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Atmospheres above lava-ocean planets (LOPs) hold clues as to the properties of their interiors, owing to the expectation that the two reservoirs are in chemical equilibrium. Here we consider `mineral' atmospheres produced in equilibrium with silicate liquids. We treat oxygen fugacity ($f$O$_2$) as an independent variable, together with temperature ($T$) and composition ($X$), to compute equilibrium partial pressures ($p$) of stable gas species at the liquid-gas interface. Above this boundary, the atmospheric speciation and the pressure-temperature structure are computed self-consistently to yield emission spectra. We explore a wide array of plausible compositions, oxygen fugacities (between 6 log$_{10}$ units below- and above the iron-w\"ustite buffer, IW) and irradiation temperatures (2000, 2500, 3000 and 3500 K) relevant to LOPs. We find that SiO(g), Fe(g) and Mg(g) are the major species below $\sim$IW, ceding to O$_2$(g) and O(g) in more oxidised atmospheres. The transition between the two regimes demarcates a minimum in total pressure ($P$). Because $p$ scales linearly with $X$, emission spectra are only modest functions of composition. By contrast, $f$O$_2$ can vary over orders of magnitude, thus causing commensurate changes in $p$. Reducing atmospheres show intense SiO emission, creating a temperature inversion in the upper atmosphere. Conversely, oxidised atmospheres have lower $p$SiO and lack thermal inversions, with resulting emission spectra that mimic that of a black body. Consequently, the intensity of SiO emission relative to the background, generated by MgO(g), can be used to quantify the $f$O$_2$ of the atmosphere. Depending on the emission spectroscopy metric of the target, deriving the $f$O$_2$ of known nearby LOPs is possible with a few secondary occultations observed by JWST.

Ultra-hot Jupiters are tidally locked with their host stars dividing their atmospheres into a hot dayside and a colder nightside. As the planet moves through transit, different regions of the atmosphere rotate into view revealing different chemical regimes. High-resolution spectrographs can observe asymmetries and velocity shifts, and offer the possibility for time-resolved spectroscopy. In this study, we search for other atoms and molecules in the planet`s transmission spectrum and investigate asymmetric signals. We analyse and combine eight transits of the ultra-hot Jupiter WASP-189 b taken with the HARPS, HARPS-N, ESPRESSO and MAROON-X high-resolution spectrographs. Using the cross-correlation technique, we search for neutral and ionised atoms, and oxides and compare the obtained signals to model predictions. We report significant detections for H, Na, Mg, Ca, Ca+, Ti, Ti+, TiO, V, Cr, Mn, Fe, Fe+, Ni, Sr, Sr+, and Ba+. Of these, Sr, Sr+, and Ba+ are detected for the first time in the transmission spectrum of WASP-189 b. In addition, we robustly confirm the detection of titanium oxide based on observations with HARPS and HARPS-N using the follow-up observations performed with MAROON-X and ESPRESSO. By fitting the orbital traces of the detected species by means of time-resolved spectroscopy using a Bayesian framework, we infer posterior distributions for orbital parameters as well as lineshapes. Our results indicate that different species must originate from different regions of the atmosphere to be able to explain the observed time dependence of the signals. Throughout the course of the transit, most signal strengths are expected to increase due to the larger atmospheric scale height at the hotter trailing terminator. For some species, however, the signals are instead observed to weaken due to ionisation for atoms and their ions, or the dissociation of molecules on the dayside., Comment: 38 pages, 34 figures, published in A&A on October 24, 2023

General circulation models (GCMs) provide context for interpreting multi-wavelength, multi-phase data of the atmospheres of tidally locked exoplanets. In the current study, the non-hydrostatic THOR GCM is coupled with the HELIOS radiative transfer solver for the first time, supported by an equilibrium chemistry solver (FastChem), opacity calculator (HELIOS-K) and Mie scattering code (LX-MIE). To accurately treat the scattering of radiation by medium-sized to large aerosols/condensates, improved two-stream radiative transfer is implemented within a GCM for the first time. Multiple scattering is implemented using a Thomas algorithm formulation of the two-stream flux solutions, which decreases the computational time by about 2 orders of magnitude compared to the iterative method used in past versions of HELIOS. As a case study, we present four GCMs of the hot Jupiter WASP-43b, where we compare the temperature, velocity, entropy, and streamfunction, as well as the synthetic spectra and phase curves, of runs using regular versus improved two-stream radiative transfer and isothermal versus non-isothermal layers. While the global climate is qualitatively robust, the synthetic spectra and phase curves are sensitive to these details. A THOR+HELIOS WASP-43b GCM (horizontal resolution of about 4 degrees on the sphere and with 40 radial points) with multi-wavelength radiative transfer (30 k-table bins) running for 3000 Earth days (864,000 time steps) takes about 19-26 days to complete depending on the type of GPU., Comment: 31 pages, 24 figures, accepted for publication at MNRAS

