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Recent spectra of protoplanetary disks around very low-mass stars (VLMS), captured by the Mid-InfraRed Instrument (MIRI) on board the James Webb Space Telescope (JWST), reveal a rich carbon chemistry. Current interpretations of these spectra are based on 0D slab models and provide valuable estimates for molecular emission temperatures and column densities in the innermost disk. However, the established fitting procedures and simplified models are challenged by the many overlapping gas features. We aim to simultaneously determine the molecular and the dust composition of the disk around the VLMS Sz28 in a Bayesian way. We model the JWST/MIRI spectrum of Sz28 up to $17\,\rm \mu m$ using the Dust Continuum Kit with Line emission from Gas (DuCKLinG). Systematically excluding different molecules from the Bayesian analysis allows for an evidence determination of all investigated molecules and isotopologues. We continue by examining the emission conditions and locations of all molecules, analysing the differences to previous 0D slab fitting, and analysing the dust composition. We find very strong Bayesian evidence for the presence of C2H2, HCN, C6H6, CO2, HC3N, C2H6, C3H4, C4H2, and CH4 in the JWST/MIRI spectrum of Sz28. Additionally, we identify CH3 and find tentative indications for NH3. There is no evidence for water in the spectrum. However, we show that column densities of up to $2\times10^{17}\,\rm cm^{-2}$ could be hidden in the observational noise if assuming similar emission conditions of water as the detected hydrocarbons. Contrary to previous 0D slab results, a C4H2 quasi-continuum is robustly identified. We expect some of the stated differences to previous 0D slab fitting results to arise from an updated data reduction of the spectrum, but also due to the different modelling process. The latter reason underpins the need for more advanced models and fitting procedures., Comment: accepted by Astronomy & Astrophysics

Very low-mass stars (those <0.3 solar masses) host orbiting terrestrial planets more frequently than other types of stars, but the compositions of those planets are largely unknown. We use mid-infrared spectroscopy with the James Webb Space Telescope to investigate the chemical composition of the planet-forming disk around ISO-ChaI 147, a 0.11 solar-mass star. The inner disk has a carbon-rich chemistry: we identify emission from 13 carbon-bearing molecules including ethane and benzene. We derive large column densities of hydrocarbons indicating that we probe deep into the disk. The high carbon to oxygen ratio we infer indicates radial transport of material within the disk, which we predict would affect the bulk composition of any planets forming in the disk., Comment: Published, 36 pages, 8 figures

The Mid-InfraRed Instrument (MIRI) on board the James Webb Space Telescope (JWST) probes the chemistry and dust mineralogy of the inner regions of protoplanetary disks. The observed spectra are unprecedented in their detail, complicating interpretations which are mainly based on manual continuum subtraction and 0D slab models. We investigate the physical conditions under which the gas emits in protoplanetary disks. Based on MIRI spectra, we apply a full Bayesian analysis that provides the posterior distributions of dust and molecular properties. For doing so, we introduce the Dust Continuum Kit with Line emission from Gas (DuCKLinG), a model describing the molecular line emission and the dust continuum simultaneously without large computational cost. The dust model is based on work by Juhasz et al. (2009, 2010). The molecular emission is based on LTE slab models, but with radial gradients in column densities and temperatures. The model is compared to observations using Bayesian analysis. We benchmark this model to a complex thermo-chemical ProDiMo model and fit the MIRI spectrum of GWLup. We find that the retrieved molecular conditions from DuCKLinG fall within the true values from ProDiMo. The column densities retrieved by Grant et al. (2023) fall within the retrieved ranges in this study for all examined molecules (CO2, H2O, HCN, and C2H2). Similar overlap is found for the temperatures with only the temperature range of HCN not including the previously found value. This discrepancy may be due to the simultaneous fitting of all molecules compared to the step-by-step fitting of the previous study. There is statistically significant evidence for radial temperature and column density gradients for H2O and CO2 compared to the constant temperature and column density assumed in the 0D slab models. Additionally, HCN and C2H2 emit from a small region with near constant conditions., Comment: accepted by Astronomy & Astrophysics

Crystalline silicates are an important tracer to the dust evolution in protoplanetary disks. In the inner disk, amorphous silicates are annealed by the high temperatures. These crystalline silicates are radially and vertically distributed in the disk. We aim to model the spatial distribution of crystalline silicate in the disk and its mid-IR spectra to study the effect on dust spectral features and to compare these to observations. We modeled a T-Tauri protoplanetary disk and defined the crystallization region from the crystallization and residence timescales. Radial mixing and drift were compared to find a vertically mixed region. We used the DISKLAB code to obtain the spatial distribution of the crystalline silicates, and MCMax code to model the mid-infrared spectrum. In our modeled disk, different grain sizes get crystallized in different regions in the disk. Crystallized dust in the disk surface is well mixed with the midplane due to vertical mixing and gets distributed to the outer disk by radial transport. Our model shows different contributions of the disk zones to the dust spectral features. Feature strengths change when varying the spatial distribution of crystalline dust. Our modeled spectra qualitatively agree with observations, but the modeled 10 $\mu$m feature is strongly dominated by crystalline dust. Models with reduced crystallinity and depletion of small crystalline dust in the inner disk show a better match with observations. Mid-IR observations of the disk surface represent the radial distribution of small dust in the midplane and provide us with dust properties in the inner disk. The inner and outer disks contribute more to shorter and longer wavelength features, respectively. Amorphization, sublimation, and dust evolution have to be considered to match observations. This study could interpret the spectra of protoplanetary disks taken with the MIRI on board the JWST., Comment: 15 pages, 14 figures

Context. Two protoplanets have recently been discovered within the PDS 70 protoplanetary disk. JWST/NIRCam offers a unique opportunity to characterize them and their birth environment at wavelengths difficult to access from the ground. Aims. We aim to image the circumstellar environment of PDS 70 at 1.87 $\mu$m and 4.83 $\mu$m, assess the presence of Pa-$\alpha$ emission due to accretion onto the protoplanets, and probe any IR excess indicative of heated circumplanetary material. Methods. We obtain non-coronagraphic JWST/NIRCam images of PDS 70 within the MINDS (MIRI mid-INfrared Disk Survey) program. We leverage the Vortex Image Processing (VIP) package for data reduction, and develop dedicated routines for optimal stellar PSF subtraction, unbiased imaging of the disk, and protoplanet flux measurement in this type of dataset. A radiative transfer model of the disk is used to disentangle the contributions from the disk and the protoplanets. Results. We re-detect both protoplanets and identify extended emission after subtracting a disk model, including a large-scale spiral-like feature. We interpret its signal in the direct vicinity of planet c as tracing the accretion stream feeding its circumplanetary disk, while the outer part of the feature may rather reflect asymmetric illumination of the outer disk. We also report a bright signal consistent with a previously proposed protoplanet candidate enshrouded in dust, near the 1:2:4 mean-motion resonance with planets b and c. The 1.87 $\mu$m flux of planet b is consistent with atmospheric model predictions, but not that of planet c. We discuss potential origins for this discrepancy, including significant Pa-$\alpha$ line emission. The 4.83 $\mu$m fluxes of planets b and c suggest enshrouding dust or heated CO emission from their circumplanetary environment., Comment: 6+11 pages, 3+10 figures (text+appendix). Accepted for publication in A&A

