arXiv subjects

Christiane Helling

Publications and source records attributed to Christiane Helling.

At least 37 records · Page 2Linked to original sources

arXiv2025

Kinetic and photochemical disequilibrium in the potentially carbon-rich atmosphere of the warm-Jupiter WASP-69b

High-resolution transmission spectroscopy of the warm gas-giant WASP-69b has revealed the presence of H2O, CO, CH4, NH3, and C2H2 in its atmosphere. This study investigates the impact of vertical diffusion and photochemistry on its atmospheric composition, with a focus on the detected species plus HCN and CO2, to constrain the atmospheric C/O ratio. We utilize non-equilibrium gas-phase simulations to conduct a parameter study for vertical diffusion strength, local gas temperature, and C/O ratio. Our results indicate that a carbon-rich atmosphere enhances CH4 and C2H2 concentrations, while NH3 undergoes chemical conversion into HCN in carbon-rich, high-temperature environments. Consequently, HCN is abundantly produced in such atmospheres, though its strong spectral features remain undetected in WASP-69b. Photochemical production of HCN and C2H2 is highly sensitive to vertical diffusion strength, with weaker diffusion resulting in higher concentrations. Cross-correlation of synthetic spectra with observed data shows that models with C/O=2 best match observations, but models with C/O=0.55 and 0.9 lead to statistically equivalent fits, leaving the C/O ratio unconstrained. We highlight the importance of accurately modeling NH3 quenching at pressures greater than 100 bars. Models for WASP-69b capped at 100 bars bias cross-correlation fits towards carbon-rich values. We suggest that if the atmosphere of WASP-69b is indeed carbon-rich with a solar metallicity, future observations should reveal the presence of HCN.

astro-ph.EP↗

arXiv2025

The $\texttt{MSG}$ model for cloudy substellar atmospheres: A grid of self-consistent substellar atmosphere models with microphysical cloud formation

State-of-the-art JWST observations are unveiling unprecedented views into the atmospheres of substellar objects in the infrared, further highlighting the importance of clouds. Current forward models struggle to fit the silicate clouds absorption feature at ~$10\,μ$m observed in substellar atmospheres. In the MSG model, we aim to couple the MARCS 1D radiative-convective equilibrium atmosphere model with the 1D kinetic, stationary, non-equilibrium, cloud formation model DRIFT, to create a new grid of self-consistent cloudy substellar atmosphere models with microphysical cloud formation. We aim to test if this new grid is able to reproduce the silicate cloud absorption feature at ~$10\,μ$m. We model substellar atmospheres with effective temperatures in the range 1200-2500 K and with $\log(g)=4.0$. We compute atmospheric structures that self-consistently account for condensate cloud opacities based on microphysical properties. We present an algorithm based on control theory to help converge such self-consistent models. Synthetic atmosphere spectra are computed for each model to explore the observable impact of the cloud microphysics. We additionally explore the impact of choosing different nucleation species (TiO$_2$ or SiO) and the effect of less efficient atmospheric mixing on these spectra. The new MSG cloudy grid using TiO$_2$ nucleation shows spectra which are redder in the near-infrared compared to the currently known population of substellar atmospheres. We find the models with SiO nucleation, and models with reduced mixing efficiency are less red in the near-infrared. The grid is unable to reproduce the silicate features similar to those found in recent JWST observations and Spitzer archival data. We thoroughly discuss further work that may better approximate the impact of convection in cloud-forming regions and steps that may help resolve the silicate cloud feature.

astro-ph.EP↗

arXiv2024

From CO$_2$- to H$_2$O-dominated atmospheres and back -- How mixed outgassing changes the volatile distribution in magma oceans around M dwarf stars