We present recent updates and improvements of the graphical processing unit (GPU) N-body code GENGA. Modern state-of-the-art simulations of planet formation require the use of a very high number of particles to accurately resolve planetary growth and to quantify the effect of dynamical friction. At present the practical upper limit is in the range of 30,000 - 60,000 fully interactive particles; possibly a little more on the latest GPU devices. While the original hybrid symplectic integration method has difficulties to scale up to these numbers, we have improved the integration method by i) introducing higher level changeover functions and ii) code improvements to better use the most recent GPU hardware efficiently for such large simulations. We added treatments of non-Newtonian forces such as general relativity, tidal interaction, rotational deformation, the Yarkovsky effect, and Poynting-Robertson drag, as well as a new model to treat virtual collisions of small bodies in the solar system. We added new tools to GENGA, such as semi-active test particles that feel more massive bodies but not each other, a more accurate collision handling and a real-time openGL visualization. We present example simulations, including a 1.5 billion year terrestrial planet formation simulation that initially started with 65,536 particles, a 3.5 billion year simulation without gas giants starting with 32,768 particles, the evolution of asteroid fragments in the solar system, and the planetesimal accretion of a growing Jupiter simulation. GENGA runs on modern NVIDIA and AMD GPUs., Comment: Accepted for publication in ApJ, 30 pages, 19 figures

The atmospheres of ultra-hot Jupiters are highly interesting and unique chemical laboratories. Due to the very high atmospheric temperatures, their chemical composition is dominated by atoms and ions instead of molecules, and the formation of aerosols on their day-sides is unlikely. Thus, for these planets detailed chemical characterisations via the direct detection of elements through high-resolution day-side and transit spectroscopy are possible. This in principle allows the element abundances of these objects to be directly inferred, which may provide crucial constraints on their formation process and evolution history. In the recent past, several chemical species, mostly in the form of atoms and ions, have already been detected using high-resolution spectroscopy in combination with the cross-correlation technique. As part of the Mantis network, we provide a grid of standard templates in this study, designed to be used together with the cross-correlation method. This allows for the straightforward detection of chemical species in the atmospheres of hot extrasolar planets. In total, we calculate high-resolution templates for more than 140 different species across several atmospheric temperatures. In addition to the high-resolution templates, we also provide line masks that just include the position of line peaks and their absorption depths relative to the spectral continuum. A separate version of these line masks also takes potential blending effects with lines of other species into account. All templates and line masks are publicly available on the CDS data server., Comment: Accepted for publication in A&A, Vol 669, A113

The Trappist-1 system contains seven roughly Earth-sized planets locked in a multi-resonant orbital configuration, which has enabled precise measurements of the planets' masses and constrained their compositions. Here we use the system's fragile orbital structure to place robust upper limits on the planets' bombardment histories. We use N-body simulations to show how perturbations from additional objects can break the multi-resonant configuration by either triggering dynamical instability or simply removing the planets from resonance. The planets cannot have interacted with more than ${\sim 5\%}$ of an Earth mass (${M_\oplus}$) in planetesimals -- or a single rogue planet more massive than Earth's Moon -- without disrupting their resonant orbital structure. This implies an upper limit of ${10^{-4}}$ to ${10^{-2} M_\oplus}$ of late accretion on each planet since the dispersal of the system's gaseous disk. This is comparable to or less than the late accretion on Earth after the Moon-forming impact, and demonstrates that the Trappist-1 planets' growth was complete in just a few million years, roughly an order of magnitude faster than Earth's. Our results imply that any large water reservoirs on the Trappist-1 planets must have been incorporated during their formation in the gaseous disk., Comment: Published in Nature Astronomy (Nov 25, 2021). This is the authors' version including Methods and Supplementary Info

Radiative-transfer (RT) is a key component for investigating atmospheres of planetary bodies. With the 3D nature of exoplanet atmospheres being important in giving rise to their observable properties, accurate and fast 3D methods are required to be developed to meet future multi-dimensional and temporal data sets. We develop an open source GPU RT code, gCMCRT, a Monte Carlo RT forward model for general use in planetary atmosphere RT problems. We aim to automate the post-processing pipeline, starting from direct global circulation model (GCM) output to synthetic spectra. We develop albedo, emission and transmission spectra modes for 3D and 1D input structures. We include capability to use correlated-k and high-resolution opacity tables, the latter of which can be Doppler shifted inside the model. We post-process results from several GCM groups including ExoRad, SPARC/MITgcm THOR, UK Met Office UM, Exo-FMS and the Rauscher model. Users can therefore take advantage of desktop and HPC GPU computing solutions. gCMCRT is well suited for post-processing large GCM model grids produced by members of the community and for high-resolution 3D investigations., Comment: 20 pages, 9 figures, submitted to ApJ 29/10/21, revised post-reviewer comments 18/3/22