Terrestrial and sub-Neptune planets are expected to form in the inner ($<10~$AU) regions of protoplanetary disks. Water plays a key role in their formation, although it is yet unclear whether water molecules are formed in-situ or transported from the outer disk. So far Spitzer Space Telescope observations have only provided water luminosity upper limits for dust-depleted inner disks, similar to PDS 70, the first system with direct confirmation of protoplanet presence. Here we report JWST observations of PDS 70, a benchmark target to search for water in a disk hosting a large ($\sim54~$AU) planet-carved gap separating an inner and outer disk. Our findings show water in the inner disk of PDS 70. This implies that potential terrestrial planets forming therein have access to a water reservoir. The column densities of water vapour suggest in-situ formation via a reaction sequence involving O, H$_2$, and/or OH, and survival through water self-shielding. This is also supported by the presence of CO$_2$ emission, another molecule sensitive to UV photodissociation. Dust shielding, and replenishment of both gas and small dust from the outer disk, may also play a role in sustaining the water reservoir. Our observations also reveal a strong variability of the mid-infrared spectral energy distribution, pointing to a change of inner disk geometry., Comment: To appear in Nature on 24 July 2023. 21 pages, 10 figures; includes extended data. Part of the JWST MINDS Guaranteed Time Observations program's science enabling products. Spectra downloadable on Zenodo at https://zenodo.org/record/7991022

Early results from the JWST-MIRI guaranteed time programs on protostars (JOYS) and disks (MINDS) are presented. Thanks to the increased sensitivity, spectral and spatial resolution of the MIRI spectrometer, the chemical inventory of the planet-forming zones in disks can be investigated with unprecedented detail across stellar mass range and age. Here data are presented for five disks, four around low-mass stars and one around a very young high-mass star. The mid-infrared spectra show some similarities but also significant diversity: some sources are rich in CO2, others in H2O or C2H2. In one disk around a very low-mass star, booming C2H2 emission provides evidence for a ``soot'' line at which carbon grains are eroded and sublimated, leading to a rich hydrocarbon chemistry in which even di-acetylene (C4H2) and benzene (C6H6) are detected (Tabone et al. 2023). Together, the data point to an active inner disk gas-phase chemistry that is closely linked to the physical structure (temperature, snowlines, presence of cavities and dust traps) of the entire disk and which may result in varying CO2/H2O abundances and high C/O ratios >1 in some cases. Ultimately, this diversity in disk chemistry will also be reflected in the diversity of the chemical composition of exoplanets., Comment: 17 pages, 8 figures. Author's version of paper submitted to Faraday Discussions January 18 2023, Accepted March 16 2023

Embedded planets are potentially the cause of substructures like gaps and cavities observed in several protoplanetary disks. Thus, the substructures observed in the continuum and in line emission encode information about the presence of planets in the system and how they interact with the natal disk. The pre-transitional disk around the star PDS 70 is the first case of two young planets imaged within a dust depleted gap that was likely carved by themselves. We aim to determine the spatial distribution of the gas and dust components in the PDS 70 disk. The axisymmetric substructures observed in the resulting profiles are interpreted in the context of planet-disk interactions. We develop a thermo-chemical forward model for an axisymmetric disk to explain a subset of the Atacama Large Millimeter/Submillimeter Array (ALMA) band 6 observations of three CO isotopologues plus the continuum towards PDS 70. Combining the inferred gas and dust distributions, the model results in a variable gas-to-dust ratio profile throughout the disk that spans two orders of magnitude within the first $130$ au and shows a step gradient towards the outer disk, which is consistent with the presence of a pressure maxima driven by planet-disk interactions. We find a gas density drop factor of ${\sim} 19$ at the location of the planet PDS 70 c with respect to the peak gas density at $75$ au. Combining this value with literature results on the hydrodynamics of planet-disk interactions, we find this gas gap depth to be consistent with independent planet mass estimates from infrared observations. Our findings point towards gas stirring processes taking place in the common gap due to the gravitational perturbation of both planets., Comment: Accepted for publication in A&A

The abundances of CHNOS are crucial for the composition of planets. At the onset of planet formation, large amounts of these elements are stored in ices on dust grains in planet-forming disks. The evolution of this ice is affected by dynamical transport, collisional processes, and the formation and sublimation of ice. We aim to constrain the disk regions where these processes are fully coupled, and develop a flexible modelling approach that is able to predict the effects of these processes acting simultaneously on the CHNOS budgets of the dust in these regions. We compared timescales associated with these disk processes to constrain the disk regions where this approach is necessary, and developed the SHAMPOO code, which tracks the CHNOS abundances in the ice mantle of a single monomer dust particle, embedded in a larger aggregate and undergoing these processes simultaneously. The adsorption and photodesorption of monomer ices depend on the depth of the monomer in the aggregate. We investigated the effect of fragmentation velocity and aggregate filling factor on the amount of ice on monomers residing at r = 10 AU. The locations where disk processes are fully coupled depend on both grain size and ice species. Monomers embedded in aggregates with fragmentation velocities of 1 m/s are able to undergo adsorption and photodesorption more often compared to a fragmentation velocity of 5 m/s or 10 m/s. Aggregates with a filling factor of $10^{-3}$ are able to accumulate ice 22 times faster on average than aggregates with a filling factor of 1. As different grain sizes are coupled through collisions and the grain ice consists of multiple ice species, it is difficult to isolate the locations where disk processes are fully coupled, necessitating the development of the SHAMPOO code. The processing of ice may not be spatially limited to dust aggregate surfaces for either fragile or porous aggregates., Comment: 30 pages, 24 figures, 4 tables, to appear in Astronomy & Astrophysics

