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Grimm, Simon L.

Publications and source records attributed to Grimm, Simon L..

Information Content of JWST NIRSpec Transmission Spectra of Warm Neptunes

Warm Neptunes offer a rich opportunity for understanding exo-atmospheric chemistry. With the upcoming James Webb Space Telescope (JWST), there is a need to elucidate the balance between investments in telescope time versus scientific yield. We use the supervised machine-learning method of the random forest to perform an information content (IC) analysis on a 11-parameter model of transmission spectra from the various NIRSpec modes. The three bluest medium-resolution NIRSpec modes (0.7–1.27 μm, 0.97–1.84 μm, 1.66–3.07 μm) are insensitive to the presence of CO. The reddest medium-resolution mode (2.87–5.10 μm) is sensitive to all of the molecules assumed in our model: CO, CO{sub 2}, CH{sub 4}, C{sub 2}H{sub 2}, H{sub 2}O, HCN, and NH{sub 3}. It competes effectively with the three bluest modes on the information encoded on cloud abundance and particle size. It is also competitive with the low-resolution prism mode (0.6–5.3 μm) on the inference of every parameter except for the temperature and ammonia abundance. We recommend astronomers to use the reddest medium-resolution NIRSpec mode for studying the atmospheric chemistry of 800–1200 K warm Neptunes; its corresponding high-resolution counterpart offers diminishing returns. We compare our findings to previous JWST IC analyses that favor the blue orders and suggest that the reliance on chemical equilibrium could lead to biased outcomes if this assumption does not apply. A simple, pressure-independent diagnostic for identifying chemical disequilibrium is proposed based on measuring the abundances of H{sub 2}O, CO, and CO{sub 2}.

79 ASTRONOMY AND ASTROPHYSICS↗

Interpreting High-resolution Spectroscopy of Exoplanets using Cross-correlations and Supervised Machine Learning

We present a new method for performing atmospheric retrieval on ground-based, high-resolution data of exoplanets. Our method combines cross-correlation functions with a random forest, a supervised machine-learning technique, to overcome challenges associated with high-resolution data. A series of cross-correlation functions are concatenated to give a “CCF-sequence” for each model atmosphere, which reduces the dimensionality by a factor of ∼100. The random forest, trained on our grid of ∼65,000 models, provides a likelihood-free method of retrieval. The precomputed grid spans 31 values of both temperature and metallicity, and incorporates a realistic noise model. We apply our method to HARPS-N observations of the ultra-hot Jupiter KELT-9b and obtain a metallicity consistent with solar (logM = − 0.2 ± 0.2). Our retrieved transit chord temperature (T=6000{sub −200}{sup +0}K) is unreliable as strong ion lines lie outside of the extent of the training set, which we interpret as being indicative of missing physics in our atmospheric model. We compare our method to traditional nested sampling, as well as other machine-learning techniques, such as Bayesian neural networks. We demonstrate that the likelihood-free aspect of the random forest makes it more robust than nested sampling to different error distributions, and that the Bayesian neural network we tested is unable to reproduce complex posteriors. We also address the claim in Cobb et al. 2019 that our random forest retrieval technique can be overconfident but incorrect. We show that this is an artifact of the training set, rather than of the machine-learning method, and that the posteriors agree with those obtained using nested sampling.

79 ASTRONOMY AND ASTROPHYSICS↗

Self-luminous and Irradiated Exoplanetary Atmospheres Explored with HELIOS

We present new methodological features and physical ingredients included in the one-dimensional radiative transfer code HELIOS, improving the hemispheric two-stream formalism. We conduct a thorough intercomparison survey with several established forward models, including COOLTLUSTY and 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 temperature–pressure (T–P) profiles are very sensitive to the opacities included, with metal oxides, hydrides, and alkali atoms (and ionized hydrogen) playing an important role in the absorption of shortwave radiation (in very hot surroundings). Moreover, if these species are sufficiently abundant, they are likely to induce nonmonotonic 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.

79 ASTRONOMY AND ASTROPHYSICS↗

Retrieval Analysis of the Emission Spectrum of WASP-12b: Sensitivity of Outcomes to Prior Assumptions and Implications for Formation History

We analyze the emission spectrum of the hot Jupiter WASP-12b using our HELIOS-R retrieval code and HELIOS-K opacity calculator. When interpreting Hubble and Spitzer data, the retrieval outcomes are found to be prior-dominated. When the prior distributions of the molecular abundances are assumed to be log-uniform, the volume mixing ratio of HCN is found to be implausibly high. A VULCAN chemical kinetics model of WASP-12b suggests that chemical equilibrium is a reasonable assumption even when atmospheric mixing is implausibly rigorous. Guided by (exo)planet formation theory, we set Gaussian priors on the elemental abundances of carbon, oxygen, and nitrogen with the Gaussian peaks being centered on the measured C/H, O/H, and N/H values of the star. By enforcing chemical equilibrium, we find substellar O/H and stellar to slightly superstellar C/H for the dayside atmosphere of WASP-12b. The superstellar carbon-to-oxygen ratio is just above unity, regardless of whether clouds are included in the retrieval analysis, consistent with Madhusudhan et al. Furthermore, whether a temperature inversion exists in the atmosphere depends on one’s assumption for the Gaussian width of the priors. Our retrieved posterior distributions are consistent with the formation of WASP-12b in a solar-composition protoplanetary disk, beyond the water iceline, via gravitational instability or pebble accretion (without core erosion) and migration inward to its present orbital location via a disk-free mechanism, and are inconsistent with both in situ formation and core accretion with disk migration, as predicted by Madhusudhan et al. We predict that the interpretation of James Webb Space Telescope WASP-12b data will not be prior-dominated.