Recent improvements to GPU hardware and the symplectic N-body code GENGA allow for unprecedented resolution in simulations of planet formation. In this paper, we report results from high-resolution N-body simulations of terrestrial planet formation that are mostly direct continuation of our previous 10 Myr simulations (Woo et al. 2021a) until 150 Myr. By assuming that Jupiter and Saturn have always maintained their current eccentric orbits (EJS), we are able to achieve a reasonably good match to the current inner solar system architecture. However, due to the strong radial mixing that occurs in the EJS scenario, it has difficulties in explaining the known isotopic differences between bodies in the inner solar system, most notably between Earth and Mars. On the other hand, assuming initially circular orbits for Jupiter and Saturn (CJS) can reproduce the observed low degree of radial mixing in the inner solar system, while failing to reproduce the current architecture of the inner solar system. These outcomes suggest a possible paradox between dynamical structure and cosmochemical data for the terrestrial planets within the classical formation scenario.

Radiative-transfer (RT) is a fundamental part of modelling exoplanet atmospheres with general circulation models (GCMs). An accurate RT scheme is required for estimates of the atmospheric energy transport and for gaining physical insight from model spectra. We implement three RT schemes for Exo-FMS: semi-grey, non-grey `picket fence', and real gas with correlated-k. We benchmark the Exo-FMS GCM using these RT schemes to hot Jupiter simulation results from the literature. We perform a HD 209458b-like simulation with the three schemes and compare their results. These simulations are then post-processed to compare their observable differences. The semi-grey scheme results show qualitative agreement with previous studies in line with variations seen between GCM models. The real gas model reproduces well the temperature and dynamical structures from other studies. After post-processing our non-grey picket fence scheme compares very favourably with the real gas model, producing similar transmission spectra, emission spectra and phase curve behaviours. Exo-FMS is able to reliably reproduce the essential features of contemporary GCM models in the hot gas giant regime. Our results suggest the picket fence approach offers a simple way to improve upon RT realism beyond semi-grey schemes., Comment: MNRAS accepted 22 June 2021 - V2, typos fixed

Recent high precision meteoritic data improve constraints on the formation timescale and bulk composition of the terrestrial planets. High resolution N-body simulations allow direct comparison of embryo growth timescale and accretion zones to these constraints. In this paper, we present results of high resolution simulations for embryo formation from a disc of up to 41,000 fully-self gravitating planetesimals with the GPU-based N-body code GENGA. Our results indicate that the growth of embryos are highly dependent on the initial conditions. More massive initial planetesimals, a shorter gas disc decay timescale and initially eccentric Jupiter and Saturn (EJS) all lead to faster growth of embryos. Asteroid belt material can thereby be implanted into the terrestrial planet region via sweeping secular resonances. This could possibly explain the rapid growth of Mars within 10 Myr inferred from its Hf-W chronology. The sweeping secular resonance almost completely clears the asteroid belt and deposits this material in the Mercury-Venus region, altering the composition of embryos there. This could result in embryos in the Mercury-Venus region accreting an unexpectedly high mass fraction from beyond 2 AU. Changing the initial orbits of Jupiter and Saturn to more circular (CJS) or assuming embryos formed in a gas free environment removes the sweeping secular resonance effect and thus greatly decreases material accreted from beyond 2 AU for Mercury-Venus region embryos. We therefore propose that rock samples from Mercury and Venus could aid greatly in deducing the condition and lifetime of the initial protoplanetary gas disc during planetesimal and embryo formation, as well as the initial architecture of the giant planets., Comment: Accepted for publication in Icarus

Computing and using opacities is a key part of modeling and interpreting data of exoplanetary atmospheres. Since the underlying spectroscopic line lists are constantly expanding and currently include up to ~ 10^10 - 10^11 transition lines, the opacity calculator codes need to become more powerful. Here we present major upgrades to the HELIOS-K GPU-accelerated opacity calculator and describe the necessary steps to process large line lists within a reasonable amount of time. Besides performance improvements, we include more capabilities and present a toolbox for handling different atomic and molecular data sets: from downloading and pre-processing the data to performing the opacity calculations in a user-friendly way. HELIOS-K supports line lists from ExoMol, HITRAN, HITEMP, NIST, Kurucz and VALD3. By matching the resolution of 0.1 cm^-1 and cutting length of 25 cm^-1 used by the ExoCross code for timing performance (251 seconds excluding data read-in time), HELIOS-K can process the ExoMol BT2 water line list in 12.5 seconds. Using a resolution of 0.01 cm^-1, it takes 45 seconds - equivalent to about 10^7 lines per second. As a wavenumber resolution of 0.01 cm^-1 suffices for most exoplanetary atmosphere spectroscopic calculations, we adopt this resolution in calculating opacity functions for several hundred atomic and molecular species, and make them freely available on the open-access DACE database. For the opacity calculations of the database, we use a cutting length of 100 cm^-1 for molecules and no cutting length for atoms. Our opacities are available for downloading from https://dace.unige.ch/opacityDatabase and may be visualized using https://dace.unige.ch/opacity., Comment: Published in The Astrophysical Journal Supplement Series

