arXiv subjects

E. K. H. Lee

Publications and source records attributed to E. K. H. Lee.

12 recordsLinked to original sources

arXiv2026

Benchmarking Two Chemical Networks used in General Circulation Models of Hot Jupiters

Chemical kinetics is becoming an increasingly vital component of hot Jupiter general circulation models (GCMs). Here we simulate the hot Jupiter WASP-96b using two chemical networks, a reduced chemical network frequently used in the GCM literature (which we refer to as V19) and a more recent effective network making use of tables of net reactions (MiniCHEM), coupled to the same GCM in order to provide a robust benchmark. We find a numerical escape criterion used by the Unified Model chemical kinetics solver to stop integration for the duration of the chemical timestep, independent of the chemical network, results in artificial quenching, overestimating of HCN, CH$_4$, and NH$_3$ abundances by factors of 1.5 to 3. With this criterion disabled, agreement between the two networks is improved, except for HCN and NH$_3$, where different reaction rates and included species results in lower abundances in the V19 network. While many rates differ between the networks, the lower quenched NH$_3$ abundances in the V19 simulations are, in particular, due to the choice of NH$_2$ + NH$_3$ $\rightarrow$ N$_2$H$_3$ + H$_2$ reaction rate, which is poorly constrained in the literature. This reaction also impacts the quenching of HCN, which is additionally affected by the lack of CH$_2$NH$_2$ in the V19 network. While there are reasons to favour the MiniCHEM HCN and NH$_3$ abundances, ultimately, improved experimental and theoretical determination of reaction rates are needed to address the uncertainties and better characterize the quenching behaviour.

astro-ph.EP↗

arXiv2026

Dynamics of Y Dwarf Atmospheres

The global circulation regime of the coolest brown dwarfs, the Y dwarfs, remains largely unexplored. We investigate the interplay between convection, rotation, and cloud thermal feedback using a selected sample of Y dwarf atmospheric models. We explore effective temperatures $400~\mathrm{K} \leq T_{\mathrm{eff}} \leq 600~\mathrm{K}$ and rotation periods $P_{\mathrm{rot}} = 2.5 \text{--} 20\ \mathrm{h}$, where salt and sulfide condensates are expected. We include $\mathrm{KCl,~Na_{2}S}$, and $\mathrm{MnS}$ clouds to assess their atmospheric impact and identify circulation regimes across parameter space. We run twelve general circulation models (GCMs) spanning this grid and develop additional physics modules for the THOR GCM to model brown dwarf atmospheres. The dynamical core is coupled to interior thermal perturbations near the radiative-convective boundary, a mixing-length convection scheme, gray two-stream radiative transfer with Rosseland-mean opacities, and simple cloud tracers including thermal feedback and scattering. All simulations exhibit a radiative-forcing-dominated regime with weak winds, minimal horizontal temperature contrasts, and no persistent jets. Convection controls vertical mixing and sets the extent of salt and sulfide cloud layers below the photosphere. Thermal structures equilibrate quickly and cloud radiative feedback remains insignificant, with limited variability. Within the gray radiative transfer framework adopted here, Y dwarf atmospheres in this parameter space are controlled by interior thermal radiation. Rotation sets modest variability, while clouds play a secondary role. Because our single-band approach does not capture spectral windows that could probe deeper cloud layers, our constraints on cloud radiative feedback are likely conservative, and we outline pathways toward more active regimes.

astro-ph.SR↗

arXiv2025

Time Resolved Absorption of Six Chemical Species With MAROON-X Points to Strong Drag in the Ultra Hot Jupiter TOI-1518 b

Wind dynamics play a pivotal role in governing transport processes within planetary atmospheres, influencing atmospheric chemistry, cloud formation, and the overall energy budget. Understanding the strength and patterns of winds is crucial for comprehensive insights into the physics of ultra-hot Jupiter atmospheres. This study focuses on unraveling the wind dynamics and the chemical composition in the atmosphere of the ultra-hot Jupiter TOI-1518 b. Two transit observations using the high-resolution (Rλ = 85 000), optical (spectral coverage between 490 and 920 nm) spectrograph MAROON-X were obtained and analyzed to explore the chemical composition and wind dynamics using the cross-correlation techniques, global circulating models, and atmospheric retrieval. We report the detection of 14 species in the atmosphere of TOI-1518 b through cross-correlation analysis. Additionally, we measure the time-varying cross-correlation trails for 6 different species, compare them with predictions from General Circulation Models (GCM) and conclude that a strong drag is present in TOI-1518b's atmosphere. We find that the trails are species-dependent. Fe+ favors a stronger drag than Fe, which we interpret as a sign of magnetic effects being responsible for the observed strong drag. Furthermore, we show that Ca+ probes layers above the Roche lobe, leading to a qualitatively different trail than the other species. Finally, we use a retrieval analysis to characterize the abundance of the different species detected. That analysis is refined thanks to the updated planetary mass we derived from the radial-velocity detection using SOPHIE data. We measure an abundance of iron corresponding to 0.07 to 1.62 solar enrichment. The retrievals appear to be biased for the other elements, probably due to the different Kp/Vsys shifts between iron and the other elements, which we demonstrate in the case of VO.

