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Clara Sousa-Silva

Publications and source records attributed to Clara Sousa-Silva.

36 records · Page 2Linked to original sources
arXiv2020

Detectability of biosignatures on LHS 1140 b

Terrestrial extrasolar planets around low-mass stars are prime targets when searching for atmospheric biosignatures with current and near-future telescopes. The habitable-zone Super-Earth LHS 1140 b could hold a hydrogen-dominated atmosphere and is an excellent candidate for detecting atmospheric features. In this study, we investigate how the instellation and planetary parameters influence the atmospheric climate, chemistry, and spectral appearance of LHS 1140 b. We study the detectability of selected molecules, in particular potential biosignatures, with the upcoming James Webb Space Telescope (JWST) and Extremely Large Telescope (ELT). In a first step we use the coupled climate-chemistry model, 1D-TERRA, to simulate a range of assumed atmospheric chemical compositions dominated by H$_2$ and CO$_2$. Further, we vary the concentrations of CH$_4$ by several orders of magnitude. In a second step we calculate transmission spectra of the simulated atmospheres and compare them to recent transit observations. Finally, we determine the observation time required to detect spectral bands with low resolution spectroscopy using JWST and the cross-correlation technique using ELT. In H$_2$-dominated and CH$_4$-rich atmospheres O$_2$ has strong chemical sinks, leading to low concentrations of O$_2$ and O$_3$. The potential biosignatures NH$_3$, PH$_3$, CH$_3$Cl and N$_2$O are less sensitive to the concentration of H$_2$, CO$_2$ and CH$_4$ in the atmosphere. In the simulated H$_2$-dominated atmosphere the detection of these gases might be feasible within 20 to 100 observation hours with ELT or JWST, when assuming weak extinction by hazes. If further observations of LHS 1140 b suggest a thin, clear, hydrogen-dominated atmosphere, the planet would be one of the best known targets to detect biosignature gases in the atmosphere of a habitable-zone rocky exoplanet with upcoming telescopes.

astro-ph.EP↗
arXiv2020

On the Robustness of Phosphine Signatures in Venus' Clouds

We published spectra of phosphine molecules in Venus' clouds, following open-science principles in releasing data and scripts (with community input leading to ALMA re-processing, now benefiting multiple projects). Some misconceptions about de-trending of spectral baselines have also emerged, which we address here. Using the JCMT PH3-discovery data, we show that mathematically-correct polynomial fitting of periodic ripples does not lead to "fake lines" (probability < ~1%). We then show that the ripples can be characterised in a non-subjective manner via Fourier transforms. A 20 ppb PH3 feature is ~5σ compared to the JCMT baseline-uncertainty, and is distinctive as a narrow perturber of the periodic ripple pattern. The structure of the FT-derived baseline also shows that polynomial fitting, if unguided, can amplify artefacts and so artificially reduce significance of real lines.

astro-ph.EP↗
arXiv2020

Re-analysis of Phosphine in Venus' Clouds

We first respond to two points raised by Villanueva et al. We show the JCMT discovery spectrum of PH3 can not be re-attributed to SO2, as the line width is larger than observed for SO2 features, and the required abundance would be an extreme outlier. The JCMT spectrum is also consistent with our simple model, constant PH3-abundance with altitude, with no discrepancy in line profile (within data limits); reconciliation with a full photochemical model is the subject of future work. Section 2 presents initial results from re-processed ALMA data. Villanueva et al. noted an issue with bandpass calibration. They have worked on a partially re-processed subset of the ALMA data, so we note where their conclusions, and those of Greaves et al., are now superseded. To summarise: we recover PH3 in Venus' atmosphere with ALMA (~5σ confidence). Localised abundance appears to peak at ~5-10 parts-per-billion (ppb), with suggestions of spatial variation. Advanced data-products suggest a planet-averaged PH3 abundance ~1-4 ppb, lower than from the earlier ALMA processing (which indicated 7+ ppb). The ALMA data are reconcilable with the JCMT detection (~20 ppb) if there is order-of-magnitude temporal variation; more advanced processing of the JCMT data is underway to check methods. Independent PH3 measurements suggest possible altitude dependence (under ~5 ppb at 60+ km, up to ~100 ppb at 50+ km; see Section 2: Conclusions.). Given that both ALMA and JCMT were working at the limit of observatory capabilities, new spectra should be obtained. The ALMA data in-hand are no longer limited by calibration, but spectral ripples still exist, probably due to size and brightness of Venus in relation to the primary beam. Further, spatial ripples are present, potentially reducing significance of real narrow spectral features.