The moons of giant planets are believed to form in situ in Circumplanetary Discs (CPDs). Here we present an N-body population synthesis framework for satellite formation around a Jupiter-like planet, in which the dust-to-gas ratio, the accretion rate of solids from the Protoplanetary Disc, the number, and the initial positions of protosatellites were randomly chosen from realistic distributions. The disc properties were from 3D radiative simulations sampled in 1D and 2D grids and evolved semi-analytically with time. The N-body satellitesimals accreted mass from the dust component of the disc, interacted gravitationally with each other, experienced close-encounters, both scattering and colliding. With this improved modeling, we found that about $15\%$ of the resulting population is more massive than the Galilean one, and only $8.5\%$ were in resonances. The moons reach Europa's mass most frequently in $10^5$ years. In $10\%$ of the cases, moons are engulfed by the planet, and $1\%$ of the satellite-systems lose at least 1 Earth-mass into the planet, contributing to the giant planet's envelope's heavy element content. In $1\%$ of cases, we found eccentricities and inclinations of moons above 0.1. We examined the differences in outcome between the 1D and 2D disc models and used machine learning (Randomized Dependence Coefficient together with t-SNE) to compare our population with the Galilean system. Detecting our population around known transiting Jupiter-like planets via transits and TTVs would be challenging, but $14\%$ of the moons could be with an instrumental transit sensitivity of $10^{-5}$.

We have collected transit times for the TRAPPIST-1 system with the Spitzer Space Telescope over four years. We add to these ground-based, HST and K2 transit time measurements, and revisit an N-body dynamical analysis of the seven-planet system using our complete set of times from which we refine the mass ratios of the planets to the star. We next carry out a photodynamical analysis of the Spitzer light curves to derive the density of the host star and the planet densities. We find that all seven planets' densities may be described with a single rocky mass-radius relation which is depleted in iron relative to Earth, with Fe 21 wt% versus 32 wt% for Earth, and otherwise Earth-like in composition. Alternatively, the planets may have an Earth-like composition, but enhanced in light elements, such as a surface water layer or a core-free structure with oxidized iron in the mantle. We measure planet masses to a precision of 3-5%, equivalent to a radial-velocity (RV) precision of 2.5 cm/sec, or two orders of magnitude more precise than current RV capabilities. We find the eccentricities of the planets are very small; the orbits are extremely coplanar; and the system is stable on 10 Myr timescales. We find evidence of infrequent timing outliers which we cannot explain with an eighth planet; we instead account for the outliers using a robust likelihood function. We forecast JWST timing observations, and speculate on possible implications of the planet densities for the formation, migration and evolution of the planet system., Comment: Final version to be published in the Planetary Sciences Journal. 56 pages, 30 figures. Data from the paper and a complete table of forecast JWST times may be found at https://github.com/ericagol/TRAPPIST1_Spitzer/

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 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 microns, 0.97 - 1.84 microns, 1.66 - 3.07 microns) are insensitive to the presence of CO. The reddest medium-resolution mode (2.87 - 5.10 microns) is sensitive to all of the molecules assumed in our model: CO, CO2, CH4, C2H2, H2O, HCN and NH3. 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 microns) 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 information content 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 H2O, CO and CO2., Comment: 21 pages, 17 figures, 3 tables. Accepted by AJ

We report detections of atomic species in the atmosphere of MASCARA-2 b, using the first transit observations obtained with the newly commissioned EXPRES spectrograph. EXPRES is a highly stabilised optical echelle spectrograph, designed to detect stellar reflex motions with amplitudes down to 30 cm/s, and was recently deployed at the Lowell Discovery Telescope. By analysing the transmission spectrum of the ultra-hot Jupiter MASCARA-2 b using the cross-correlation method, we confirm previous detections of Fe I, Fe II and Na I, which likely originate in the upper regions of the inflated atmosphere. In addition, we report significant detections of Mg I and Cr II. The absorption strengths change slightly with time, possibly indicating different temperatures and chemistry in the day-side and night-side terminators. Using the effective stellar line-shape variation induced by the transiting planet, we constrain the projected spin-orbit misalignment of the system to $1.6\pm3.1$ degrees, consistent with an aligned orbit. We demonstrate that EXPRES joins a suite of instruments capable of phase-resolved spectroscopy of exoplanet atmospheres., Comment: Accepted for publication in A&A, 20 pages, 22 figures