Carbon is an essential element for life but how much can be delivered to young planets is still an open question. The chemical characterization of planet-forming disks is a crucial step in our understanding of the diversity and habitability of exoplanets. Very low-mass stars ($<0.2~M_{\odot}$) are interesting targets because they host a rich population of terrestrial planets. Here we present the JWST detection of abundant hydrocarbons in the disk of a very low-mass star obtained as part of the MIRI mid-INfrared Disk Survey (MINDS). In addition to very strong and broad emission from C$_2$H$_2$ and its $^{13}$C$^{12}$CH$_2$ isotopologue, C$_4$H$_2$, benzene, and possibly CH$_4$ are identified, but water, PAH and silicate features are weak or absent. The lack of small silicate grains implies that we can look deep down into this disk. These detections testify to an active warm hydrocarbon chemistry with a high C/O ratio in the inner 0.1 au of this disk, perhaps due to destruction of carbonaceous grains. The exceptionally high C$_2$H$_2$/CO$_2$ and C$_2$H$_2$/H$_2$O column density ratios suggest that oxygen is locked up in icy pebbles and planetesimals outside the water iceline. This, in turn, will have significant consequences for the composition of forming exoplanets., Comment: version submitted to Nature Astronomy

The MIR blend fluxes correlation between HCN and water can be explained as a consequence of dust evolution, namely, changes in the dust MIR opacity. Other disk properties, such as the disk inner radius and the disk flaring angle, can only partially cover the dynamic range of the HCN and water blend observations. At the same time, the dynamic range of the MIR SED slopes is better reproduced by the disk structure (e.g. inner radius, flaring) than by the dust evolution. Our model series do not reproduce the observed trend between continuum flux at 850 {\mu}m and the MIR HCN/H2O blend ratio. However, our models show that this continuum flux is not a unique indicator of disk mass and it should therefore be used jointly with complementary observational data for optimal results. The presence of an anti-correlation between MIR H2O blend fluxes and the MIR SED is consistent with a scenario where dust evolves in disks, producing lower opacity and stronger features in the Spitzer spectral regime, while the gas eventually becomes depleted at a later stage, leaving behind an inner cavity in the disk.

ABRIDGED. The analysis of spectral energy distributions (SEDs) of protoplanetary disks to determine their physical properties is known to be highly degenerate. Hence, a Bayesian analysis is required to obtain parameter uncertainties and degeneracies. The challenge here is computational speed, as one radiative transfer model requires a couple of minutes to compute. We performed a Bayesian analysis for 30 well-known protoplanetary disks to determine their physical disk properties, including uncertainties and degeneracies. To circumvent the computational cost problem, we created neural networks (NNs) to emulate the SED generation process. We created two sets of radiative transfer disk models to train and test two NNs that predict SEDs for continuous and discontinuous disks. A Bayesian analysis was then performed on 30 protoplanetary disks with SED data collected by the DIANA project to determine the posterior distributions of all parameters. We ran this analysis twice, (i) with old distances and additional parameter constraints as used in a previous study, to compare results, and (ii) with updated distances and free choice of parameters to obtain homogeneous and unbiased model parameters. We evaluated the uncertainties in the determination of physical disk parameters from SED analysis, and detected and quantified the strongest degeneracies. The NNs are able to predict SEDs within 1ms with uncertainties of about 5% compared to the true SEDs obtained by the radiative transfer code. We find parameter values and uncertainties that are significantly different from previous values obtained by $\chi^2$ fitting. Comparing the global evidence for continuous and discontinuous disks, we find that 26 out of 30 objects are better described by disks that have two distinct radial zones. Also, we created an interactive tool that instantly returns the SED predicted by our NNs for any parameter combination., Comment: 40 pages, 22 figures, the online tool is available at https://tillkaeufer.github.io/sedpredictor

Methanol is the most complex molecule securely identified in interstellar ices and is a key chemical species for understanding chemical complexity in astrophysical environments. Important aspects of the methanol ice photochemistry are still unclear such as the branching ratios and photo-dissociation cross-sections at different temperatures and irradiation fluxes. This work aims at a quantitative agreement between laboratory experiments and astrochemical modelling of the CH3OH ice UV photolysis. This work also allows us to better understand which processes govern the methanol ice photochemistry present in laboratory experiments. We use ProDiMo to simulate the conditions of laboratory measurements. The simulations start with simple chemistry consisting only of methanol ice and helium to mimic the residual gas in the experimental chamber. A surface chemical network enlarged by photo-dissociation reactions is used to study the chemical reactions within the ice. Additionally, different surface chemistry parameters (surface competition, tunnelling, thermal diffusion and reactive desorption) are adopted to check those that reproduce the experimental results. The chemical models with ProDiMo can reproduce the methanol ice destruction via UV photodissociation at temperatures of 20, 30, 50 and 70 K as observed in the experiments. We note that the results are sensitive to different branching ratios after photolysis and to the mechanisms of reactive desorption. In the simulations of a molecular cloud at 20 K, we observed an increase in the methanol gas abundance of one order of magnitude, with a similar decrease in the solid-phase abundance. Comprehensive astrochemical models provide new insights into laboratory experiments as the quantitative understanding of the processes that govern the reactions within the ice. Ultimately, those insights can help to better interpret astronomical observations., Comment: Accepted for publication in A&A on 08-Feb-2023

The young massive-star-forming region M17 contains optically visible massive pre-main-sequence stars that are surrounded by circumstellar disks. Such disks are expected to disappear when these stars reach the main sequence. The physical and dynamical structure of these remnant disks are poorly constrained, especially the inner regions where accretion, photo-evaporation, and companion formation and migration may be ongoing. We aim to constrain the physical properties of the inner parts of the circumstellar disks of massive young stellar objects B243 (6 Msun) and B331 (12 Msun), two systems for which the central star has been detected and characterized previously despite strong dust extinction. Two-dimensional radiation thermo-chemical modelling with ProDiMo of double-peaked hydrogen lines of the Paschen and Brackett series observed with X-shooter was used to probe the properties of the inner disks. Additionally, the dust structure was studied by fitting the optical and near-infrared spectral energy distribution. B243 features a hot gaseous inner disk with dust at the sublimation radius at 3 AU. The disk appears truncated at roughly 6.5 AU; a cool outer disk of gas and dust may be present, but it cannot be detected with our data. B331 also has a hot gaseous inner disk. A gap separates the inner disk from a colder dusty outer disk starting at up to 100 AU. In both sources the inner disk extends to almost the stellar surface. Chemistry is essential for the ionization of hydrogen in these disks. The lack of a gap between the central objects and these disks suggests that they accrete through boundary-layer accretion. This would exclude the stars having a strong magnetic field. Their structures suggest that both disks are transitional in nature, that is to say they are in the process of being cleared, either through boundary-layer accretion, photo-evaporation, or through companion activity., Comment: 18 pages, 16 figures. Accepted for publication in A&A