astro-ph.EP↗
arXiv2020

Phosphine Gas in the Cloud Decks of Venus

Measurements of trace-gases in planetary atmospheres help us explore chemical conditions different to those on Earth. Our nearest neighbor, Venus, has cloud decks that are temperate but hyper-acidic. We report the apparent presence of phosphine (PH3) gas in Venusian atmosphere, where any phosphorus should be in oxidized forms. Single-line millimeter-waveband spectral detections (quality up to ~15 sigma) from the JCMT and ALMA telescopes have no other plausible identification. Atmospheric PH3 at ~20 parts-per-billion abundance is inferred. The presence of phosphine is unexplained after exhaustive study of steady-state chemistry and photochemical pathways, with no currently-known abiotic production routes in Venusian atmosphere, clouds, surface and subsurface, or from lightning, volcanic or meteoritic delivery. Phosphine could originate from unknown photochemistry or geochemistry, or, by analogy with biological production of phosphine on Earth, from the presence of life. Other PH3 spectral features should be sought, while in-situ cloud and surface sampling could examine sources of this gas.

astro-ph.EP↗
arXiv2020

Exocomets from a Solar System Perspective

Exocomets are small bodies releasing gas and dust which orbit stars other than the Sun. Their existence was first inferred from the detection of variable absorption features in stellar spectra in the late 1980s using spectroscopy. More recently, they have been detected through photometric transits from space, and through far-IR/mm gas emission within debris disks. As (exo)comets are considered to contain the most pristine material accessible in stellar systems, they hold the potential to give us information about early stage formation and evolution conditions of extra Solar Systems. In the Solar System, comets carry the physical and chemical memory of the protoplanetary disk environment where they formed, providing relevant information on processes in the primordial solar nebula. The aim of this paper is to compare essential compositional properties between Solar System comets and exocomets. The paper aims to highlight commonalities and to discuss differences which may aid the communication between the involved research communities and perhaps also avoid misconceptions. Exocomets likely vary in their composition depending on their formation environment like Solar System comets do, and since exocomets are not resolved spatially, they pose a challenge when comparing them to high fidelity observations of Solar System comets. Observations of gas around main sequence stars, spectroscopic observations of "polluted" white dwarf atmospheres and spectroscopic observations of transiting exocomets suggest that exocomets may show compositional similarities with Solar System comets. The recent interstellar visitor 2I/Borisov showed gas, dust and nuclear properties similar to that of Solar System comets. This raises the tantalising prospect that observations of interstellar comets may help bridge the fields of exocomet and Solar System comets.

astro-ph.EP↗
arXiv2020

Photochemistry of Anoxic Abiotic Habitable Planet Atmospheres: Impact of New H$_2$O Cross-Sections

We present a study of the photochemistry of abiotic habitable planets with anoxic CO$_2$-N$_2$ atmospheres. Such worlds are representative of early Earth, Mars and Venus, and analogous exoplanets. H$_2$O photodissociation controls the atmospheric photochemistry of these worlds through production of reactive OH, which dominates the removal of atmospheric trace gases. The near-UV (NUV; $>200$ nm) absorption cross-sections of H$_2$O play an outsized role in OH production; these cross-sections were heretofore unmeasured at habitable temperatures ($<373$ K). We present the first measurements of NUV H$_2$O absorption at $292$ K, and show it to absorb orders of magnitude more than previously assumed. To explore the implications of these new cross-sections, we employ a photochemical model; we first intercompare it with two others and resolve past literature disagreement. The enhanced OH production due to these higher cross-sections leads to efficient recombination of CO and O$_2$, suppressing both by orders of magnitude relative to past predictions and eliminating the low-outgassing "false positive" scenario for O$_2$ as a biosignature around solar-type stars. Enhanced [OH] increases rainout of reductants to the surface, relevant to prebiotic chemistry, and may also suppress CH$_4$ and H$_2$; the latter depends on whether burial of reductants is inhibited on the underlying planet, as is argued for abiotic worlds. While we focus on CO$_2$-rich worlds, our results are relevant to anoxic planets in general. Overall, our work advances the state-of-the-art of photochemical models by providing crucial new H$_2$O cross-sections and resolving past disagreement in the literature, and suggests that detection of spectrally active trace gases like CO in rocky exoplanet atmospheres may be more challenging than previously considered.