astro-ph.EP↗

arXiv2024

An atlas of resolved spectral features in the transmission spectrum of WASP-189 b with MAROON-X

Exoplanets in the ultra-hot Jupiter regime provide an excellent laboratory for testing the impact of stellar irradiation on the dynamics and chemical composition of gas giant atmospheres. In this study, we observed two transits of the ultra-hot Jupiter WASP-189 b with MAROON-X/Gemini-North to probe its high-altitude atmospheric layers, using strong absorption lines. We derived posterior probability distributions for the planetary and stellar parameters by calculating the stellar spectrum behind the planet at every orbital phase during the transit. This was used to correct the Rossiter-McLaughlin imprint on the transmission spectra. Using differential transmission spectroscopy, we detect strong absorption lines of Ca+, Ba+, Na, H$α$, Mg, Fe, and Fe+, providing an unprecedented and detailed view of the atmospheric chemical composition. Ca+ absorption is particularly well suited for analysis through time-resolved narrow-band spectroscopy, owing to its transition lines formed in high-altitude layers. The spectral absorption lines show no significant blueshifts that would indicate high-altitude day-to-night winds, and further analysis is needed to investigate the implications for atmospheric dynamics. These high signal-to-noise observations provide a benchmark data set for testing high-resolution retrievals and the assumptions of atmospheric models. We also simulate observations of WASP-189 b with ANDES/ELT, and show that ANDES will be highly sensitive to the individual absorption lines of a myriad of elements and molecules, including TiO and CO.

astro-ph.EP↗

arXiv2024

The Mantis Network IV: A titanium cold-trap on the ultra-hot Jupiter WASP-121 b

Observations of WASP-121 b have suggested an under-abundance of titanium and titanium-oxide from its terminator region. In this study, we aim to determine whether this depletion is global by investigating the day-side emission spectrum. We analyse 8 epochs of high-resolution spectra obtained with ESPRESSO, targeting orbital phases when the day-side is in view. We use a cross-correlation method to search for various atoms, TiO and VO and compare to models. We constrain the velocities and phase-function of the emission signal using a Bayesian framework. We report significant detections of Ca I, V I, Cr I, Mn I, Fe I, Co I and Ni I, but not T i or TiO. Models containing Ti are unable to reproduce the data. The detected signals are consistent with the known orbital and systemic velocities and with peak emission originating from the sub-stellar point. We find that Ti is depleted from regions of the atmosphere where transmission and emission spectroscopy are sensitive. We interpret this as evidence for the night-side condensation of titanium, preventing it from being mixed back into the upper layers of the atmosphere elsewhere on the planet. Species with lower condensation temperatures are unaffected, implying sharp chemical transitions exist between ultra-hot Jupiters that have slight differences in temperature or dynamical properties. As TiO can act as a strong source of stratospheric heating, cold-trapping creates a coupling between the thermal structures on the day-side and night-side, and thus condensation chemistry needs to be included in global circulation models. Observed elemental abundances in hot Jupiters are not reliably representative of bulk abundances unless night-side condensation is accounted for or the planet is hot enough to avoid night-side cold-traps entirely. Planetary rotation may significantly lower the apparent orbital velocity of emission signals.

astro-ph.EP↗

arXiv2018

Exonephology: Transmission spectra from a 3D simulated cloudy atmosphere of HD209458b

We present high resolution transmission spectra, calculated directly from a 3D radiative-hydrodynamics simulation that includes kinetic cloud formation, for HD209458b. We find that the high opacity of our vertically extensive cloud deck, composed of a large number density of sub-micron particles, flattens the transmission spectrum and obscures spectral features identified in observed data. We use the PandExo simulator to explore features of our HD209458b spectrum which may be detectable with the James Webb Space Telescope (JWST). We determine that an 8 - 12 micron absorption feature attributed to the mixed-composition, predominantly silicate cloud particles is a viable marker for the presence of cloud. Further calculations explore, and trends are identified with, variations in cloud opacity, composition heterogeneity and artificially scaled gravitational settling on the transmission spectrum. Principally, by varying the upper extent of our cloud decks, rainout is identified to be a key process for the dynamical atmospheres of hot-Jupiters and shown to dramatically alter the resulting spectrum. Our synthetic transmission spectra, obtained from the most complete, forward atmosphere simulations to--date, allow us to explore the model's ability to conform with observations. Such comparisons can provide insight into the physical processes either missing, or requiring improvement.