Winds in protoplanetary disks play an important role in their evolution and dispersal. However, what physical process is driving the winds is still unclear (i.e. magnetically vs thermally driven), and can only be understood by directly confronting theoretical models with observational data. We use hydrodynamic photoevaporative disk-wind models and post-process them with a thermo-chemical model to produce synthetic observables for the o-H$_2$ at 2.12 micron and [OI] at 0.63 micron spectral lines and directly compare the results to a sample of observations. Our photoevaporative disk-wind model is consistent with the observed signatures of the blueshifted narrow low-velocity component (NLVC), which is usually associated with slow disk winds, for both tracers. Only for one out of seven targets that show blueshifted NLVCs does the photoevaporative model fail to explain the observed line kinematics. Our results also indicate that interpreting spectral line profiles by simple methods, such as the thin-disk approximation, to determine the line emitting region can yield misleading conclusions. The photoevaporative disk-wind models are largely consistent with the studied observational data set, but it is not possible to clearly discriminate between different wind-driving mechanisms. Further improvements to the models, such as consistent modelling of the dynamics and chemistry and detailed modelling of individual targets would be beneficial. Furthermore, a direct comparison of magnetically driven disk-wind models to the observational data set is necessary in order to determine whether or not spatially unresolved observations of multiple wind tracers are sufficient to discriminate between theoretical models., Comment: 14 pages, 13 figures, accepted for publication in A&A

We develop a simple iterative scheme to include vertical turbulent mixing and diffusion in ProDiMo thermo-chemical models for protoplanetary discs. The models are carefully checked for convergence toward the time-independent solution of the reaction-diffusion equations, as e.g. used in exoplanet atmosphere models. A series of five T Tauri disc models is presented where we vary the mixing parameter {\alpha} mix from 0 to 0.01 and take into account (a) the radiative transfer feedback of the opacities of icy grains that are mixed upward and (b) the feedback of the changing molecular abundances on the gas temperature structure caused by exothermic reactions and increased line heating/cooling. We see considerable changes of the molecular and ice concentrations in the disc. The most abundant species (H2, CH4, CO, the neutral atoms in higher layers, and the ices in the midplane) are transported both up and down, and at the locations where these abundant chemicals finally decompose, for example by photo processes, the release of reaction products has important consequences for all other molecules. This generally creates a more active chemistry, with a richer mixture of ionised, atomic, molecular and ice species and new chemical pathways that are not relevant in the unmixed case. We discuss the impact on three spectral observations caused by mixing and find that (i) icy grains can reach the observable disc surface where they cause ice absorption and emission features at IR to far-IR wavelengths, (ii) mixing increases the concentrations of certain neutral molecules observable by mid-IR spectroscopy, in particular OH, HCN and C2H2, and (iii) mixing can change the optical appearance of CO in ALMA line images and channel maps, where strong mixing would cause the CO molecules to populate the distant midplane., Comment: 19 pages, 13 Figures, accepted by A&A

The field of planet formation is in an exciting era, where recent observations of disks around low- to intermediate-mass stars made with state of the art interferometers and high-contrast optical and IR facilities have revealed a diversity of substructures, some possibly planet-related. It is therefore important to understand the physical and chemical nature of the protoplanetary building blocks, as well as their spatial distribution, to better understand planet formation. Since PPVI, the field has seen tremendous improvements in observational capabilities, enabling both surveys of large samples of disks and high resolution imaging studies of a few bright disks. Improvements in data quality and sample size have, however, opened up many fundamental questions about properties such as the mass budget of disks, its spatial distribution, and its radial extent. Moreover, the vertical structure of disks has been studied in greater detail with spatially resolved observations, providing new insights on vertical layering and temperature stratification, yet also bringing rise to questions about other properties, such as material transport and viscosity. Each one of these properties - disk mass, surface density distribution, outer radius, vertical extent, temperature structure, and transport - is of fundamental interest as they collectively set the stage for disk evolution and corresponding planet formation theories. In this chapter, we will review our understanding of the fundamental properties of disks including the relevant observational techniques to probe their nature, modelling methods, and the respective caveats. Finally, we discuss the implications for theories of disk evolution and planet formation underlining what new questions have since arisen as our observational facilities have improved., Comment: Review Chapter for Protostars and Planets VII, Editors: Shu-ichiro Inutsuka, Yuri Aikawa, Takayuki Muto, Kengo Tomida, and Motohide Tamura. Accepted version after interaction with the referees and before community feedback. 30 pages (34 with references), 10 figures

Stars in the solar neighbourhood have refractory element ratios slightly different from the Sun. It is unclear how much the condensation of solids and thus the composition of planets forming around these stars is affected. We aim to understand the impact of changing the ratios of refractory elements Mg, Si, and Fe within the range observed in solar type stars within 150~pc on the composition of planets forming around them. We use the GGchem code to simulate the condensation of solids in protoplanetary disks with a Minimum Mass Solar Nebula around main sequence G-type stars in the Solar neighbourhood. We extract the stellar elemental composition from the Hypatia database. We find that a lower Mg/Si ratio shifts the condensation sequence from forsterite (Mg$_2$SiO$_4$) and SiO to enstatite (MgSiO$_3$) and quartz (SiO$_2$); a lower Fe/S ratio leads to the formation of FeS and FeS$_2$ and little or no Fe-bearing silicates. Ratios of refractory elements translate directly from the gas phase to the condensed phase for $T\,<\,1000$~K. However, ratios with respect to volatile elements (e.g.\ oxygen and sulphur) in the condensates -- the building blocks of planets -- differ from the original stellar composition. Our study shows that the composition of planets crucially depends on the abundances of the stellar system under investigation. Our results can have important implications for planet interiors, which depend strongly on the degree of oxidation and the sulphur abundance., Comment: Accepted for publication in A&A

Direct observations of young stellar objects are important to test established theories of planet formation. PDS 70 is one of the few cases where robust evidence favours the presence of two planetary mass companions inside the gap of the transition disk. Those planets are believed to be going through the last stages of accretion from the protoplanetary disk, a process likely mediated by a circumplanetary disk (CPD). We aim to develop a three dimensional radiative transfer model for the dust component of the PDS 70 system which reproduces the system's global features observed at two different wavelengths: 855 $\mu\, \mathrm{m}$ with ALMA and 1.25 $\mu\, \mathrm{m}$ with VLT/SPHERE. We use this model to investigate the physical properties of the planetary companion PDS 70 c and its potential circumplanetary disk. We select initial values for the physical properties of the planet and CPD through appropriate assumptions about the nature and evolutionary stage of the object. We modify iteratively the properties of the protoplanetary disk until the predictions retrieved from the model are consistent with both data sets. We provide a model that jointly explains the global features of the PDS 70 system seen in submillimeter and polarised-scattered light. Our model suggests that spatial segregation of dust grains is present in the protoplanetary disk. The submillimeter modelling of the PDS 70 c source favours the presence of an optically thick CPD and places an upper limit to its dust mass of 0.7 $M_\oplus$. Furthermore, analysis of the thermal structure of the CPD demonstrates that the planet luminosity is the dominant heating mechanism of dust grains inside 0.6 au from the planet while heating by stellar photons dominates at larger planetocentric distances., Comment: accepted for publication in A&A