astro-ph.EP↗
arXiv2019

Molecular Simulations for the Spectroscopic Detection of Atmospheric Gases

Unambiguously identifying molecules in spectra is of fundamental importance for a variety of scientific and industrial uses. Interpreting atmospheric spectra for the remote detection of volatile compounds requires information about the spectrum of each relevant molecule. However, spectral data currently exist for a few hundred molecules and only a fraction of those have complete spectra (e.g. H$_2$O, NH$_3$). Consequently, molecular detections in atmospheric spectra remain vulnerable to false positives, false negatives, and missassignments. There is a key need for spectral data for a broad range of molecules. Given how challenging it is to obtain high-resolution molecular spectra, there is great value in creating intermediate approximate spectra that can provide a starting point for the analysis of atmospheric spectra. Using a combination of experimental measurements, organic chemistry, and quantum mechanics, RASCALL (Rapid Approximate Spectral Calculations for ALL) is a computational approach that provides approximate spectral data for any given molecule, including thousands of potential atmospheric gases, in seconds. RASCALL 1.0 simulates molecular spectra by interpreting functional group data from experimental and theoretical sources to estimate the position and strength of molecular bands. The RASCALL 1.0 spectra consist of approximate band centers and qualitative intensities. RASCALL can also be used to study spectral patterns between molecules, and to highlight ambiguities in molecular detections. The RASCALL catalogue, and its preliminary version RASCALL 1.0, contains spectral data for more molecules than any other publicly available database, with applications in all fields interested in the detection of molecules in the gas phase. The preliminary catalogue of molecular data and associated documentation are freely available online and will be routinely updated.

physics.chem-ph↗
arXiv2019

Phosphine as a Biosignature Gas in Exoplanet Atmospheres

A long-term goal of exoplanet studies is the identification and detection of biosignature gases. Beyond the most discussed biosignature gas O$_2$, only a handful of gases have been considered in detail. Here we evaluate phosphine (PH$_3$). On Earth, PH$_3$ is associated with anaerobic ecosystems, and as such is a potential biosignature gas on anoxic exoplanets. We simulate CO$_2-$ and H$_2-$dominated habitable terrestrial planet atmospheres. We find that PH$_3$ can accumulate to detectable concentrations on planets with surface production fluxes of 10$^{10}$-10$^{14}$ cm$^{-2}$ s$^{-1}$ (corresponding to surface concentrations of 10s of ppb to 100s of ppm), depending on atmospheric composition and UV flux. While high, such surface fluxes are comparable to the global terrestrial production rate of CH$_4$ (10$^{11}$ cm$^{-2}$ s$^{-1}$) and below the maximum local terrestrial PH$_3$ production rate (10$^{14}$ cm$^{-2}$ s$^{-1}$). As with other gases, PH$_3$ can more readily accumulate on low-UV planets, e.g. planets orbiting quiet M-dwarfs or with a photochemical UV shield. If detected, PH$_3$ is a promising biosignature gas, as it has no known abiotic false positives on terrestrial planets that could generate the high fluxes required for detection. PH$_3$ also has 3 strong spectral features such that in any atmosphere scenario 1 of the 3 will be unique compared to other dominant spectroscopic molecules. PH$_3$'s weakness as a biosignature gas is its high reactivity, requiring high outgassing for detectability. We calculate that 10s of hours of JWST time are required for a potential detection of PH$_3$. Yet because PH$_3$ is spectrally active in the same wavelength regions as other atmospherically important molecules (e.g., H$_2$O and CH$_4$), searches for PH$_3$ can be carried out at no additional observational cost to searches for other molecules relevant to exoplanet habitability.

