We present an open-source retrieval code named HELIOS-RETRIEVAL, designed to obtain chemical abundances and temperature-pressure profiles from inverting the measured spectra of exoplanetary atmospheres. We use an exact solution of the radiative transfer equation, in the pure absorption limit, in our forward model, which allows us to analytically integrate over all of the outgoing rays. Two chemistry models are considered: unconstrained chemistry and equilibrium chemistry (enforced via analytical formulae). The nested sampling algorithm allows us to formally implement Occam's Razor based on a comparison of the Bayesian evidence between models. We perform a retrieval analysis on the measured spectra of the four HR 8799 directly imaged exoplanets. Chemical equilibrium is disfavored for HR 8799b and c. We find supersolar C/H and O/H values for the outer HR 8799b and c exoplanets, while the inner HR 8799d and e exoplanets have a range of C/H and O/H values. The C/O values range from being superstellar for HR 8799b to being consistent with stellar for HR 8799c and being substellar for HR8799d and e. If these retrieved properties are representative of the bulk compositions of the exoplanets, then they are inconsistent with formation via gravitational instability (without late-time accretion) and consistent with a core accretion scenario in which late-time accretion of ices occurred differently for the inner and outer exoplanets. For HR 8799e, we find that spectroscopy in the K band is crucial for constraining C/O and C/H. HELIOS-RETRIEVAL is publicly available as part of the Exoclimes Simulation Platform (ESP; www.exoclime.org).

Recently acquired Hubble and Spitzer phase curves of the short-period hot Jupiter WASP-43b make it an ideal target for confronting theory with data. On the observational front, we re-analyze the 3.6 and 4.5 µm Spitzer phase curves and demonstrate that our improved analysis better removes residual red noise due to intra-pixel sensitivity, which leads to greater fluxes emanating from the nightside of WASP-43b, thus reducing the tension between theory and data. On the theoretical front, we construct cloudfree and cloudy atmospheres of WASP-43b using our Global Circulation Model (GCM), THOR, which solves the non-hydrostatic Euler equations (compared to GCMs that typically solve the hydrostatic primitive equations). The cloudfree atmosphere produces a reasonable fit to the dayside emission spectrum. The multi-phase emission spectra constrain the cloud deck to be confined to the nightside and have a finite cloud-top pressure. The multi-wavelength phase curves are naturally consistent with our cloudy atmospheres, except for the 4.5 µm phase curve, which requires the presence of enhanced carbon dioxide in the atmosphere of WASP-43b. Multi-phase emission spectra at higher spectral resolution, as may be obtained using the James Webb Space Telescope, and a reflected-light phase curve at visible wavelengths would further constrain the properties of clouds in WASP-43b.

We present the open-source radiative transfer code named HELIOS, which is constructed for studying exoplanetary atmospheres. In its initial version, the model atmospheres of HELIOS are one-dimensional and plane-parallel, and the equation of radiative transfer is solved in the two-stream approximation with non-isotropic scattering. A small set of the main infrared absorbers is employed, computed with the opacity calculator HELIOS-K and combined using a correlated-k approximation. The molecular abundances originate from validated analytical formulae for equilibrium chemistry. We compare HELIOS with the work of Miller-Ricci & Fortney using a model of GJ 1214b, and perform several tests, where we find: model atmospheres with single-temperature layers struggle to converge to radiative equilibrium; k-distribution tables constructed with 0.01 cm −1 resolution in the opacity function ( 10 3 points per wavenumber bin) may result in errors 1-10% in the synthetic spectra; and a diffusivity factor of 2 approximates well the exact radiative transfer solution in the limit of pure absorption. We construct "null-hypothesis" models (chemical equilibrium, radiative equilibrium and solar element abundances) for 6 hot Jupiters. We find that the dayside emission spectra of HD 189733b and WASP-43b are consistent with the null hypothesis, while it consistently under-predicts the observed fluxes of WASP-8b, WASP-12b, WASP-14b and WASP-33b. We demonstrate that our results are somewhat insensitive to the choice of stellar models (blackbody, Kurucz or PHOENIX) and metallicity, but are strongly affected by higher carbon-to-oxygen ratios. The code is publicly available as part of the Exoclimes Simulation Platform (ESP; exoclime.net).

Motivated by the work of Cooper & Showman, we revisit the chemical relaxation method, which seeks to enhance the computational efficiency of chemical-kinetics calculations by replacing the chemical network with a handful of independent source/sink terms. Chemical relaxation solves the evolution of the system and can treat disequilibrium chemistry, as the source/sink terms are driven towards chemical equilibrium on a prescribed chemical timescale, but it has surprisingly never been validated. First, we generalize the treatment by forgoing the use of a single chemical timescale, instead developing a pathway analysis tool that allows us to identify the rate-limiting reaction as a function of temperature and pressure. For the interconversion between methane and carbon monoxide and between ammonia, and molecular nitrogen, we identify the key rate-limiting reactions for conditions relevant to currently characterizable exo-atmospheres (500-3000 K, 0.1 mbar to 1 kbar). Second, we extend chemical relaxation to include carbon dioxide and water. Third, we examine the role of metallicity and carbon-to-oxygen ratio in chemical relaxation. Fourth, we apply our pathway analysis tool to diagnose the differences between our chemical network and that of Moses and Venot. Finally, we validate the chemical relaxation method against full chemical kinetics calculations in one dimension. For WASP-18b-, HD 189733band GJ 1214-b-like atmospheres, we show that chemical relaxation is mostly accurate to within an order of magnitude, a factor of 2 and ∼ 10%, respectively. The level of accuracy attained allows for the chemical relaxation method to be included in three-dimensional general circulation models.