Context. Characterizing the evolution of protoplanetary disks is necessary to improve our understanding of planet formation. Constraints on both dust and gas are needed to determine the dominant disk dissipation mechanisms. Aims. We aim to compare the disk dust masses in the Chamaeleon II (Cha II) star-forming region with other regions with ages between 1 and 10Myr. Methods. We use ALMA band 6 observations (1.3 mm) to survey 29 protoplanetary disks in Cha II. Dust mass estimates are derived from the continuum data. Results. Out of our initial sample of 29 disks, we detect 22 sources in the continuum, 10 in 12CO, 3 in 13CO, and none in C18O (J=2-1). Additionally, we detect two companion candidates in the continuum and 12CO emission. Most disk dust masses are lower than 10Mearth, assuming thermal emission from optically thin dust. We compare consistent estimations of the distributions of the disk dust mass and the disk-to-stellar mass ratios in Cha II with six other low mass and isolated star-forming regions in the age range of 1-10Myr: Upper Sco, CrA, IC 348, Cha I, Lupus, and Taurus. When comparing the dust-to-stellar mass ratio, we find that the masses of disks in Cha II are statistically different from those in Upper Sco and Taurus, and we confirm that disks in Upper Sco, the oldest region of the sample, are statistically less massive than in all other regions. Performing a second statistical test of the dust mass distributions from similar mass bins, we find no statistical differences between these regions and Cha II. Conclusions. We interpret these trends, most simply, as a sign of decline in the disk dust masses with time or dust evolution. Different global initial conditions in star-forming regions may also play a role, but their impact on the properties of a disk population is difficult to isolate in star-forming regions lacking nearby massive stars., Comment: Accepted for publication in A&A

In this era of spatially resolved observations of planet forming disks with ALMA and large ground-based telescopes such as the VLT, Keck and Subaru, we still lack statistically relevant information on the quantity and composition of the material that is building the planets, such as the total disk gas mass, the ice content of dust, and the state of water in planetesimals. SPICA is an infrared space mission concept developed jointly by JAXA and ESA to address these questions. The key unique capabilities of SPICA that enable this research are (1) the wide spectral coverage 10-220 micron, (2) the high line detection sensitivity of (1-2) 10-19 W m-2 with R~2000-5000 in the far-IR (SAFARI) and 10-20 W m-2 with R~29000 in the mid-IR (SMI, spectrally resolving line profiles), (3) the high far-IR continuum sensitivity of 0.45 mJy (SAFARI), and (4) the observing efficiency for point source surveys. This paper details how mid- to far-IR infrared spectra will be unique in measuring the gas masses and water/ice content of disks and how these quantities evolve during the planet forming period. These observations will clarify the crucial transition when disks exhaust their primordial gas and further planet formation requires secondary gas produced from planetesimals. The high spectral resolution mid-IR is also unique for determining the location of the snowline dividing the rocky and icy mass reservoirs within the disk and how the divide evolves during the build-up of planetary systems. Infrared spectroscopy (mid- to far-IR) of key solid state bands is crucial for assessing whether extensive radial mixing, which is part of our Solar System history, is a general process occurring in most planetary systems and whether extrasolar planetesimals are similar to our Solar System comets/asteroids. ... (abbreviated), Comment: accepted for publication in PASA

Context: The long-term carbonate-silicate cycle plays an important role in the evolution of Earth's climate and, therefore, may also be an important mechanism in the evolution of the climates of Earth-like exoplanets. Aims: We investigate the effects of radiogenic mantle heating, core size, and planetary mass on the evolution of the atmospheric partial $CO_2$ pressure, and the ability of a long-term carbon cycle driven by plate tectonics to control the atmospheric $CO_2$ pressure. Methods: We developed a box-model which connects carbon cycling to parametrized mantle convection. The carbon cycle was coupled to the thermal evolution via the plate speed, which depends on the global Rayleigh number. Results: We find decreasing atmospheric $CO_2$ pressure with time, up to an order of magnitude over 10 Gyr. Higher abundances of radioactive isotopes result in higher $CO_2$ pressures. We find a decreasing Rayleigh number and plate speed toward planets with larger core mass fractions $f_c$, which leads to lower atmospheric $CO_2$ pressure. More massive planets may favor the development of more $CO_2$ rich atmospheres due to hotter interiors. Conclusions: The dependence of plate tectonics on mantle cooling has a significant effect on the long-term evolution of the atmospheric $CO_2$ pressure. Carbon cycling mediated by plate tectonics is efficient in regulating planetary climates for a wide range of mantle radioactive isotope abundances, planet masses and core sizes. More efficient carbon cycling on planets with a high mantle abundance of thorium or uranium highlights the importance of mapping the abundances of these elements in host stars of potentially habitable exoplanets. Inefficient carbon recycling on planets with a large core mass fraction ($f_c\gtrsim 0.8$) emphasizes the importance of precise mass-radius measurements of Earth-sized exoplanets., Comment: 20 pages, 16 figures, to appear in Astronomy & Astrophysics

Mid-infrared imaging traces the sub-micron and micron sized dust grains in protoplanetary disks and it offers constraints on the geometrical properties of the disks and potential companions, particularly if those companions have circumplanetary disks. We use the VISIR instrument and its upgrade NEAR on the VLT to take new mid-infrared images of five (pre-)transition disks and one circumstellar disk with proposed planets and obtain the deepest resolved mid-infrared observations to date in order to put new constraints on the sizes of the emitting regions of the disks and the presence of possible companions. We derotate and stack the data to find the disk properties. Where available we compare the data to ProDiMo (Protoplanetary Disk Model) radiation thermo-chemical models to achieve a deeper understanding of the underlying physical processes within the disks. We apply the circularised PSF subtraction method to find upper limits on the fluxes of possible companions and model companions with circumplanetary disks. We resolve three of the six disks and calculate position angles, inclinations and (upper limits to) sizes of emission regions in the disks, improving upper limits on two of the unresolved disks. In all cases the majority of the mid-IR emission comes from small inner disks or the hot inner rims of outer disks. We refine the existing ProDiMo HD 100546 model SED fit in the mid-IR by increasing the PAH abundance relative to the ISM, adopting coronene as the representative PAH, and increase the outer cavity radius to 22.3 AU. We produce flux estimates for putative planetary-mass companions and circumplanetary disks, ruling out the presence of planetary-mass companions with $L > 0.0028 L_{\odot}$ for $a > 180$ AU in the HD 100546 system. Upper limits of 0.5 mJy-30 mJy are obtained at 8 $\mu$m-12 $\mu$m for potential companions in the different disks., Comment: Accepted in A&A