astro-ph.EP↗

arXiv2016

Dust in brown dwarfs and extra-solar planets V. Cloud formation in carbon- and oxygen-rich environment

Recent observations indicate potentially carbon-rich exoplanet atmospheres. Spectral fitting methods for brown dwarfs and exoplanets have invoked the C/O ratio as additional parameter but carbon-rich cloud formation modeling is a challenge for the models applied. The determination of the habitable zone for exoplanets requires the treatment of cloud formation in chemically different regimes. Disk models show that carbon-rich or near-carbon-rich niches may emerge and cool carbon planets may trace these particular stages of planetary evolution. We extend our kinetic cloud formation model by including carbon seed formation and the formation of C[s], TiC[s], SiC[s], KCl[s], and MgS[s] by gas-surface reactions. The seed formation efficiency is lower in carbon-rich atmospheres than in oxygen-rich gases due to carbon being a very effective growth species. The consequence is that less particles will make up a cloud for C/O_0>1. The cloud particles will be smaller in size than in an oxygen-rich atmosphere. An increasing initial C/O ratio does not revert this trend because a much greater abundance of condensible gas species exists in a rich carbon environment. Cloud particles are generally made of a mix of materials: carbon dominates if C/O_0>1 and silicates dominate if C/O_0<1. 80-90% carbon is reached only in extreme cases where C/O_0=3.0 or 10.0. Carbon-rich atmospheres would form clouds that are made of particles of height-dependent mixed compositions, sizes and numbers. The remaining gas-phase is far less depleted than in an oxygen-rich atmosphere. Typical tracer molecules are HCN and C2H2 in combination with a featureless, smooth continuum due to a carbonaceous cloud cover, unless the cloud particles become crystalline.

astro-ph.SR↗

arXiv2016

Dynamic mineral clouds on HD 189733b I. 3D RHD with kinetic, non-equilibrium cloud formation

Observations of exoplanet atmospheres have revealed the presence of cloud particles in their atmospheres. 3D modelling of cloud formation in atmospheres of extrasolar planets coupled to the atmospheric dynamics has long been a challenge. We investigate the thermo-hydrodynamic properties of cloud formation processes in the atmospheres of hot Jupiter exoplanets. We simulate the dynamic atmosphere of HD 189733b with a 3D model that couples 3D radiative-hydrodynamics with a kinetic, microphysical mineral cloud formation module designed for RHD/GCM exoplanet atmosphere simulations. Our simulation includes the feedback effects of cloud advection and settling, gas phase element advection and depletion/replenishment and the radiative effects of cloud opacity. We model the cloud particles as a mix of mineral materials which change in size and composition as they travel through atmospheric thermo-chemical environments. All local cloud properties such as number density, grain size and material composition are time-dependently calculated. Gas phase element depletion as a result of cloud formation is included in the model. In-situ \textit{effective medium theory} and Mie theory is applied to calculate the wavelength dependent opacity of the cloud component. We present a 3D cloud structure of a chemically complex, gaseous atmosphere of the hot Jupiter HD 189733b. Mean cloud particle sizes are typically sub-micron (0.01-0.5 $μ$m) at pressures less than 1 bar with hotter equatorial regions containing the smallest grains. Denser cloud structures occur near terminator regions and deeper ($\sim$ 1 bar) atmospheric layers. Silicate materials such as MgSiO$_{3}$[s] are found to be abundant at mid-high latitudes, while TiO$_{2}$[s] and SiO$_{2}$[s] dominate the equatorial regions.

astro-ph.EP↗

arXiv2015

X-ray scattering study of pyrochlore iridates: crystal structure, electronic and magnetic excitations

We have investigated the structural, electronic, and magnetic properties of the pyrochlore iridates Eu2Ir2O7 and Pr2Ir2O7 using a combination of resonant elastic x-ray scattering, x-ray powder diffraction, and resonant inelastic x-ray scattering (RIXS). The structural parameters of Eu2Ir2O7 have been examined as a function of temperature and applied pressure, with a particular emphasis on regions of the phase diagram where electronic and magnetic phase transitions have been reported. We find no evidence of crystal symmetry change over the range of temperatures (~6 to 300 K) and pressures (~0.1 to 17 GPa) studied. We have also investigated the electronic and magnetic excitations in single crystal samples of Eu2Ir2O7 and Pr2Ir2O7 using high resolution Ir L3-edge RIXS. In spite of very different ground state properties, we find these materials exhibit qualitatively similar excitation spectra, with crystal field excitations at ~3-5 eV, spin-orbit excitations at ~0.5-1 eV, and broad low-lying excitations below ~0.15 eV. In Eu2Ir2O7 we observe highly damped magnetic excitations at ~45 meV, which display significant momentum dependence. We compare these results with recent dynamical structure factor calculations.