astro-ph.EP↗
arXiv2019

The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres

We are now on a clear trajectory for improvements in exoplanet observations that will revolutionize our ability to characterize their atmospheric structure, composition, and circulation, from gas giants to rocky planets. However, exoplanet atmospheric models capable of interpreting the upcoming observations are often limited by insufficiencies in the laboratory and theoretical data that serve as critical inputs to atmospheric physical and chemical tools. Here we provide an up-to-date and condensed description of areas where laboratory and/or ab initio investigations could fill critical gaps in our ability to model exoplanet atmospheric opacities, clouds, and chemistry, building off a larger 2016 white paper, and endorsed by the NAS Exoplanet Science Strategy report. Now is the ideal time for progress in these areas, but this progress requires better access to, understanding of, and training in the production of spectroscopic data as well as a better insight into chemical reaction kinetics both thermal and radiation-induced at a broad range of temperatures. Given that most published efforts have emphasized relatively Earth-like conditions, we can expect significant and enlightening discoveries as emphasis moves to the exotic atmospheres of exoplanets.

astro-ph.EP↗
arXiv2019

Discovery of Cold Brown Dwarfs or Free-Floating Giant Planets Close to the Sun

This White Paper describes the opportunities for discovery of Jupiter-mass objects with 300K atmospheres. The discovery and characterization of such cold objects is vital for understanding the low-mass terminus of the initial mass function and for optimizing the study of exoplanets by the next generation of large telescopes, space probes and space missions.

astro-ph.SR↗
arXiv2018

Perspectives on Astrophysics Based on Atomic, Molecular, and Optical (AMO) Techniques

About two generations ago, a large part of AMO science was dominated by experimental high energy collision studies and perturbative theoretical methods. Since then, AMO science has undergone a transition and is now dominated by quantum, ultracold, and ultrafast studies. But in the process, the field has passed over the complexity that lies between these two extremes. Most of the Universe resides in this intermediate region. We put forward that the next frontier for AMO science is to explore the AMO complexity that describes most of the Cosmos.

physics.atom-ph↗
arXiv2018

The ExoMol database: molecular line lists for exoplanet and other hot atmospheres

The ExoMol database (www.exomol.com) provides extensive line lists of molecular transitions which are valid over extended temperatures ranges. The status of the current release of the database is reviewed and a new data structure is specified. This structure augments the provision of energy levels (and hence transition frequencies) and Einstein $A$ coefficients with other key properties, including lifetimes of individual states, temperature-dependent cooling functions, Landé $g$-factors, partition functions, cross sections, $k$-coefficients and transition dipoles with phase relations. Particular attention is paid to the treatment of pressure broadening parameters. The new data structure includes a definition file which provides the necessary information for utilities accessing ExoMol through its application programming interface (API). Prospects for the inclusion of new species into the database are discussed.

astro-ph.GA↗
arXiv2017

MARVEL analysis of the measured high-resolution rovibrational spectra of C2H2

Rotation-vibration energy levels are determined for the electronic ground state of the acetylene molecule, $^{12}$C$_2$H$_2$, using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. 37,813 measured transitions from 61 publications are considered. The distinct components of the spectroscopic network linking ortho and para states are considered separately. The 20,717 ortho and 17,096 para transitions measured experimentally are used to determine 6013 ortho and 5200 para energy levels. The MARVEL results are compared with alternative compilations based on the use of effective Hamiltonians.

astro-ph.EP↗
arXiv2017

MARVEL analysis of the measured high-resolution rovibronic spectra of $^{48}$Ti$^{16}$O