We investigate the impact of CO$_2$ on TRAPPIST-1 e, f and g during the magma ocean stage. These potentially habitable rocky planets are currently the most accessible for astronomical observations. A constraint on the volatile budget during the magma ocean stage is a link to planet formation and also needed to judge their habitability. We perform simulations with 1-100 terrestrial oceans (TO) of H$_2$O with and without CO$_2$ and for albedos 0 and 0.75. The CO$_2$ mass is scaled with initial H$_2$O by a constant factor between 0.1 and 1. The magma ocean state of rocky planets begins with a CO$_2$-dominated atmosphere but can evolve into a H$_2$O dominated state, depending on initial conditions. For less than 10 TO initial H$_2$O, the atmosphere tends to desiccate and the evolution may end with a CO$_2$ dominated atmosphere. Otherwise, the final state is a thick (>1000 bar) H$_2$O-CO$_2$ atmosphere. Complete atmosphere desiccation with less than 10 TO initial H$_2$O can be significantly delayed for TRAPPIST-1e and f, when H$_2$O has to diffuse through a CO$_2$ atmosphere to reach the upper atmosphere, where XUV photolysis occurs. As a consequence of CO$_2$ diffusion-limited water loss, the time of mantle solidification for TRAPPIST-1 e, f, and g can be significantly extended compared to a pure H$_2$O evolution by up to 40 Myrs for albedo 0.75 and by up to 200 Mrys for albedo 0. The addition of CO$_2$ further results in a higher water content in the melt during the magma ocean stage. Our compositional model adjusted for the measured metallicity of TRAPPIST-1 yields for the dry inner planets (b, c, d) an iron fraction of 27 wt-%. For TRAPPIST-1 e, this iron fraction would be compatible with a (partly) desiccated evolution scenario and a CO$_2$ atmosphere with surface pressures of a few 100 bar. A comparative study between TRAPPIST-1 e and the inner planets may yield the most insights about formation and evolution scenarios.

astro-ph.EP↗

arXiv2024

Machine learning-based classification for Single Photon Space Debris Light Curves

The growing number of man-made debris in Earth's orbit poses a threat to active satellite missions due to the risk of collision. Characterizing unknown debris is, therefore, of high interest. Light Curves (LCs) are temporal variations of object brightness and have been shown to contain information such as shape, attitude, and rotational state. Since 2015, the Satellite Laser Ranging (SLR) group of Space Research Institute (IWF) Graz has been building a space debris LC catalogue. The LCs are captured on a Single Photon basis, which sets them apart from CCD-based measurements. In recent years, Machine Learning (ML) models have emerged as a viable technique for analyzing LCs. This work aims to classify Single Photon Space Debris using the ML framework. We have explored LC classification using k-Nearest Neighbour (k-NN), Random Forest (RDF), XGBoost (XGB), and Convolutional Neural Network (CNN) classifiers in order to assess the difference in performance between traditional and deep models. Instead of performing classification on the direct LCs data, we extracted features from the data first using an automated pipeline. We apply our models on three tasks, which are classifying individual objects, objects grouped into families according to origin (e.g., GLONASS satellites), and grouping into general types (e.g., rocket bodies). We successfully classified Space Debris LCs captured on Single Photon basis, obtaining accuracies as high as 90.7%. Further, our experiments show that the classifiers provide better classification accuracy with automated extracted features than other methods.

astro-ph.IM↗

arXiv2024

Under the magnifying glass: A combined 3D model applied to cloudy warm Saturn type exoplanets around M-dwarfs

Warm Saturn type exoplanets orbiting M-dwarfs are particularly suitable for in-depth cloud characterisation through transmission spectroscopy due to their favourable stellar to planetary radius contrast. However, modelling cloud formation consistently within the 3D atmosphere remains computationally challenging. The aim is to explore the combined atmospheric and micro-physical cloud structure, and the kinetic gas-phase chemistry for the warm Saturn HATS0-6b orbiting an M-dwarf. A combined 3D cloudy atmosphere model is constructed by iteratively executing the 3D General Circulation Model (GCM) expeRT/MITgcm and a kinetic cloud formation model, each in its full complexity. Resulting cloud particle number densities, sizes, and compositions are used to derive the local cloud opacity which is then utilised in the next GCM iteration. The disequilibrium H/C/O/N gas-phase chemistry is calculated for each iteration to assess the resulting transmission spectrum in post-processing. The cloud opacity feedback causes a temperature inversion at the sub-stellar point and at the evening terminator at gas pressures higher than 0.01 bar. Furthermore, clouds cool the atmosphere between 0.01 bar and 10 bar, and narrow the equatorial wind jet. The transmission spectrum shows muted gas-phase absorption and a cloud particle silicate feature at approximately 10 micron. The combined atmosphere-cloud model retains the full physical complexity of each component and therefore enables a detailed physical interpretation with JWST NIRSpec and MIRI LRS observational accuracy. The model shows that warm Saturn type exoplanets around M-dwarfs are ideal candidates to search for limb asymmetries in clouds and chemistry, identify cloud particle composition by observing their spectral features, and identify the cloud-induced strong thermal inversion that arises on these planets specifically.

