The impact of spectral line wing cut-off : recommended standard method with application to MAESTRO opacity data base

KLC acknowledges funding from STFC under project number ST/V000861/1.When computing cross-sections from a line list, the result depends not only on the line strength, but also the line shape, pressure-broadening parameters, and line wing cut-off (i.e. the maximum distance calculated from each line centre). Pressure-broadening can be described using the Lorentz line shape, but it is known to not represent the true absorption in the far wings. Both theory and experiment have shown that far from the line centre, non-Lorentzian behaviour controls the shape of the wings and the Lorentz line shape fails to accurately characterize the absorption, leading to an underestimation or overestimation of the opacity continuum depending on the molecular species involved. The line wing cut-off is an often overlooked parameter when calculating absorption cross-sections, but can have a significant effect on the appearance of the spectrum since it dictates the extent of the line wing that contributes to the calculation either side of every line centre. Therefore, when used to analyse exoplanet and brown dwarf spectra, an inaccurate choice for the line wing cut-off can result in errors in the opacity continuum, which propagate into the modelled transit spectra, and ultimately impact/bias the interpretation of observational spectra, and the derived composition and thermal structure. Here, we examine the different methods commonly utilized to calculate the wing cut-off and propose a standard practice procedure (i.e. absolute value of 25 cm−1 for P ≤ 200 bar and 100 cm−1 for P > 200 bar) to generate molecular opacities which will be used by the open-access MAESTRO (Molecules and Atoms in Exoplanet Science: Tools and Resources for Opacities) data base. The pressing need for new measurements and theoretical studies of the far-wings is highlighted.Publisher PDFPeer reviewe

The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres

We are now on a clear trajectory for improvements in exoplanet observations that will revolutionize our ability to characterize their atmospheric structure, composition, and circulation, from gas giants to rocky planets. However, exoplanet atmospheric models capable of interpreting the upcoming observations are often limited by insufficiencies in the laboratory and theoretical data that serve as critical inputs to atmospheric physical and chemical tools. Here we provide an up-to-date and condensed description of areas where laboratory and/or ab initio investigations could fill critical gaps in our ability to model exoplanet atmospheric opacities, clouds, and chemistry, building off a larger 2016 white paper, and endorsed by the NAS Exoplanet Science Strategy report. Now is the ideal time for progress in these areas, but this progress requires better access to, understanding of, and training in the production of spectroscopic data as well as a better insight into chemical reaction kinetics both thermal and radiation-induced at a broad range of temperatures. Given that most published efforts have emphasized relatively Earth-like conditions, we can expect significant and enlightening discoveries as emphasis moves to the exotic atmospheres of exoplanets.Comment: Submitted as an Astro2020 Science White Pape

The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres

Laboratory astrophysics and astrochemistr

H2-induced pressure broadening and pressure shift in the P-branch of the ν3 band of CH4 from 300 to 655 K

For accurate modelling of observations of exoplanet atmospheres, quantification of the pressure broadening of infrared absorption lines for and by a variety of gases at elevated temperatures is needed. High-resolution high-temperature H -pressure-broadened spectra are recorded for the CH ν -band P-branch. Measured linewidths for 143 transitions between 2840 and 3000 cm with temperature and pressures ranging between 300 and 655 K, and 10 and 933 Torr, respectively, were used to find rotation- and tetrahedral-symmetry-dependent coefficients for pressure and temperature broadening and pressure-induced lineshifts. The new pressure-broadening data will be useful in radiative-transfer models for retrieving the properties of observed expolanet atmospheres. 2 4 3 −

Following the Lithium: Tracing li-bearing molecules across age, mass, and gravity in brown dwarfs

Lithium is an important element for the understanding of ultracool dwarfs because it is lost to fusion at masses above ~68MJ. Hence, the presence of atomic Li has served as an indicator of the nearby H-burning boundary at about 75MJ between brown dwarfs and very low mass stars. Historically, the "lithium test,"a search for the presence of the Li line at 670.8 nm, has been a marker if an object has a substellar mass. While the Li test could, in principle, be used to distinguish masses of later-type L-T dwarfs, Li is predominantly no longer found as an atomic gas but rather a molecular species such as LiH, LiF, LiOH, and LiCl in cooler atmospheres. The L- and T-type dwarfs are quite faint at 670 nm and thus challenging targets for high-resolution spectroscopy. But only recently have experimental molecular line lists become available for the molecular Li species, allowing molecular Li mass discrimination. Here we generated the latest opacity of these Li-bearing molecules and performed a thermochemical equilibrium atmospheric composition calculation of their abundances. Finally, we computed thermal emission spectra for a series of radiative-convective equilibrium models of cloudy and cloudless brown dwarf atmospheres (with Teff = 500-2400 K and log g = 4.0-5.0) to understand where the presence of atmospheric lithium-bearing species is most easily detected as a function of brown dwarf mass and age. After atomic Li, the best spectral signatures were found to be LiF at 10.5-12.5 μm and LiCl at 14.5-18.5 μm. Also, LiH shows a narrow feature at ~9.38 μm. © 2021. The American Astronomical Society. All rights reserved.Immediate accessThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at [email protected]

