion models and will be improved upon by future non-local thermodynamic equilibrium radiation transport calculations of multi-dimensional sub-Chandrasekhar-mass white dwarf detonations.
Optical high-resolution spectra of V652 Her and HD 144941, the two extreme helium stars with exceptionally low C/He ratios, have been subjected to a non-LTE abundance analysis using the tools TLUSTY and SYNSPEC. Defining atmospheric parameters were obtained from a grid of non-LTE atmospheres and a variety of spectroscopic indicators including He I and He II line profiles, ionization equilibrium of ion pairs such as C II/C III and N II/N III. The various indicators provide a consistent set of atmospheric parameters: $T_{rm eff}$=25000$pm$300K, $log g$ = 3.10$pm$0.12(cgs), and $xi=13pm2 {rm km,s^{-1}}$ are provided for V652 Her, and $T_{rm eff}$=22000$pm$600K, $log g$ = 3.45$pm$0.15 (cgs), and $xi=10 {rm km,s^{-1}}$ are provided for HD 144941. In contrast to the non-LTE analyses, the LTE analyses - LTE atmospheres and a LTE line analysis - with the available indicators do not provide a consistent set of atmospheric parameters. The principal non-LTE effect on the elemental abundances is on the neon abundance. It is generally considered that these extreme helium stars with their very low C/He ratio result from the merger of two helium white dwarfs. Indeed, the derived composition of V652 Her is in excellent agreement with predictions by Zhang & Jeffery (2012) who model the slow merger of helium white dwarfs; a slow merger results in the merged star having the composition of the accreted white dwarf. In the case of HD 144941 which appears to have evolved from metal-poor stars a slow merger is incompatible with the observed composition but variations of the merger rate may account for the observed composition. More detailed theoretical studies of the merger of a pair of helium white dwarfs are to be encouraged.
Several results indicate that the atmospheric temperature of the ultra-hot Jupiter KELT-9b in the main line formation region is a few thousand degrees higher than predicted by self-consistent models. We test whether non-local thermodynamic equilibrium (NLTE) effects are responsible for the presumably higher temperature. We employ the Cloudy NLTE radiative transfer code to self-consistently compute the upper atmospheric temperature-pressure (TP) profile of KELT-9b, assuming solar metallicity. The Cloudy NLTE TP profile is $approx$2000 K hotter than that obtained with previous models assuming local thermodynamic equilibrium (LTE). In particular, in the 1-10$^{-7}$ bar range the temperature increases from $approx$4000 K to $approx$8500 K, remaining roughly constant at lower pressures. We find that the high temperature in the upper atmosphere of KELT-9b is driven principally by NLTE effects modifying the Fe and Mg level populations, which strongly influence the atmospheric thermal balance. We employ Cloudy to compute LTE and NLTE synthetic transmission spectra on the basis of the TP profiles computed in LTE and NLTE, respectively, finding that the NLTE model generally produces stronger absorption lines than the LTE model (up to 30%), which is largest in the ultraviolet. We compare the NLTE synthetic transmission spectrum with the observed H$alpha$ and H$beta$ line profiles obtaining an excellent match, thus supporting our results. The NLTE synthetic transmission spectrum can be used to guide future observations aiming at detecting features in the planets transmission spectrum. Metals, such as Mg and Fe, and NLTE effects shape the upper atmospheric temperature structure of KELT-9b and thus affect the mass-loss rates derived from it. Finally, our results call for checking whether this is the case also of cooler planets.
(Abridged) Aims: We study the effects related to departures from non-local thermodynamic equilibrium (NLTE) and homogeneity in the atmospheres of red giant stars in Galactic globular cluster NGC 6752, to assess their influence on the formation of Ba II lines. Methods: One-dimensional (1D) local thermodynamic equilibrium (LTE) and 1D NLTE barium abundances were derived using classical 1D ATLAS stellar model atmospheres. The three-dimensional (3D) LTE abundances were obtained for 8 red giants on the lower RGB, by adjusting their 1D LTE abundances using 3D-1D abundance corrections, i.e., the differences between the abundances obtained from the same spectral line using the 3D hydrodynamical (CO5BOLD) and classical 1D (LHD) stellar model atmospheres. Results: The mean 1D barium-to-iron abundance ratios derived for 20 giants are <[Ba/Fe]>_{1D NLTE} = 0.05 pm0.06 (stat.) pm0.08 (sys.). The 3D-1D abundance correction obtained for 8 giants is small (~+0.05 dex), thus leads to only minor adjustment when applied to the mean 1D NLTE barium-to-iron abundance ratio for the 20 giants, <[Ba/Fe]>_{3D+NLTE} = 0.10 pm0.06(stat.) pm0.10(sys.). The intrinsic abundance spread between the individual cluster stars is small and can be explained in terms of uncertainties in the abundance determinations. Conclusions: Deviations from LTE play an important role in the formation of barium lines in the atmospheres of red giants studied here. The role of 3D hydrodynamical effects should not be dismissed either, even if the obtained 3D-1D abundance corrections are small. This result is a consequence of subtle fine-tuning of individual contributions from horizontal temperature fluctuations and differences between the average temperature profiles in the 3D and 1D model atmospheres: owing to the comparable size and opposite sign, their contributions nearly cancel each other.
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