astro-ph.EP↗

arXiv2024

Why heterogeneous cloud particles matter: Iron-bearing species and cloud particle morphology affects exoplanet transmission spectra

The possibility of observing spectral features in exoplanet atmospheres with space missions like JWST and ARIEL necessitates the accurate modelling of cloud particle opacities. In exoplanet atmospheres, cloud particles can be made from multiple materials and be considerably chemically heterogeneous. Therefore, assumptions on the morphology of cloud particles are required to calculate their opacities. The aim of this work is to analyse how different approaches to calculate the opacities of heterogeneous cloud particles affect cloud particle optical properties. We calculate cloud particle optical properties using seven different mixing treatments: four effective medium theories (EMTs: Bruggeman, Landau-Lifshitz-Looyenga (LLL), Maxwell-Garnett, and Linear), core-shell, and two homogeneous cloud particle approximations. We study the mixing behaviour of 21 commonly considered cloud particle materials for exoplanets. To analyse the impact on observations, we study the transmission spectra of HATS-6b, WASP-39b, WASP-76b, and WASP-107b.Materials with large refractive indices, like iron-bearing species or carbon, can change the optical properties of cloud particles when they comprise less than 1\% of the total particle volume. The mixing treatment of heterogeneous cloud particles also has an observable effect on transmission spectroscopy. Assuming core-shell or homogeneous cloud particles results in less muting of molecular features and retains the cloud spectral features of the individual cloud particle materials. The predicted transit depth for core-shell and homogeneous cloud particle materials are similar for all planets used in this work. If EMTs are used, cloud spectral features are broader and cloud spectral features of the individual cloud particle materials are not retained. Using LLL leads to less molecular features in transmission spectra compared to Bruggeman.

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arXiv2024

Inhomogeneous terminators on the exoplanet WASP-39 b

Transmission spectroscopy has been a workhorse technique over the past two decades to constrain the physical and chemical properties of exoplanet atmospheres. One of its classical key assumptions is that the portion of the atmosphere it probes -- the terminator region -- is homogeneous. Several works in the past decade, however, have put this into question for highly irradiated, hot ($T_{eq}\gtrsim 1000$ K) gas giant exoplanets both empirically and via 3-dimensional modelling. While models predict clear differences between the evening (day-to-night) and morning (night-to-day) terminators, direct morning/evening transmission spectra in a wide wavelength range has not been reported for an exoplanet to date. Under the assumption of precise and accurate orbital parameters on WASP-39 b, here we report the detection of inhomogeneous terminators on the exoplanet WASP-39 b, which allows us to retrieve its morning and evening transmission spectra in the near-infrared ($2-5\ μ$m) using JWST. We observe larger transit depths in the evening which are, on average, $405 \pm 88$ ppm larger than the morning ones, also having qualitatively larger features than the morning spectrum. The spectra are best explained by models in which the evening terminator is hotter than the morning terminator by $177^{+65}_{-57}$ K with both terminators having C/O ratios consistent with solar. General circulation models (GCMs) predict temperature differences broadly consistent with the above value and point towards a cloudy morning terminator and a clearer evening terminator.

astro-ph.EP↗

arXiv2024

A grid of self-consistent MSG (MARCS-StaticWeather-GGchem) cool stellar, sub-stellar, and exoplanetary model atmospheres