Transit Timing Variations, or TTVs, can be a very efficient way of constraining masses and eccentricities of multi-planet systems. Recent measurements of the TTVs of TRAPPIST-1 led to an estimate of the masses of the planets, enabling an estimate of their densities. A recent TTV analysis using data obtained in the past two years yields a 34% and 13% increase in mass for TRAPPIST-1b and c, respectively. In most studies to date, a Newtonian N-body model is used to fit the masses of the planets, while sometimes general relativity is accounted for. Using the Posidonius N-body code, we show that in the case of the TRAPPIST-1 system, non-Newtonian effects might be also relevant to correctly model the dynamics of the system and the resulting TTVs. In particular, using standard values of the tidal Love number $k_2$ (accounting for the tidal deformation) and the fluid Love number $k_{2f}$ (accounting for the rotational flattening) leads to differences in the TTVs of TRAPPIST-1b and c similar to the differences caused by general relativity. We also show that relaxing the values of tidal Love number $k_2$ and the fluid Love number $k_{2f}$ can lead to TTVs which differ by as much as a few 10~s on a $3-4$-year timescale, which is a potentially observable level. The high values of the Love numbers needed to reach observable levels for the TTVs could be achieved for planets with a liquid ocean, which, if detected, might then be interpreted as a sign that TRAPPIST-1b and TRAPPIST-1c could have a liquid magma ocean. For TRAPPIST-1 and similar systems, the models to fit the TTVs should potentially account for general relativity, for the tidal deformation of the planets, for the rotational deformation of the planets and, to a lesser extent, for the rotational deformation of the star, which would add up to 7x2+1 = 15 additional free parameters in the case of TRAPPIST-1., Comment: 7 pages, 3 figures. Accepted for publication in Astronomy & Astrophysics

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 non-hydrostatic 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 upon the work of Mendon\c{c}a et al. (2016). First, while the Horizontally Explicit Vertically Implicit (HEVI) integration scheme is the same as that described in Mendon\c{c}a et al. (2016), we provide a clearer description of the scheme and improved its implementation in the code. The differences in implementation between the hydrostatic shallow (HSS), quasi-hydrostatic deep (QHD) and non-hydrostatic deep (NHD) 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 non-hydrostatic 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., Comment: 57 pages, 31 figures, revised, accepted for publication in ApJS

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 pre-computed 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 = $-0.2\pm0.2$). Our retrieved transit chord temperature (T = $6000^{+0}_{-200}$K) is unreliable as the ion cross-correlations lie outside 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 over-confident but incorrect. We show that this is an artefact of the training set, rather than the machine learning method, and that the posteriors agree with those obtained using nested-sampling., Comment: 15 pages, 18 figures

We present an improved, hybrid CPU-GPU atmospheric retrieval code, Helios-r2, which is applicable to medium-resolution emission spectra of brown dwarfs, in preparation for precision atmospheric spectroscopy in the era of the James Webb Space Telescope. The model is available as open-source code on the Exoclimes Simulation Platform. We subject Helios-r2 to a battery of tests of varying difficulty. The simplest test involves a mock retrieval on a forward model generated using the same radiative transfer technique, the same implementation of opacities, and the same chemistry model. The least trivial test involves a mock retrieval on synthetic spectra from the Sonora model grid, which uses a different radiative transfer technique, a different implementation of opacities, and a different chemistry model. A calibration factor, which is included to capture uncertainties in the brown dwarf radius, distance to the brown dwarf and flux calibration of the spectrum, may compensate, sometimes erroneously, for discrepancies in modeling choices and implementation. We analyze spectra of the benchmark brown dwarf GJ 570 D and the binary brown dwarf companions in the Epsilon Indi system. The retrieved surface gravities are consistent with previous studies and/or values inferred from dynamical masses (for Epsilon Indi Ba and Bb only). There remains no clear criterion on how to reject unphysical values of the retrieved brown dwarf radii. The inferred radii and corresponding masses should be taken with great caution. The retrieved carbon-to-oxygen ratios and metallicity depend on whether chemical equilibrium is assumed., Comment: Accepted for publication in ApJ. The code is available under https://github.com/exoclime/Helios-r2

Current observational data of exoplanets are providing increasing detail of their 3D atmospheric structures. As characterisation efforts expand in scope, the need to develop consistent 3D radiative-transfer methods becomes more pertinent as the complex atmospheric properties of exoplanets are required to be modelled together consistently. We aim to compare the transmission and emission spectra results of a 3D Monte Carlo Radiative Transfer (MCRT) model to contemporary radiative-transfer suites. We perform several benchmarking tests of a MCRT code, Cloudy Monte Carlo Radiative Transfer (CMCRT), to transmission and emission spectra model output. We add flexibility to the model through the use of k-distribution tables as input opacities. We present a hybrid MCRT and ray tracing methodology for the calculation of transmission spectra with a multiple scattering component. CMCRT compares well to the transmission spectra benchmarks at the 10s of ppm level. Emission spectra benchmarks are consistent to within 10% of the 1D models. We suggest that differences in the benchmark results are likely caused by geometric effects between plane-parallel and spherical models. In a practical application, we post-process a cloudy 3DHD 189733b GCM model and compare to available observational data. Our results suggest the core methodology and algorithms of CMCRT produce consistent results to contemporary radiative transfer suites. 3D MCRT methods are highly suitable for detailed post-processing of cloudy and non-cloudy 1D and 3D exoplanet atmosphere simulations in instances where atmospheric inhomogeneities, significant limb effects/geometry or multiple scattering components are important considerations., Comment: Accepted for publication in MNRAS