Spectral features in the observed spectra of exoplanets depend on the composition of their atmospheres. A good knowledge of the main atmospheric processes that drive the chemical distribution is therefore essential to interpret exoplanetary spectra. An atmosphere reaches chemical equilibrium if the rates of the forward and backward chemical reactions converge to the same value. However, there are atmospheric processes, such as atmospheric transport, that destabilize this equilibrium. In this work we study the changes in composition driven by a 3D wind field in WASP-43b using our Global Circulation Model, THOR. Our model uses validated temperature-and pressure-dependent chemical timescales that allow us to explore the disequilibrium chemistry of CO, CO 2 , H 2 O and CH 4 . In WASP-43b the formation of the equatorial jet has an important impact in the chemical distribution of the different species across the atmosphere. At low latitudes the chemistry is longitudinally quenched, except for CO 2 at solar abundances. The polar vortexes have a distinct chemical distribution since these are regions with lower temperature and atmospheric mixing. Vertical and latitudinal mixing have a secondary impact in the chemical transport. We determine graphically the effect of disequilibrium on observed emission spectra. Our results do not show any significant differences in the emission spectra between the equilibrium and disequilibrium solutions for C/O = 0.5. However, if C/O is increased to 2.0, differences in the spectra due to the disequilibrium chemistry of CH 4 become non-negligible. In some spectral ranges the emission spectra can have more than 15% departures from the equilibrium solution.

We present new methodological features and physical ingredients included in the 1D radiative transfer code HELIOS, improving the hemispheric two-stream formalism. We conduct a thorough intercomparison survey with several established forward models, including COOLTLUSTY, PHOENIX, and find satisfactory consistency with their results. Then, we explore the impact of (i) different groups of opacity sources, (ii) a stellar path length adjustment, and (iii) a scattering correction on self-consistently calculated atmospheric temperatures and planetary emission spectra. First, we observe that temperaturepressure (T-P) profiles are very sensitive to the opacities included, with metal oxides, hydrides, the alkali atoms (and ionized hydrogen) playing an important role for the absorption of shortwave radiation (in very hot surroundings). Moreover, if these species are sufficiently abundant, they are likely to induce non-monotonic T-P profiles. Second, without the stellar path length adjustment, the incoming stellar flux is significantly underestimated for zenith angles above 80 • , which somewhat affects the upper atmospheric temperatures and the planetary emission. Third, the scattering correction improves the accuracy of the computation of the reflected stellar light by ∼ 10%. We use HELIOS to calculate a grid of cloud-free atmospheres in radiative-convective equilibrium for self-luminous planets for a range of effective temperatures, surface gravities, metallicities, and C/O ratios, to be used by planetary evolution studies. Furthermore, we calculate dayside temperatures and secondary eclipse spectra for a sample of exoplanets for varying chemistry and heat redistribution. These results may be used to make predictions on the feasibility of atmospheric characterizations with future observations.

We have designed and developed, from scratch, a global circulation model named THOR that solves the threedimensional non-hydrostatic Euler equations. Our general approach lifts the commonly used assumptions of a shallow atmosphere and hydrostatic equilibrium. We solve the "pole problem" (where converging meridians on a sphere lead to increasingly smaller time steps near the poles) by implementing an icosahedral grid. Irregularities in the grid, which lead to grid imprinting, are smoothed using the "spring dynamics" technique. We validate our implementation of spring dynamics by examining calculations of the divergence and gradient of test functions. To prevent the computational time step from being bottlenecked by having to resolve sound waves, we implement a split-explicit method together with a horizontally explicit and vertically implicit integration. We validate our global circulation model by reproducing the Earth and also the hot Jupiter-like benchmark tests. THOR was designed to run on Graphics Processing Units (GPUs), which allows for physics modules (radiative transfer, clouds, chemistry) to be added in the future, and is part of the open-source Exoclimes Simulation Platform (ESP; www.exoclime.org).

THOR is the first open-source general circulation model (GCM) developed from scratch to study the atmospheres and climates of exoplanets, free from Earth- or solar-system-centric tunings. It solves the general nonhydrostatic Euler equations (instead of the primitive equations) on a sphere using the icosahedral grid. In the current study, we report major upgrades to THOR, building on the work of Mendonça et al. First, while the horizontally explicit and vertically implicit integration scheme is the same as that described in Mendonça et al., we provide a clearer description of the scheme and improve its implementation in the code. The differences in implementation between the hydrostatic shallow, quasi-hydrostatic deep, and nonhydrostatic deep treatments are fully detailed. Second, standard physics modules are added: two-stream, double-gray radiative transfer and dry convective adjustment. Third, THOR is tested on additional benchmarks: tidally locked Earth, deep hot Jupiter, acoustic wave, and gravity wave. Fourth, we report that differences between the hydrostatic and nonhydrostatic simulations are negligible in the Earth case but pronounced in the hot Jupiter case. Finally, the effects of the so-called “sponge layer,” a form of drag implemented in most GCMs to provide numerical stability, are examined. Overall, these upgrades have improved the flexibility, user-friendliness, and stability of THOR.