Probing the Extent of Vertical Mixing in Brown Dwarf Atmospheres with Disequilibrium Chemistry

Evidence of disequilibrium chemistry due to vertical mixing in the atmospheres of many T- and Y-dwarfs has been inferred due to enhanced mixing ratios of CO and reduced NH3. Atmospheric models of planets and brown dwarfs typically parameterize this vertical mixing phenomenon with the vertical eddy diffusion coefficient, K zz. While K zz can perhaps be approximated in the convective regions in the atmosphere with mixing length theory, in radiative regions, the strength of vertical mixing is uncertain by many orders of magnitude. With a new grid of self-consistent 1D model atmospheres from T eff of 400-1000 K, computed with a new radiative-convective equilibrium python code PICASO 3.0, we aim to assess how molecular abundances and corresponding spectra can be used as a probe of depth-dependent K zz. At a given surface gravity, we find nonmonotonic behavior in the CO abundance as a function of T eff, as chemical abundances are sometimes quenched in either of two potential atmospheric convective zones, or quenched in either of two possible radiative zones. The temperature structure and chemical quenching behavior also change with gravity. We compare our models with available near-infrared and M-band spectroscopy of several T- and Y-dwarfs and assess their atmospheric vertical mixing profiles. We also compare to color-magnitude diagrams and make predictions for James Webb Space Telescope spectra. This work yields new constraints, and points the way to significant future gains, in determining K zz, a fundamental atmospheric parameter in substellar atmospheres, with significant implications for chemistry and cloud modeling. © 2022. The Author(s). Published by the American Astronomical Society.Open access journalThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at [email protected]

The Sonora Substellar Atmosphere Models. IV. Elf Owl: Atmospheric Mixing and Chemical Disequilibrium with Varying Metallicity and C/O Ratios

Disequilibrium chemistry due to vertical mixing in the atmospheres of many brown dwarfs and giant exoplanets is well established. Atmosphere models for these objects typically parameterize mixing with the highly uncertain K _zz diffusion parameter. The role of mixing in altering the abundances of C-N-O-bearing molecules has mostly been explored for atmospheres with a solar composition. However, atmospheric metallicity and the C/O ratio also impact atmospheric chemistry. Therefore, we present the Sonora Elf Owl grid of self-consistent cloud-free 1D radiative-convective equilibrium model atmospheres for JWST observations, which includes a variation in K _zz across several orders of magnitude and also encompasses subsolar to supersolar metallicities and C/O ratios. We find that the impact of K _zz on the T ( P ) profile and spectra is a strong function of both T _eff and metallicity. For metal-poor objects, K _zz has large impacts on the atmosphere at significantly higher T _eff than in metal-rich atmospheres, where the impact of K _zz is seen to occur at lower T _eff . We identify significant spectral degeneracies between varying K _zz and metallicity in multiple wavelength windows, in particular, at 3–5 μ m. We use the Sonora Elf Owl atmospheric grid to fit the observed spectra of a sample of nine early to late T-type objects from T _eff = 550–1150 K. We find evidence for very inefficient vertical mixing in these objects, with inferred K _zz values lying in the range between ∼10 ^1 and 10 ^4 cm ^2 s ^−1 . Using self-consistent models, we find that this slow vertical mixing is due to the observations, which probe mixing in the deep detached radiative zone in these atmospheres

A unique hot Jupiter spectral sequence with evidence for compositional diversity

The emergent spectra of close-in, giant exoplanets ("hot Jupiters") are expected to be distinct from those of self-luminous objects with similar effective temperatures because hot Jupiters are primarily heated from above by their host stars rather than internally from the release of energy from their formation. Theoretical models predict a continuum of dayside spectra for hot Jupiters as a function of irradiation level, with the coolest planets having absorption features in their spectra, intermediate-temperature planets having emission features due to thermal inversions, and the hottest planets having blackbody-like spectra due to molecular dissociation and continuum opacity from the H- ion. Absorption and emission features have been detected in the spectra of a number of individual hot Jupiters, and population-level trends have been observed in photometric measurements. However, there has been no unified, population-level study of the thermal emission spectra of hot Jupiters such as has been done for cooler brown dwarfs and transmission spectra of hot Jupiters. Here we show that hot Jupiter secondary eclipse spectra centered around a water absorption band at 1.4 microns follow a common trend in water feature strength with temperature. The observed trend is broadly consistent with model predictions for how the thermal structures of solar-composition planets vary with irradiation level. Nevertheless, the ensemble of planets exhibits some degree of scatter around the mean trend for solar composition planets. The spread can be accounted for if the planets have modest variations in metallicity and/or elemental abundance ratios, which is expected from planet formation models. (abridged abstract)Comment: 24 pages, 8 figures, published in Nature Astronom