Computation of a grid of self consistent 1D model atmospheres of cool stars, sub-stellar objects and exoplanets in the effective temperature range 300K to 3000K, including cloud formation, chemical non-equilibrium effects, and stellar irradiation. The models are called MSG, because they are based on an iterative coupling between three well tested codes, the MARCS stellar atmosphere code, the StaticWeather cloud formation code and the GGchem chemical equilibrium code. It includes up-to-date molecular and atomic opacities, cloud formation and advanced chemical equilibrium calculations, and involves new numerical methods at low temperatures to allow robust convergence. The coupling between the MARCS radiative transfer and GGchem chemical equilibrium computations has made it possibly effectively to reach convergence based on electron pressure for the warmer models and gas pressure for the cooler models, enabling self-consistent modelling of stellar, sub-stellar and exoplanetary objects in a very wide range of effective temperatures. Here we describe the basic details of the models, with illustrative examples of cloudy and irradiated models as well as models based on non-equilibrium chemistry. The qualitative changes in the relative abundances of TiO, H2O, CH4, NH3, and other molecules in our models follow the observationally defined M, L, T (and Y) sequences, but reveal more complex and depth dependent abundance changes, and therefore a spectral classification depending on more parameters. The self consistent coupling to Static-Weather cloud computations, allows detailed comparison between nucleation and observed relative dimming of different spectral bands, with advanced applications for new identification methods of potential exoplanetary biology.

astro-ph.EP↗

arXiv2024

Two-Dimensional Eclipse Mapping of the Hot Jupiter WASP-43b with JWST MIRI/LRS

We present eclipse maps of the two-dimensional thermal emission from the dayside of the hot Jupiter WASP-43b, derived from an observation of a phase curve with the JWST MIRI/LRS instrument. The observed eclipse shapes deviate significantly from those expected for a planet emitting uniformly over its surface. We fit a map to this deviation, constructed from spherical harmonics up to order $\ell_{\rm max}=2$, alongside the planetary, orbital, stellar, and systematic parameters. This yields a map with a meridionally-averaged eastward hot-spot shift of $(7.75 \pm 0.36)^{\circ}$, with no significant degeneracy between the map and the additional parameters. We show the latitudinal and longitudinal contributions of the day-side emission structure to the eclipse shape, finding a latitudinal signal of $\sim$200 ppm and a longitudinal signal of $\sim$250 ppm. To investigate the sensitivity of the map to the method, we fix the non-mapping parameters and derive an "eigenmap" fitted with an optimised number of orthogonal phase curves, which yields a similar map to the $\ell_{\rm max}=2$ map. We also fit a map up to $\ell_{\rm max}=3$, which shows a smaller hot-spot shift, with a larger uncertainty. These maps are similar to those produced by atmospheric simulations. We conclude that there is a significant mapping signal which constrains the spherical harmonic components of our model up to $\ell_{\rm max}=2$. Alternative mapping models may derive different structures with smaller-scale features; we suggest that further observations of WASP-43b and other planets will drive the development of more robust methods and more accurate maps.

astro-ph.EP↗

arXiv2024

Habitability constraints by nutrient availability in atmospheres of rocky exoplanets

Life as we know it requires the presence of liquid water and the availability of nutrients, which are mainly based on the elements C, H, N, O, P, and S (CHNOPS) and trace metal micronutrients. We aim to understand the presence of these nutrients within atmospheres that show the presence of water cloud condensates, potentially allowing the existence of aerial biospheres. In this paper we introduce a framework of nutrient availability levels based on the presence of water condensates and the chemical state of the CHNOPS elements. These nutrient availability levels are applied to a set of atmospheric models based on different planetary surface compositions resulting in a range of atmospheric compositions. The atmospheric model is a bottom-to-top equilibrium chemistry atmospheric model which includes the atmosphere-crust interaction and the element depletion due to the formation of clouds. While the reduced forms of CNS are present at the water cloud base for most atmospheric compositions, P and metals are lacking. This indicates the potential bio-availability of CNS, while P and metals are limiting factors for aerial biospheres.