Accurate line lists are crucial for correctly modelling a variety of astrophysical phenomena, including stellar photospheres and the atmospheres of extra-solar planets. This paper presents a new line database Toto for the main isotopologues of titanium oxide (TiO): $^{46}$Ti$^{16}$O, $^{47}$Ti$^{16}$O, $^{48}$Ti$^{16}$O, $^{49}$Ti$^{16}$O and $^{50}$Ti$^{16}$O. The TiO line list contains transitions with wave-numbers up to 30,000 cm$^{-1}$ ie long-wards of 0.33 $\mu$m. The Toto line list includes all dipole-allowed transitions between 13 low-lying electronic states (X $^3\Delta$, a $^1\Delta$, d $^1\Sigma^+$, E $^3\Pi$, A $^3\Phi$ B $^3\Pi$, C $^3\Delta$, b $^1\Pi$, c $^1\Phi$, f $^1\Delta$, e $^1\Sigma^+$). Ab initio potential energy curves (PECs) are computed at the icMRCI level and combined with spin-orbit and other coupling curves. These PECs and couplings are iteratively refined to match known empirical energy levels. Accurate line intensities are generated using ab initio dipole moment curves. The Toto line lists are appropriate for temperatures below 5000 K and contain 30 million transitions for TiO; it is made available in electronic form via the CDS data centre and via www.exomol.com. Tests of the line lists show greatly improved agreement with observed spectra for objects such as M-dwarfs GJ876 and GL581.

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 temperature-pressure (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{\deg}, 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., Comment: 33 pages, 18 figures, accepted for publication in AJ

The chemical composition of an exoplanet is a key ingredient in constraining its formation history. Iron is the most abundant transition metal, but has never been directly detected in an exoplanet due to its highly refractory nature. KELT-9b (HD 195689b) is the archetype of the class of ultra-hot Jupiters that straddle the transition between stars and gas-giant exoplanets and serve as distinctive laboratories for studying atmospheric chemistry, because of its high equilibrium temperature of 4050 +/- 180 K. These properties imply that its atmosphere is a tightly constrained chemical system that is expected to be nearly in chemical equilibrium and cloud-free. It was previously predicted that the spectral lines of iron will be detectable in the visible range of wavelengths. At these high temperatures, iron and several other transition metals are not sequestered in molecules or cloud particles and exist solely in their atomic forms. Here, we report the direct detection of atomic neutral and singly-ionized iron (Fe and Fe+), and singly-ionized titanium (Ti+) in KELT-9b via the cross-correlation technique applied to high-resolution spectra obtained during the primary transit of the exoplanet., Comment: 7 pages, 4 figures

Interior characterization traditionally relies on individual planetary properties, ignoring correlations between different planets of the same system. For multi-planetary systems, planetary data are generally correlated. This is because, the differential masses and radii are better constrained than absolute planetary masses and radii. We explore such correlations and data specific to the multiplanetary-system of TRAPPIST-1 and study their value for our understanding of planet interiors. Furthermore, we demonstrate that the rocky interior of planets in a multi-planetary system can be preferentially probed by studying the most dense planet representing a rocky interior analogue. Our methodology includes a Bayesian inference analysis that uses a Markov chain Monte Carlo scheme. Our interior estimates account for the anticipated variability in the compositions and layer thicknesses of core, mantle, water oceans and ice layers, and a gas envelope. Our results show that (1) interior estimates significantly depend on available abundance proxies and (2) that the importance of inter-dependent planetary data for interior characterization is comparable to changes in data precision by 30 %. For the interiors of TRAPPIST-1 planets, we find that possible water mass fractions generally range from 0-25 %. The lack of a clear trend of water budgets with orbital period or planet mass challenges possible formation scenarios. While our estimates change relatively little with data precision, they critically depend on data accuracy. If planetary masses varied within ~24 %, interiors would be consistent with uniform (~7 %) or an increasing water mass fractions with orbital period (~2-12 %)., Comment: Accepted for publication in ApJ, 20 pages, 14 figures

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., Comment: Accepted for publication in ApJ

The short period ($0.94$-day) transiting exoplanet WASP-19b is an exceptional target for transmission spectroscopy studies, due to its relatively large atmospheric scale-height ($\sim 500$ km) and equilibrium temperature ($\sim 2100$ K). Here we report on six precise spectroscopic Magellan/IMACS observations, five of which target the full optical window from $0.45-0.9\mu$m and one targeting the $0.4-0.55\mu$m blue-optical range. Five of these datasets are consistent with a transmission spectrum without any significant spectral features, while one shows a significant slope as a function of wavelength, which we interpret as arising from photospheric heterogeneities in the star. Coupled with HST/WFC3 infrared observations, our optical/near-infrared measurements point to the presence of high altitude clouds in WASP-19b's atmosphere in agreement with previous studies. Using a semi-analytical retrieval approach, considering both planetary and stellar spectral features, we find a water abundance consistent with solar for WASP-19b and strong evidence for sub-solar abundances for optical absorbers such as TiO and Na; no strong optical slope is detected, which suggests that if hazes are present, they are much weaker than previously suggested. In addition, two spot-crossing events are observed in our datasets and analyzed, including one of the first unambiguously detected bright spot-crossing events on an exoplanet host star., Comment: 20 pages (plus 5 for the Appendix), 17 figures, 5 tables. MNRAS, in press