79 ASTRONOMY AND ASTROPHYSICS↗

HELIOS–RETRIEVAL: An Open-source, Nested Sampling Atmospheric Retrieval Code; Application to the HR 8799 Exoplanets and Inferred Constraints for Planet Formation

We present an open-source retrieval code named HELIOS–RETRIEVAL, designed to obtain chemical abundances and temperature–pressure profiles by inverting the measured spectra of exoplanetary atmospheres. In our forward model, we use an exact solution of the radiative transfer equation, in the pure absorption limit, 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 HR 8799d 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 (http://www.exoclime.org).

79 ASTRONOMY AND ASTROPHYSICS↗

Habitable Moist Atmospheres on Terrestrial Planets near the Inner Edge of the Habitable Zone around M Dwarfs

Terrestrial planets in the habitable zones (HZs) of low-mass stars and cool dwarfs have received significant scrutiny recently. Transit spectroscopy of such planets with the James Webb Space Telescope (JWST) represents our best shot at obtaining the spectrum of a habitable planet within the next decade. As these planets are likely tidally locked, improved 3D numerical simulations of such planetary atmospheres are needed to guide target selection. Here we use a 3D climate system model, updated with new water-vapor absorption coefficients derived from the HITRAN 2012 database, to study ocean-covered planets at the inner edge of the HZ around late M to mid-K stars (2600 K⩽T{sub eff}⩽4500 K). Our results indicate that these updated water-vapor coefficients result in significant warming compared to previous studies, so the inner HZ around M dwarfs is not as close as suggested by earlier work. Assuming synchronously rotating Earth-sized and Earth-mass planets with background 1 bar N{sub 2} atmospheres, we find that planets at the inner HZ of stars with T{sub eff}>3000 K undergo the classical “moist greenhouse” (H{sub 2}O mixing ratio >10{sup −3} in the stratosphere) at significantly lower surface temperature (∼280 K) in our 3D model compared with 1D climate models (∼340 K). This implies that some planets around low-mass stars can simultaneously undergo water loss and remain habitable. However, for stars with T{sub eff}⩽3000 K, planets at the inner HZ may directly transition to a runaway state, while bypassing the moist greenhouse water loss entirely. We analyze transmission spectra of planets in a moist greenhouse regime and find that there are several prominent H{sub 2}O features, including a broad feature between 5 and 8 μm, within JWST MIRI instrument range. Thus, relying only on standard Earth-analog spectra with 24 hr rotation period around M dwarfs for habitability studies will miss the strong H{sub 2}O features that one would expect to see on synchronously rotating planets around M dwarf stars, with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗

Habitable Moist Atmospheres on Terrestrial Planets near the Inner Edge of the Habitable Zone Around M Dwarfs

Terrestrial planets in the habitable zones (HZs) of low-mass stars and cool dwarfs have received significant scrutiny recently. Transit spectroscopy of such planets with the James Webb Space Telescope (JWST) represents our best shot at obtaining the spectrum of a habitable planet within the next decade. As these planets are likely tidally locked, improved 3D numerical simulations of such planetary atmospheres are needed to guide target selection. Here we use a 3D climate system model, updated with new water-vapor absorption coefficients derived from the HITRAN 2012 database, to study ocean-covered planets at the inner edge of the HZ around late M to mid- K stars (2600 K less than or equal to T(sub eff) less than or equal to 4500 K). Our results indicate that these updated water-vapor coefficients result in significant warming compared to previous studies, so the inner HZ around M dwarfs is not as close as suggested by earlier work. Assuming synchronously rotating Earth-sized and Earth-mass planets with background 1 bar N2 atmospheres, we find that planets at the inner HZ of stars with T(sub eff) greater than 3000 K undergo the classical ''moist greenhouse'' (H2O mixing ratio greater than 10(exp -3) in the stratosphere) at significantly lower surface temperature (approx. 280 K) in our 3D model compared with 1D climate models (approx. 340 K). This implies that some planets around low-mass stars can simultaneously undergo water loss and remain habitable. However, for stars with T(sub eff) less than or equal to 3000 K, planets at the inner HZ may directly transition to a runaway state, while bypassing the moist greenhouse water loss entirely. We analyze transmission spectra of planets in a moist greenhouse regime and find that there are several prominent H2O features, including a broad feature between 5 and 8 micron, within JWST MIRI instrument range. Thus, relying only on standard Earth-analog spectra with 24 hr rotation period around M dwarfs for habitability studies will miss the strong H2O features that one would expect to see on synchronously rotating planets around M dwarf stars, with JWST.

Kopparapu, Ravi kumar↗

HELIOS: AN OPEN-SOURCE, GPU-ACCELERATED RADIATIVE TRANSFER CODE FOR SELF-CONSISTENT EXOPLANETARY ATMOSPHERES

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 nonisotropic 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 and 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{sup −1} resolution in the opacity function (≲10{sup 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 elemental abundances) for six hot Jupiters. We find that the dayside emission spectra of HD 189733b and WASP-43b are consistent with the null hypothesis, while the latter consistently underpredicts 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 (exoclime.net).

79 ASTRONOMY AND ASTROPHYSICS↗

THOR: A NEW AND FLEXIBLE GLOBAL CIRCULATION MODEL TO EXPLORE PLANETARY ATMOSPHERES

We have designed and developed, from scratch, a global circulation model (GCM) named THOR that solves the three-dimensional nonhydrostatic 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 GCM by reproducing the Earth and 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 (www.exoclime.org).

79 ASTRONOMY AND ASTROPHYSICS↗