astro-ph.EP↗

arXiv2024

Science Fiction Media Representations of Exoplanets: Portrayals of Changing Astronomical Discoveries

Interest in science fiction's (SF's) potential science communication use is hindered by concerns about SF misrepresenting science. This study addresses these concerns by asking how SF media reflects scientific findings in exoplanet science. A database of SF exoplanets was analysed using a Bayesian network to find interconnected interactions between planetary characterisation features and literary data. Results reveal SF exoplanets designed after the discovery of real exoplanets are less Earth-like, providing statistical evidence that SF incorporates rapidly-evolving science. Understanding SF's portrayal of science is crucial for its potential use in science communication.

physics.pop-ph↗

arXiv2024

The effect of lightning on the atmospheric chemistry of exoplanets and potential biosignatures

Lightning has been suggested to play a role in triggering the occurrence of bio-ready chemical species. Future missions (PLATO, ARIEL, HWO, LIFE) and ground-based ELTs will investigate the atmospheres of potentially habitable exoplanets. We aim to study the effect of lightning on the atmospheric chemistry, how it affects false-positive and false-negative biosignatures, and if its effect would be observable on an exo-Earth and on TRAPPIST-1 planets. We use a combination of laboratory experiments, photochemical and radiative transfer modelling. With spark discharge experiments in N2-CO2-H2 gas mixtures, representing a range of possible rocky-planet atmospheres, we investigate the production of potential lightning signatures (CO, NO), possible biosignature gases (N2O, NH3, CH4), and important prebiotic precursors (HCN, Urea). Photochemical simulations are conducted for oxygen-rich and anoxic atmospheres for rocky planets in the habitable zones of the Sun and TRAPPIST-1 for a range of lightning flash rates. Synthetic spectra are calculated using SMART to study the atmosphere's reflectance, emission, and transmission spectra. Lightning enhances the spectral features of NO, NO2, and, in some cases, CO; CH4 and C2H6 may be enhanced indirectly. Lightning at a flash rate slightly higher than on modern Earth can mask the ozone features of an oxygen-rich, biotic atmosphere, making it harder to detect the biosphere. Lightning flash rates at least ten times higher than on modern Earth can mask the presence of ozone in the anoxic, abiotic atmosphere of a planet orbiting a late M dwarf, reducing the potential for a false-positive life-detection. The threshold lightning rates to eliminate oxygen and ozone false positive biosignatures on planets orbiting ultra-cool dwarfs is up to ten times higher than the modern flash rate, suggesting that lightning cannot always prevent these false-positive scenarios.

astro-ph.EP↗

arXiv2024

The JWST Early Release Science Program for Direct Observations of Exoplanetary Systems V: Do Self-Consistent Atmospheric Models Represent JWST Spectra? A Showcase With VHS 1256 b

The unprecedented medium-resolution (R~1500-3500) near- and mid-infrared (1-18um) spectrum provided by JWST for the young (140+/-20Myr) low-mass (12-20MJup) L-T transition (L7) companion VHS1256b gives access to a catalogue of molecular absorptions. In this study, we present a comprehensive analysis of this dataset utilizing a forward modelling approach, applying our Bayesian framework, ForMoSA. We explore five distinct atmospheric models to assess their performance in estimating key atmospheric parameters: Teff, log(g), [M/H], C/O, gamma, fsed, and R. Our findings reveal that each parameter's estimate is significantly influenced by factors such as the wavelength range considered and the model chosen for the fit. This is attributed to systematic errors in the models and their challenges in accurately replicating the complex atmospheric structure of VHS1256b, notably the complexity of its clouds and dust distribution. To propagate the impact of these systematic uncertainties on our atmospheric property estimates, we introduce innovative fitting methodologies based on independent fits performed on different spectral windows. We finally derived a Teff consistent with the spectral type of the target, considering its young age, which is confirmed by our estimate of log(g). Despite the exceptional data quality, attaining robust estimates for chemical abundances [M/H] and C/O, often employed as indicators of formation history, remains challenging. Nevertheless, the pioneering case of JWST's data for VHS1256b has paved the way for future acquisitions of substellar spectra that will be systematically analyzed to directly compare the properties of these objects and correct the systematics in the models.