Context. The TRAPPIST-1 system hosts seven Earth-sized, temperate exoplanets orbiting an ultra-cool dwarf star. As such, it represents a remarkable setting to study the formation and evolution of terrestrial planets that formed in the same protoplanetary disk. While the sizes of the TRAPPIST-1 planets are all known to better than 5% precision, their densities have significant uncertainties (between 28% and 95%) because of poor constraints on the planet's masses. Aims.The goal of this paper is to improve our knowledge of the TRAPPIST-1 planetary masses and densities using transit-timing variations (TTV). The complexity of the TTV inversion problem is known to be particularly acute in multi-planetary systems (convergence issues, degeneracies and size of the parameter space), especially for resonant chain systems such as TRAPPIST-1. Methods. To overcome these challenges, we have used a novel method that employs a genetic algorithm coupled to a full N-body integrator that we applied to a set of 284 individual transit timings. This approach enables us to efficiently explore the parameter space and to derive reliable masses and densities from TTVs for all seven planets. Results. Our new masses result in a five- to eight-fold improvement on the planetary density uncertainties, with precisions ranging from 5% to 12%. These updated values provide new insights into the bulk structure of the TRAPPIST-1 planets. We find that TRAPPIST-1\,c and e likely have largely rocky interiors, while planets b, d, f, g, and h require envelopes of volatiles in the form of thick atmospheres, oceans, or ice, in most cases with water mass fractions less than 5%., Comment: in press in Astronomy & Astrophysics, 24 pages, 13 figures

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 189733b- and GJ 1214-b-like atmospheres, we show that chemical relaxation is mostly accurate to within an order of magnitude, a factor of 2 and $\sim 10\%$, respectively. The level of accuracy attained allows for the chemical relaxation method to be included in three-dimensional general circulation models., Comment: Accepted by ApJ. 19 pages, 14 figures

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. (2011). 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 inwards 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. (2017). We predict that the interpretation of James Webb Space Telescope WASP-12b data will not be prior-dominated., Comment: Accepted by ApJL. 7 pages, 5 figures

Terrestrial planets in the habitable zones (HZs) of low-mass stars and cool dwarfs have received significant scrutiny recently because their shorter orbital periods increase their chances of detection and characterization compared to planets around G-dwarfs. As these planets are likely tidal-locked, improved 3D numerical simulations of such planetary atmospheres are needed to guide target selection. Here we use a 3-D 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 <= Teff <= 4500K). 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 planets with background 1 bar N2 atmospheres, we find that planets at the inner HZ of stars with Teff > 3000K undergo the classical "moist-greenhouse" (H2O mixing ratio > 10-3 in the stratosphere) at significantly lower surface temperature (~ 280K) in our 3-D model compared with 1-D climate models (~ 340K). This implies that some planets around low mass stars can simultaneously undergo water-loss and remain habitable. However, for star with Teff <= 3000K, 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 green-house regime, and find that there are several prominent H2O features within JWST instruments range. Thus, relying only upon standard Earth-analog spectra with 24-hour 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., Comment: Accepted to Astrophysical Journal

The TRAPPIST-1 system is the first transiting planet system found orbiting an ultra-cool dwarf star. At least seven planets similar to Earth in radius and in mass were previously found to transit this host star. Subsequently, TRAPPIST-1 was observed as part of the K2 mission and, with these new data, we report the measurement of an 18.77 d orbital period for the outermost planet, TRAPPIST-1h, which was unconstrained until now. This value matches our theoretical expectations based on Laplace relations and places TRAPPIST-1h as the seventh member of a complex chain, with three-body resonances linking every member. We find that TRAPPIST-1h has a radius of 0.727 Earth radii and an equilibrium temperature of 173 K. We have also measured the rotational period of the star at 3.3 d and detected a number of flares consistent with a low-activity, middle-aged, late M dwarf., Comment: 42 pages, 8 figures, 2 tables

We present an open-source retrieval code named HELIOS-Retrieval (hereafter HELIOS-R), designed to obtain chemical abundances and temperature-pressure profiles from inverting the measured spectra of exoplanetary atmospheres. In the current implementation, 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 (instead of performing Gaussian quadrature). Two chemistry models are considered: unconstrained chemistry (where the mixing ratios are treated as free parameters) and equilibrium chemistry (enforced via analytical formulae, where only the elemental abundances are free parameters). 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 HR 8799b, c, d and e directly imaged exoplanets. Chemical equilibrium is disfavored by the Bayesian evidence for HR 8799b, c and d. We find supersolar C/O, C/H and O/H values for the outer HR 8799b and c exoplanets, while the inner HR 8799d and e exoplanets have substellar C/O, substellar C/H and superstellar O/H values. 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-R is publicly available as part of the Exoclimes Simulation Platform (ESP; www.exoclime.org)., Comment: 27 pages, 21 figures, 3 tables, published in AJ

