MPS-ATLAS: A fast all-in-one code for synthesising stellar spectra

Context. Stellar spectral synthesis is essential for various applications, ranging from determining stellar parameters to comprehensive stellar variability calculations. New observational resources as well as advanced stellar atmosphere modelling, taking three dimensional effects from radiative magnetohydrodynamics calculations into account, require a more efficient radiative transfer. Aims. For accurate, fast and flexible calculations of opacity distribution functions (ODFs), stellar atmospheres, and stellar spectra, we developed an efficient code building on the well-established ATLAS9 code. The new code also paves the way for easy and fast access to different elemental compositions in stellar calculations. Methods. For the generation of ODF tables, we further developed the well-established DFSYNTHE code by implementing additional functionality and a speed-up by employing a parallel computation scheme. In addition, the line lists used can be changed from Kurucz’s recent lists. In particular, we implemented the VALD3 line list. Results. A new code, the Merged Parallelised Simplified ATLAS, is presented. It combines the efficient generation of ODF, atmosphere modelling, and spectral synthesis in local thermodynamic equilibrium, therefore being an all-in-one code. This all-in-one code provides more numerical functionality and is substantially faster compared to other available codes. The fully portable MPS-ATLAS code is validated against previous ATLAS9 calculations, the PHOENIX code calculations, and high-quality observations

Radiative Transfer with Opacity Distribution Functions: Application to Narrowband Filters

Modeling of stellar radiative intensities in various spectral passbands plays an important role in stellar physics. At the same time, direct calculation of the high-resolution spectrum and then integration of it over the given spectral passband is computationally demanding due to the vast number of atomic and molecular lines. This is particularly so when employing three-dimensional (3D) models of stellar atmospheres. To accelerate the calculations, one can employ approximate methods, e.g., the use of opacity distribution functions (ODFs). Generally, ODFs provide a good approximation of traditional spectral synthesis, i.e., computation of intensities through filters with strictly rectangular transmission functions. However, their performance strongly deteriorates when the filter transmission noticeably changes within its passband, which is the case for almost all filters routinely used in stellar physics. In this context, the aims of this paper are (a) to generalize the ODFs method for calculating intensities through filters with arbitrary transmission functions, and (b) to study the performance of the standard and generalized ODFs methods for calculating intensities emergent from 3D models of stellar atmospheres. For this purpose we use the newly developed MPS-ATLAS radiative transfer code to compute intensities emergent from 3D cubes simulated with the radiative magnetohydrodynamics code MURaM. The calculations are performed in the 1.5D regime, i.e., along many parallel rays passing through the simulated cube. We demonstrate that the generalized ODFs method allows accurate and fast syntheses of spectral intensities and their center-to-limb variations

Processing Follows Function: Pushing the Formation of Self-Assembled Monolayers to High-Throughput Compatible Time Scales

Self-assembled monolayers (SAMs) of organic molecules can be used to tune interface energetics and thereby improve charge carrier injection at metal–semiconductor contacts. We investigate the compatibility of SAM formation with high-throughput processing techniques. Therefore, we examine the quality of SAMs, in terms of work function shift and chemical composition as measured with photoelectron and infrared spectroscopy and in dependency on molecular exposure during SAM formation. The functionality of the SAMs is determined by the performance increase of organic field-effect transistors upon SAM treatment of the source/drain contacts. This combined analytical and device-based approach enables us to minimize the necessary formation times via an optimization of the deposition conditions. Our findings demonstrate that SAMs composed of partially fluorinated alkanethiols can be prepared in ambient atmosphere from ethanol solution using immersion times as short as 5 s and still exhibit almost full charge injection functionality if process parameters are chosen carefully. This renders solution-processed SAMs compatible with high-throughput solution-based deposition techniques