We report the first characterisation of the individual discs in the intermediate separation binary systems KK Oph and HD 144668 at millimetre wavelengths. In both systems the circum-primary and the circum-secondary discs are detected in the millimetre continuum emission, but not in $^{13}$CO nor C$^{18}$O lines. Even though the disc structure is only marginally resolved, we find indications of large-scale asymmetries in the outer regions of the primary discs, most likely due to perturbation by the companion. The derived dust masses are firmly above debris disc level for all stars. The primaries have about three times more dust in their discs than the secondaries. In the case of HD 144668 the opacity spectral index of the primary and secondary differ by the large margin of 0.69 which may be a consequence of the secondary disc being more compact. Upper limits on the gas masses imply less than 0.1 M$_{\textrm{jup}}$ in any of these discs, meaning that giant planets can no longer form in them. Considering that there have been no massive gas discs identified to date in intermediate separation binaries (i.e., binaries at a few hundred au separation), this opens space for speculation whether their binarity causes the removal of gas, with tidal interaction truncating the discs and hence shortening the accretion timescale. More systematic studies in this respect are sorely needed., Comment: 12 pages. Accepted for publication in MNRAS

We analyze high-resolution (dv=<10km/s) optical and infrared spectra covering the [OI] 6300 angstrom and [NeII] 12.81 micron lines from a sample of 31 disks in different evolutionary stages. Following work at optical wavelengths, we use Gaussian profiles to fit the [NeII] lines and classify them into HVC (LVC) if the line centroid is more (less) blueshifted than 30 km/s with respect to the stellar radial velocity. Unlike for the [OI] where a HVC is often accompanied by a LVC, all 17 sources with a [NeII] detection have either a HVC or a LVC. [NeII] HVCs are preferentially detected toward high accretors (Macc > 10$^{-8}$ Msun/yr) while LVCs are found in sources with low Macc, low [OI] luminosity, and large infrared spectral index (n13-31). Interestingly, the [NeII] and [OI] LVC luminosities display an opposite behaviour with n13-31: as the inner dust disk depletes (higher n13-31) the [NeII] luminosity increases while the [OI] weakens. The [NeII] and [OI] HVC profiles are generally similar with centroids and FWHMs showing the expected behaviour from shocked gas in micro-jets. In contrast, the [NeII] LVC profiles are typically more blueshifted and narrower than the [OI] profiles. The FWHM and centroid vs. disk inclination suggest that the [NeII] LVC predominantly traces unbound gas from a slow, wide-angle wind that has not lost completely the Keplerian signature from its launching region. We sketch an evolutionary scenario that could explain the combined [OI] and [NeII] results and includes screening of hard (~1keV) X-rays in inner, mostly molecular, MHD winds., Comment: Accepted for publication in The Astrophysical Journal

Spatially resolved continuum observations of planet-forming disks show prominent ring and gap structures in their dust distribution. However, the picture from gas observations is much less clear and constraints on the radial gas density structure (i.e. gas gaps) remain rare and uncertain. We want to investigate the importance of thermo-chemical processes for the interpretation of high-spatial-resolution gas observations of planet-forming disks and their impact on derived gas properties. We apply the radiation thermo-chemical disk code ProDiMo (PROtoplanetary DIsk MOdel) to model self-consistently the dust and gas disk of HD 163296, using the DSHARP gas and dust observations. With this model we investigate the impact of dust gaps and gas gaps, considering chemistry and heating/cooling processes, on the observables and the derived gas properties. We find distinct peaks in the radial line intensity profiles of the CO line data of HD 163296 at the location of the dust gaps. Our model indicates that those peaks are not only a consequence of a gas temperature increase within the gaps but are mainly caused by the absorption of line emission from the back side of the disk by the dust rings. For two of the three prominent dust gaps in HD 163296, we find that thermo-chemical effects are negligible for deriving density gradients via measurements of the rotation velocity. However, for the gap with the highest dust depletion, the temperature gradient can be dominant and needs to be considered to derive accurate gas density profiles. Self-consistent gas and dust thermo-chemical modelling in combination with high-quality observations of multiple molecules are necessary to accurately derive gas gap depths and shapes. This is crucial to determine the origin of gaps and rings in planet-forming disks and to improve the mass estimates of forming planets if they are the cause of the gap., Comment: 12 pages, 9 figures, accepted for publication in A&A

Context: The Galilean satellites are thought to have formed from a circumplanetary disk (CPD) surrounding Jupiter. When it reached a critical mass, Jupiter opened an annular gap in the solar protoplanetary disk (PPD) that might have exposed the CPD to radiation from the young Sun or from the stellar cluster in which the Solar System formed. Aims: We investigate the radiation field to which the Jovian CPD was exposed during the process of satellite formation. The resulting photoevaporation of the CPD is studied in this context to constrain possible formation scenarios for the Galilean satellites and explain architectural features of the Galilean system. Methods: We constructed a model for the stellar birth cluster to determine the intracluster far-ultraviolet (FUV) radiation field. We employed analytical annular gap profiles informed by hydrodynamical simulations to investigate a range of plausible geometries for the Jovian gap. We used the radiation thermochemical code ProDiMo to evaluate the incident radiation field in the Jovian gap and the photoevaporation of an embedded 2D axisymmetric CPD. Results: We derive the time-dependent intracluster FUV radiation field for the solar birth cluster over 10 Myr. We find that intracluster photoevaporation can cause significant truncation of the Jovian CPD. We determine steady-state truncation radii for possible CPDs, finding that the outer radius is proportional to the accretion rate $\dot{M}^{0.4}$. For CPD accretion rates $\dot M < 10^{-12} M_{\odot}$ yr$^{-1}$, photoevaporative truncation explains the lack of additional satellites outside the orbit of Callisto. For CPDs of mass $M_{\rm CPD} < 10^{-6.2 M_{\odot}}$ , photoevaporation can disperse the disk before Callisto is able to migrate into the Laplace resonance. This explains why Callisto is the only massive satellite that is excluded from the resonance., Comment: 17 pages, 13 figures, accepted by A&A

Near-IR observations of protoplanetary disks provide information about the properties of the inner disk. High resolution spectra of abundant molecules such as CO can be used to determine the disk structure in the warm inner parts. The $v2/v1$ ro-vibrational ratio of $v_{1-0}$ and $v_{2-1}$ transitions has been recently observed to follow distinct trends with the CO emitting radius, in a sample of TTauri and Herbig disks; these trends have been empirically interpreted as due to inner disk depletion from gas and dust. In this work we use existing thermo-chemical disk models to explore the interpretation of these observed trends in ro-vibrational CO emission. We use the radiation thermo-chemical code ProDiMo, exploring a set of previously published models with different disk properties and varying one parameter at a time: the inner radius, the dust-to-gas mass ratio, the gas mass. In addition, we use models where we change the surface density power law index, and employ a larger set of CO ro-vibrational levels, including also fluorescence from the first electronic state. We investigate these models for both TTauri and Herbig star disks. Finally, we include a set of DIANA models for individual TTauri and Herbig disks which were constructed to reproduce a large set of multi-wavelength observations.