We have designed and developed, from scratch, a global circulation model named THOR that solves the three-dimensional 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)., Comment: Accepted for publication in ApJ

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 $\gtrsim 0.01$ cm$^{-1}$ resolution in the opacity function ($ \lesssim 10^3$ points per wavenumber bin) may result in errors $\gtrsim 1$-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)., Comment: 24 pages, 14 figures, accepted for publication in ApJ

Terrestrial planets are thought to be the result of a vast number of gravitational interactions and collisions between smaller bodies. We use numerical simulations to show that practically identical initial conditions result in a wide array of final planetary configurations. This is a result of the chaotic evolution of trajectories which are highly sensitive to minuscule displacements. We determine that differences between systems evolved from virtually identical initial conditions can be larger than the differences between systems evolved from very different initial conditions. This implies that individual simulations lack predictive power. For example, there is not a reproducible mapping between the initial and final surface density profiles. However, some key global properties can still be extracted if the statistical spread across many simulations is considered. Based on these spreads, we explore the collisional growth and orbital properties of terrestrial planets which assemble from different initial conditions (we vary the initial planetesimal distribution, planetesimal masses, and giant planet orbits). Confirming past work, we find that the resulting planetary systems are sculpted by sweeping secular resonances. Configurations with giant planets on eccentric orbits produce fewer and more massive terrestrial planets on tighter orbits than those with giants on circular orbits. This is further enhanced if the initial mass distribution is biased to the inner regions. In all cases, the outer edge of the system is set by the final location of the $\nu_6$ resonance and we find that the mass distribution peaks at the $\nu_5$ resonance. Using existing observations, we find that extrasolar systems follow similar trends. Although differences between our numerical modelling and exoplanetary systems remain, we suggest that CoRoT-7, HD 20003, and HD 20781 may host undetected giant planets., Comment: replaced to match published version, 20 pages, 11 figures, published in MNRAS, simulation outputs available at https://cheleb.net/astro/sp15/

We present an ultrafast opacity calculator that we name HELIOS-K. It takes a line list as an input, computes the shape of each spectral line and provides an option for grouping an enormous number of lines into a manageable number of bins. We implement a combination of Algorithm 916 and Gauss-Hermite quadrature to compute the Voigt profile, write the code in CUDA and optimise the computation for graphics processing units (GPUs). We restate the theory of the k-distribution method and use it to reduce $\sim 10^5$ to $10^8$ lines to $\sim 10$ to $10^4$ wavenumber bins, which may then be used for radiative transfer, atmospheric retrieval and general circulation models. The choice of line-wing cutoff for the Voigt profile is a significant source of error and affects the value of the computed flux by $\sim 10\%$. This is an outstanding physical (rather than computational) problem, due to our incomplete knowledge of pressure broadening of spectral lines in the far line wings. We emphasize that this problem remains regardless of whether one performs line-by-line calculations or uses the k-distribution method and affects all calculations of exoplanetary atmospheres requiring the use of wavelength-dependent opacities. We elucidate the correlated-k approximation and demonstrate that it applies equally to inhomogeneous atmospheres with a single atomic/molecular species or homogeneous atmospheres with multiple species. Using a NVIDIA K20 GPU, HELIOS-K is capable of computing an opacity function with $\sim 10^5$ spectral lines in $\sim 1$ second and is publicly available as part of the Exoclimes Simulation Platform (ESP; www.exoclime.org)., Comment: Accepted by ApJ. 8 pages, 5 figures

We describe an open source GPU implementation of a hybrid symplectic N-body integrator, GENGA (Gravitational ENcounters with Gpu Acceleration), designed to integrate planet and planetesimal dynamics in the late stage of planet formation and stability analyses of planetary systems. GENGA uses a hybrid symplectic integrator to handle close encounters with very good energy conservation, which is essential in long-term planetary system integration. We extended the second order hybrid integration scheme to higher orders. The GENGA code supports three simulation modes: Integration of up to 2048 massive bodies, integration with up to a million test particles, or parallel integration of a large number of individual planetary systems. We compare the results of GENGA to Mercury and pkdgrav2 in respect of energy conservation and performance, and find that the energy conservation of GENGA is comparable to Mercury and around two orders of magnitude better than pkdgrav2. GENGA runs up to 30 times faster than Mercury and up to eight times faster than pkdgrav2. GENGA is written in CUDA C and runs on all NVIDIA GPUs with compute capability of at least 2.0., Comment: Accepted by ApJ. 18 pages, 17 figures, 4 tables