cond-mat.str-el↗

arXiv2015

Understanding the water emission in the mid- and far-IR from protoplanetary disks around T~Tauri stars

We investigate which properties of protoplanetary disks around T Tauri stars affect the physics and chemistry in the regions where mid- and far-IR water lines originate and their respective line fluxes. We search for diagnostics for future observations. With the code ProDiMo, we build a series of models exploring a large parameter space, computing rotational and rovibrational transitions of water in nonlocal thermodynamic equilibrium (non-LTE). We select a sample of transitions in the mid- IR regime and the fundamental ortho and para water transitions in the far-IR. We investigate the chemistry and the local physical conditions in the line emitting regions. We calculate Spitzer spectra for each model and compare far-IR and mid-IR lines. In addition, we use mid-IR colors to tie the water line predictions to the dust continuum. Parameters affecting the water line fluxes in disks by more than a factor of three are : the disk gas mass, the dust-to-gas mass ratio, the dust maximum grain size, ISM(InterStellarMedium) UV radiation field, the mixing parameter of Dubrulle settling, the disk flaring parameter, and the dust size distribution. The first four parameters affect the mid-IR lines much more than the far-IR lines. A key driver behind water spectroscopy is the dust opacity, which sets the location of the water line emitting region. We identify three types of parameters. Parameters, such as dust-to-gas ratio, ISM radiation field, and dust size distribution, affect the mid-IR lines more, while the far-IR transitions are more affected by the flaring index. The gas mass greatly affects lines in both regimes. Higher spectral resolution and line sensitivities, like from the James Webb Space Telescope, are needed to detect a statistically relevant sample of individual water lines to distinguish further between these types of parameters.

astro-ph.SR↗

arXiv2015

Modelling the local and global cloud formation on HD 189733b

Context. Observations suggest that exoplanets such as HD 189733b form clouds in their atmospheres which have a strong feedback onto their thermodynamical and chemical structure, and overall appearance. Aims. Inspired by mineral cloud modelling efforts for Brown Dwarf atmospheres, we present the first spatially varying kinetic cloud model structures for HD 189733b. Methods. We apply a 2-model approach using results from a 3D global radiation-hydrodynamic simulation of the atmosphere as input for a detailed, kinetic cloud formation model. Sampling the 3D global atmosphere structure with 1D trajectories allows us to model the spatially varying cloud structure on HD 189733b. The resulting cloud properties enable the calculation of the scattering and absorption properties of the clouds. Results. We present local and global cloud structure and property maps for HD 189733b. The calculated cloud properties show variations in composition, size and number density of cloud particles which are strongest between the dayside and nightside. Cloud particles are mainly composed of a mix of materials with silicates being the main component. Cloud properties, and hence the local gas composition, change dramatically where temperature inversions occur locally. The cloud opacity is dominated by absorption in the upper atmosphere and scattering at higher pressures in the model. The calculated 8μm single scattering Albedo of the cloud particles are consistent with Spitzer bright regions. The cloud particles scattering properties suggest that they would sparkle/reflect a midnight blue colour at optical wavelengths.

astro-ph.EP↗

arXiv2014

Dust in brown dwarfs and extra-solar planets IV. Assessing TiO2 and SiO nucleation for cloud formation modeling

Clouds form in atmospheres of brown dwarfs and planets. The cloud particle formation processes are similar to the dust formation process studied in circumstellar shells of AGB stars and in Supernovae. Cloud formation modelling in substellar objects requires gravitational settling and element replenishment in addition to element depletion. All processes depend on the local conditions, and a simultaneous treatment is required. We apply new material data in order to assess our cloud formation model results regarding the treatment of the formation of condensation seeds. We re-address the question of the primary nucleation species in view of new (TiO2)_N-cluster data and new SiO vapour pressure data. We apply the density functional theory using the computational chemistry package Gaussian 09 to derive updated thermodynamical data for (TiO2)_N-clusters as input for our TiO2 seed formation model. We test different nucleation treatments and their effect on the overall cloud structure by solving a system of dust moment equations and element conservation or a pre-scribed Drift-Phoenix atmosphere structure. Updated Gibbs free energies for the (TiO2)_N-clusters are presented, and a slightly temperature dependent surface tension for T=500 ... 2000K with an average value of sigma_infty = 480.6 erg 1/cm2. The TiO2-seed formation rate changes only slightly with the updated cluster data. A considerably larger effect on the rate of seed formation, and hence on grain size and dust number density, results from a switch to SiO-nucleation. Despite the higher abundance of SiO over TiO2 in the gas phase, TiO2 remains considerably more efficient in forming condensation seeds by homogeneous nucleation followed by heterogeneous grain growth. The paper discussed the effect on the cloud structure in more detail.

astro-ph.SR↗