astro-ph.EP↗

arXiv2024

Discovery of two warm mini-Neptunes with contrasting densities orbiting the young K3V star TOI-815

We present the discovery and characterization of two warm mini-Neptunes transiting the K3V star TOI-815 in a K-M binary system. Analysis of the spectra and rotation period reveal it to be a young star with an age of $200^{+400}_{-200}$Myr. TOI-815b has a 11.2-day period and a radius of 2.94$\pm$0.05$\it{R_{\rm\mathrm{\oplus}}}$ with transits observed by TESS, CHEOPS, ASTEP, and LCOGT. The outer planet, TOI-815c, has a radius of 2.62$\pm$0.10$\it{R_{\rm\mathrm{\oplus}}}$, based on observations of three non-consecutive transits with TESS, while targeted CHEOPS photometry and radial velocity follow-up with ESPRESSO were required to confirm the 35-day period. ESPRESSO confirmed the planetary nature of both planets and measured masses of 7.6$\pm$1.5 $\it{M_{\rm \mathrm{\oplus}}}$ ($ρ_\mathrm{P}$=1.64$^{+0.33}_{-0.31}$gcm$^{-3}$) and 23.5$\pm$2.4$\it{M_{\rm\mathrm{\oplus}}}$ ($ρ_\mathrm{P}$=7.2$^{+1.1}_{-1.0}$gcm$^{-3}$) respectively. Thus, the planets have very different masses, unlike the usual similarity of masses in compact multi-planet systems. Moreover, our statistical analysis of mini-Neptunes orbiting FGK stars suggests that weakly irradiated planets tend to have higher bulk densities compared to those suffering strong irradiation. This could be ascribed to their cooler atmospheres, which are more compressed and denser. Internal structure modeling of TOI-815b suggests it likely has a H-He atmosphere constituting a few percent of the total planet mass, or higher if the planet is assumed to have no water. In contrast, the measured mass and radius of TOI-815c can be explained without invoking any atmosphere, challenging planetary formation theories. Finally, we infer from our measurements that the star is viewed close to pole-on, which implies a spin-orbit misalignment at the 3$σ$ level.

astro-ph.EP↗

arXiv2024

Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b

Hot Jupiters are among the best-studied exoplanets, but it is still poorly understood how their chemical composition and cloud properties vary with longitude. Theoretical models predict that clouds may condense on the nightside and that molecular abundances can be driven out of equilibrium by zonal winds. Here we report a phase-resolved emission spectrum of the hot Jupiter WASP-43b measured from 5-12 $μ$m with JWST's Mid-Infrared Instrument (MIRI). The spectra reveal a large day-night temperature contrast (with average brightness temperatures of 1524$\pm$35 and 863$\pm$23 Kelvin, respectively) and evidence for water absorption at all orbital phases. Comparisons with three-dimensional atmospheric models show that both the phase curve shape and emission spectra strongly suggest the presence of nightside clouds which become optically thick to thermal emission at pressures greater than ~100 mbar. The dayside is consistent with a cloudless atmosphere above the mid-infrared photosphere. Contrary to expectations from equilibrium chemistry but consistent with disequilibrium kinetics models, methane is not detected on the nightside (2$σ$ upper limit of 1-6 parts per million, depending on model assumptions).

astro-ph.EP↗

arXiv2024

On the likely magnesium-iron silicate dusty tails of catastrophically evaporating rocky planets