SPHERE (Beuzit et al,. 2019) has now been in operation at the VLT for more than 5 years, demonstrating a high level of performance. SPHERE has produced outstanding results using a variety of operating modes, primarily in the field of direct imaging of exoplanetary systems, focusing on exoplanets as point sources and circumstellar disks as extended objects. The achievements obtained thus far with SPHERE (~200 refereed publications) in different areas (exoplanets, disks, solar system, stellar physics...) have motivated a large consortium to propose an even more ambitious set of science cases, and its corresponding technical implementation in the form of an upgrade. The SPHERE+ project capitalizes on the expertise and lessons learned from SPHERE to push high contrast imaging performance to its limits on the VLT 8m-telescope. The scientific program of SPHERE+ described in this document will open a new and compelling scientific window for the upcoming decade in strong synergy with ground-based facilities (VLT/I, ELT, ALMA, and SKA) and space missions (Gaia, JWST, PLATO and WFIRST). While SPHERE has sampled the outer parts of planetary systems beyond a few tens of AU, SPHERE+ will dig into the inner regions around stars to reveal and characterize by mean of spectroscopy the giant planet population down to the snow line. Building on SPHERE's scientific heritage and resounding success, SPHERE+ will be a dedicated survey instrument which will strengthen the leadership of ESO and the European community in the very competitive field of direct imaging of exoplanetary systems. With enhanced capabilities, it will enable an even broader diversity of science cases including the study of the solar system, the birth and death of stars and the exploration of the inner regions of active galactic nuclei., Comment: White paper submitted to ESO on Feb. 20th, 2020

Mid-infrared molecular line emission detected with the Spitzer Space Telescope is often interpreted using slab models. However, we need to understand the mid-infrared line emission in 2D disk models, such that we gain information about from where the lines are being emitted and under which conditions, such that we gain information about number densities, temperatures, and optical depths in both the radial and vertical directions. In this paper, we introduce a series of 2D thermochemical models of a prototypical T Tauri protoplanetary disk, in order to examine how sensitive the line-emitting regions are to changes in the UV and X-ray fluxes, the disk flaring angle, dust settling, and the dust-to-gas ratio. These all affect the heating of the inner disk, and thus can affect the mid-infrared spectral lines. Using the ProDiMo and FLiTs codes, we produce a series of 2D thermochemical disk models. We find that there is often a significant difference between the gas and dust temperatures in the line emitting regions, and we illustrate that the size of the line emitting regions is relatively robust against changes in the stellar and disk parameters (namely, the UV and X-ray fluxes, the flaring angle, and dust settling). These results demonstrate the potential for localized variations in the line-emitting region to greatly affect the resulting spectra and line fluxes, and the necessity of allowing for such variations in our models., Comment: 39 pages, 39 figures, 4 tables

In this paper, we couple together the dust evolution code two-pop-py with the thermochemical disk modelling code ProDiMo. We create a series of thermochemical disk models that simulate the evolution of dust over time from 0.018 Myr to 10 Myr, including the radial drift, growth, and settling of dust grains. We examine the effects of this dust evolution on the mid-infrared gas emission, focussing on the mid-infrared spectral lines of C2H2, CO2, HCN, NH3, OH, and H2O that are readily observable with Spitzer and the upcoming E-ELT and JWST. The addition of dust evolution acts to increase line fluxes by reducing the population of small dust grains. We find that the spectral lines of all species except C2H2 respond strongly to dust evolution, with line fluxes increasing by more than an order of magnitude across the model series as the density of small dust grains decreases over time. The C2H2 line fluxes are extremely low due to a lack of abundance in the infrared line-emitting regions, despite C2H2 being commonly detected with Spitzer, suggesting that warm chemistry in the inner disk may need further investigation. Finally, we find that the CO2 flux densities increase more rapidly than the other species as the dust disk evolves. This suggests that the flux ratios of CO2 to other species may be lower in disks with less-evolved dust populations., Comment: 13 pages, 9 figures, accepted in A&A

Consistent modeling of protoplanetary disks requires the simultaneous solution of both continuum and line radiative transfer, heating/cooling balance between dust and gas and, of course, chemistry. Such models depend on panchromatic observations that can provide a complete description of the physical and chemical properties and energy balance of protoplanetary systems. Along these lines we present a homogeneous, panchromatic collection of data on a sample of 85 T Tauri and Herbig Ae objects for which data cover a range from X-rays to centimeter wavelengths. Datasets consist of photometric measurements, spectra, along with results from the data analysis such as line fluxes from atomic and molecular transitions. Additional properties resulting from modeling of the sources such as disc mass and shape parameters. dust size and PAH properties are also provided for completeness. Targets were selected based on their properties data availability. Data from more than 50 different telescopes and facilities were retrieved and combined in homogeneous datasets directly from public data archives or after being extracted from more than 100 published articles. X-ray data for a subset of 56 sources represent an exception as they were reduced from scratch and are presented here for the first time. Compiled datasets along with a subset of continuum and emission-line models are stored in a dedicated database and distributed through a publicly accessible online system. All datasets contain metadata descriptors that allow to backtrack them to their original resources. The graphical user interface of the online system allows the user to visually inspect individual objects but also compare between datasets and models. It also offers to the user the possibility to download any of the stored data and metadata for further processing., Comment: 32 pages, 11 figures, A&A accepted

Several detections of wide-orbit planet-mass/sub-stellar companions around young solar-like stars were reported in the last decade. The origin of those possible planets is still unclear but accretion tracers and VLT/SPHERE observations indicate that they are surrounded by circumplanetary material or even a circumplanetary disk. We want to investigate if the gas component of disks around wide-orbit companions is detectable with current and future (sub)mm telescopes and what constraints such gas observations can provide on the nature of the circumplanetary material and on the mass of the companion. We applied the radiation thermo-chemical disk code ProDiMo to model the dust and gas component of passive circumplanetary disks and produced realistic synthetic observables. We considered different companion properties, disk parameters and radiative environments and compared the resulting synthetic observables to telescope sensitivities and to existing dust observations. The main criterion for a successful detection is the size of the circumplanetary disk. At a distance of about 150 pc, a circumplanetary disk with an outer radius of about 10 au is detectable with ALMA in about 6 hours in optically thick CO lines. Other aspects such as the companion's luminosity, disk inclination and background radiation fields are also relevant and should be considered to optimize the observing strategy for detection experiments. For most of the known wide-orbit planet-mass companions, their maximum theoretical disk size of one third of the Hill radius would be sufficient to allow detection of CO lines. It is therefore feasible to detect their gas disks and constrain the mass of the companion through the kinematic signature. Even in the case of non-detections such observations will provide stringent constraints on disk size and gas mass, information crucial for formation theories., Comment: 13 pages, 11 figures, accepted for publication in A&A