Accurate, experimental rovibronic energy levels, with associated labels and uncertainties, are reported for 11 low-lying electronic states of the diatomic \TiO\ molecule, determined using the \Marvel\ (Measured Active Rotational-Vibrational Energy Levels) algorithm. All levels are based on lines corresponding to critically reviewed and validated high-resolution experimental spectra taken from 24 literature sources. The transition data are in the 2 $-$ 22,160 \cm{} region. Out of the 49,679 measured transitions, 43,885 are triplet-triplet, 5710 are singlet-singlet and 84 are triplet-singlet transitions. A careful analysis of the resulting experimental spectroscopic network (SN) allows 48,590 transitions to be validated. The transitions determine 93 vibrational band origins of \TiO\, including 71 triplet and 22 singlet ones. There are 276 (73) triplet-triplet (singlet-singlet) band-heads derived from \Marvel\ experimental energies, 123 (38) of which have never been assigned in low or high resolution experiments. The highest $J$ value, where $J$ stands for the total angular momentum, for which an energy level is validated is 163. The number of experimentally-derived triplet and singlet \TiO\ rovibrational energy levels is 8682 and 1882, respectively. The lists of validated lines and levels for \TiO\ are deposited in the Supporting Information to this paper.

astro-ph.SR↗
arXiv2016

Tunnelling splitting in the phosphine molecule

Splitting due to tunnelling via the potential energy barrier has played a significant role in the study of molecular spectra since the early days of spectroscopy. The observation of the ammonia doublet led to attempts to find a phosphine analogous, but these have so far failed due to its considerably higher barrier. Full dimensional, variational nuclear motion calculations are used to predict splittings as a function of excitation energy. Simulated spectra suggest that such splittings should be observable in the near infrared via overtones of the $ν_2$ bending mode starting with $4ν_2$.

physics.chem-ph↗
arXiv2014

ExoMol line lists VII: The rotation-vibration spectrum of phosphine up to 1500 K

A comprehensive hot line list is calculated for $^{31}$PH$_3$ in its ground electronic state. This line list, called SAlTY, contains almost 16.8 billion transitions between 7.5 million energy levels and it is suitable for simulating spectra up to temperatures of 1500~K. It covers wavelengths longer than 1~$μ$m and includes all transitions to upper states with energies below $hc \cdot 18\,000$~cm$^{-1}$ and rotational excitation up to $J=46$. The line list is computed by variational solution of the Schrödinger equation for the rotation-vibration motion employing the nuclear-motion program TROVE. A previously reported {\it ab initio} dipole moment surface is used as well as an updated `spectroscopic' potential energy surface (PES), obtained by refining an existing \textit{ab initio} surface through least-squares fitting to the experimentally derived energies. Detailed comparisons with other available sources of phosphine transitions confirms SAlTY's accuracy and illustrates the incompleteness of previous experimental and theoretical compilations for temperatures above 300 K. Atmospheric models are expected to severely underestimate the abundance of phosphine in disequilibrium environments, and it is predicted that phosphine will be detectable in the upper troposphere of many substellar objects. This list is suitable for modelling atmospheres of many astrophysical environments, namely carbon stars, Y dwarfs, T dwarfs, hot Jupiters and solar system gas giant planets. It is available in full as supplementary data to the article and at \url{www.exomol.com}.

astro-ph.EP↗
arXiv2013

A Computed Room Temperature Line List for Phosphine

An accurate and comprehensive room temperature rotation-vibration transition line list for phosphine (31PH3) is computed using a newly refined potential energy surface and a previously constructed ab initio electric dipole moment surface. Energy levels, Einstein A coefficients and transition intensities are computed using these surfaces and a variational approach to the nuclear motion problem as implemented in the program TROVE. A ro-vibrational spectrum is computed, covering the wavenumber range 0 to 8000 cm-1. The resulting line list, which is appropriate for temperatures up to 300 K, consists of a total of 137 million transitions between 5.6 million energy levels. Several of the band centres are shifted to better match experimental transition frequencies. The line list is compared to the most recent HITRAN database and other laboratorial sources. Transition wavelengths and intensities are generally found to be in good agreement with the existing experimental data, with particularly close agreement for the rotational spectrum. An analysis of the comparison between the theoretical data created and the existing experimental data is performed, and suggestions for future improvements and assignments to the HITRAN database are made.

astro-ph.EP↗