Catastrophically evaporating rocky planets provide a unique opportunity to study the composition of small planets. The surface composition of these planets can be constrained via modelling their comet-like tails of dust. In this work, we present a new self-consistent model of the dusty tails: we physically model the trajectory of the dust grains after they have left the gaseous outflow, including an on-the-fly calculation of the dust cloud's optical depth. We model two catastrophically evaporating planets: KIC 1255b and K2-22b. For both planets, we find the dust is likely composed of magnesium-iron silicates (olivine and pyroxene), consistent with an Earth-like composition. We constrain the initial dust grain sizes to be $\sim$ 1.25-1.75 $μ$m and the average (dusty) planetary mass-loss rate to be $\sim$ 3$M_\oplus \mathrm{Gyr^{-1}}$. Our model shows the origin of the leading tail of dust of K2-22b is likely a combination of the geometry of the outflow and a low radiation pressure force to stellar gravitational force ratio. We find the optical depth of the dust cloud to be a factor of a few in the vicinity of the planet. Our composition constraint supports the recently suggested idea that the dusty outflows of these planets go through a greenhouse effect-nuclear winter cycle, which gives origin to the observed transit depth time variability. Magnesium-iron silicates have the necessary visible-to-infrared opacity ratio to give origin to this cycle in the high mass-loss state.

astro-ph.EP↗

arXiv2024

Aggregation and charging of mineral cloud particles under high-energy irradiation

It is known from Earth that ionizing high-energy radiation can lead to ion-induced nucleation of cloud condensation nuclei in the atmosphere. Since the amount of high-energy radiation can vary greatly based on the radiative environment of a host star, understanding the effect of high-energy radiation on cloud particles is critical to understand exoplanet atmospheres. This study aims to explore how high-energy radiation affects the aggregation and charging of mineral cloud particles. We present experiments conducted in an atmosphere chamber on mineral SiO$_2$ particles with diameters of 50 nm. The particles were exposed to gamma radiation in either low-humidity (RH $\approx$ 20%) or high-humidity (RH $>$ 50%) environments. The aggregation and charging state of the particles were studied with a Scanning Mobility Particle Sizer. We find that the single SiO$_2$ particles (N1) cluster to form larger aggregates (N2 - N4), and that this aggregation is inhibited by gamma radiation. We find that gamma radiation shifts the charging of the particles to become more negative, by increasing the charging state of negatively charged particles. Through an independent T-test we find that this increase is statistically significant within a 5% significance level for all aggregates in the high-humidity environment, and for all except the N1 particles in the low-humidity environment. For the positively charged particles the changes in charging state are not within the 5% significance level. We suggest that the overall effect of gamma radiation could favor the formation of a high number of small particles over a lower number of larger particles.

astro-ph.EP↗

arXiv2024

Vanadium oxide clusters in substellar atmospheres: A quantum chemical study

We aim to understand the formation of cloud condensation nuclei in oxygen-rich substellar atmospheres by calculating fundamental properties of the energetically most favorable vanadium oxide molecules and clusters. A hierarchical optimization approach is applied in order to find the most favorable structures for clusters of (VO)$_{N}$ and (VO$_2$)$_{N}$ for N=1-10, and (V$_2$O$_5$)$_{N}$ for N=1-4 and to calculate their thermodynamical potentials. The candidate geometries are initially optimized applying classical interatomic potentials and then refined at the B3LYP/cc-pVTZ level of theory to obtain accurate zero-point energies and thermochemical quantities. We present previously unreported vanadium oxide cluster structures as lowest-energy isomers. We report revised cluster energies and their thermochemical properties. Chemical equilibrium calculations are used to asses the impact of the updated and newly derived thermodynamic potentials on the gas-phase abundances of vanadium-bearing species. In chemical equilibrium, larger clusters from different stoichiometric families are found to be the most abundant vanadium-bearing species for temperatures below ~1000 K, while molecular VO is the most abundant between ~1000 K and ~2000 K. We determine the nucleation rates of each stoichiometric family for a given (T$_{gas}$, p$_{gas}$) profile of a brown dwarf using classical and non-classical nucleation theory. Small differences in the revised Gibbs free energies of the clusters have a large impact on the abundances of vanadium bearing species in chemical equilibrium at temperatures below ~1000 K, which subsequently has an impact on the nucleation rates of each stoichiometric family. We find that with the revised and more accurate cluster data non-classical nucleation rates are up to 15 orders of magnitude higher than classical nucleation rates.

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