Planets form in protoplanetary disks and inherit their chemical compositions. It is thus crucial to map the distribution and investigate the formation of simple organics, such as formaldehyde and methanol, in protoplanetary disks. We analyze ALMA observations of the nearby disk-jet system around the T Tauri star DG Tau in the o-H$_2$CO $3_{1,2}-2_{1,1}$ and CH$_3$OH $3_{-2,2}-4_{-1,4}$ E, $5_{0,5}-4_{0,4}$ A transitions at an unprecedented resolution of $\sim0.15"$, i.e., $\sim18$ au at a distance of 121 pc. The H$_2$CO emission originates from a rotating ring extending from $\sim40$ au with a peak at $\sim62$ au, i.e., at the edge of the 1.3mm dust continuum. CH$_3$OH emission is not detected down to an r.m.s. of 3 mJy/beam in the 0.162 km/s channel. Assuming an ortho-to-para ratio of 1.8-2.8 the ring- and disk-height-averaged H$_2$CO column density is $\sim0.3-4\times10^{14}$ cm$^{-2}$, while that of CH$_3$OH is $<0.04-0.7\times10^{14}$ cm$^{-2}$. In the inner $40$ au no o-H$_2$CO emission is detected with an upper limit on its beam-averaged column density of $\sim0.5-6\times10^{13}$ cm$^{-2}$. The H$_2$CO ring in the disk of DG Tau is located beyond the CO iceline (R$_{\rm CO}\sim30$ au). This suggests that the H$_2$CO abundance is enhanced in the outer disk due to formation on grain surfaces by the hydrogenation of CO ice. The emission peak at the edge of the mm dust continuum may be due to enhanced desorption of H$_2$CO in the gas phase caused by increased UV penetration and/or temperature inversion. The CH$_3$OH/H$_2$CO abundance ratio is $<1$, in agreement with disk chemistry models. The inner edge of the H$_2$CO ring coincides with the radius where the polarization of the dust continuum changes orientation, hinting at a tight link between the H$_2$CO chemistry and the dust properties in the outer disk and at the possible presence of substructures in the dust distribution., Comment: 8 pages, 6 figures, accepted for publication on A&A Letters

Anomalies in the abundance measurements of short lived radionuclides in meteorites indicate that the protosolar nebulae was irradiated by a large number of energetic particles ($E\gtrsim10\,$MeV), often called solar cosmic rays. The particle flux of the contemporary Sun cannot explain these anomalies, but, similar to \mbox{T Tauri} stars, the young Sun was more active and probably produced enough high energy particles. However, the stellar particle (SP) flux of young stars is essentially unknown. We model the impact of high-energy ionization sources on the chemistry of the circumstellar environment (disks and envelopes). The model includes X-ray radiative transfer and makes use of particle transport models to calculate the individual molecular hydrogen ionization rates. We study the impact on the chemistry via the ionization tracers HCO$^+$ and N$_2$H$^+$. We argue that spatially resolved observations of those molecules combined with detailed models allow for disentangling the contribution of the individual high-energy ionization sources and to put constraints on the SP flux in young stars., Comment: 2 pages, 1 figure, accepted for IAUS345 "Origins: From the Protosun to the First Steps of Life" proceedings

VLT instruments and ALMA have revolutionized in the past five years our view and understanding of how disks turn into planetary systems. They provide exquisite insights into non-axisymmetric structures likely closely related to ongoing planet formation processes. The following cannot be a complete review of the physical and chemical properties of disks; instead I focus on a few selected aspects. I will review our current understanding of the physical properties (e.g. solid and gas mass content, snow and ice lines) and chemical composition of planet forming disks at ages of 1-few Myr, especially in the context of the planetary systems that are forming inside them. I will highlight recent advances achieved by means of consistent multi-wavelength studies of gas AND dust in protoplanetary disks., Comment: accepted for IAUS345 "Origins: From the Protosun to the First Steps of Life" proceedings

Molecular hydrogen (H2) is the main constituent of the gas in the planet-forming disks that surround many PMS stars. H2 can be incorporated in the atmosphere of the giant planets. HD has been detected in a few disks and can be considered the most reliable tracer of H2. We wish to form H2 and HD efficiently for the varied conditions encountered in protoplanetary disks: the densities vary from 1E4 to 1E16 cm^-3; the dust temperatures range from 5 to 1500 K, the gas temperatures go from 5 to a few 1000 Kelvin, and the ultraviolet field can be 1E7 stronger than the standard interstellar field. We implemented a comprehensive model of H2 and HD formation on cold and warm grain surfaces and via hydrogenated PAHs in the physico-chemical code ProDiMo. The H2 and HD formation can proceed via the Langmuir-Hinshelwood and Eley-Ridel mechanisms for physisorbed or chemisorbed H (D) atoms. H2 and HD also form by H (D) abstraction from hydrogenated neutral and ionised PAHs and via gas phase reactions. H2 and HD are formed efficiently on dust grain surfaces from 10 to 700 K. All the deuterium is converted into HD in UV shielded regions as soon as H2 is formed by gas-phase D abstraction reactions. The detailed model compares well with standard analytical prescriptions for H2 (HD) formation. At low temperatures, H2 is formed from the encounter of two physisorbed atoms. HD molecules form on the grain surfaces and in the gas-phase. At temperatures greater than 20 K, the meeting between a weakly bound H- (or D-) atom or a gas-phase H (D) atom and a chemisorbed atom is the most efficient H2 formation route. H2 formation through hydrogenated PAHs alone is efficient above 80 K. The contribution of hydrogenated PAHs to the overall H2 and HD formation is relatively low if chemisorption on silicate is taken into account and if a small hydrogen abstraction cross-section is used., Comment: 26 pages, accepted to A&A

The origin of the reservoirs of water on Earth is debated. The Earth's crust may contain at least three times more water than the oceans. This crust water is found in the form of phyllosilicates, whose origin probably differs from that of the oceans. We test the possibility to form phyllosilicates in protoplanetary disks, which can be the building blocks of terrestrial planets. We developed an exploratory rate-based warm surface chemistry model where water from the gas-phase can chemisorb on dust grain surfaces and subsequently diffuse into the silicate cores. We apply the phyllosilicate formation model to a zero-dimensional chemical model and to a 2D protoplanetary disk model (ProDiMo). The disk model includes in addition to the cold and warm surface chemistry continuum and line radiative transfer, photoprocesses (photodissociation, photoionization, and photodesorption), gas-phase cold and warm chemistry including three-body reactions, and detailed thermal balance. Despite the high energy barrier for water chemisorption on silicate grain surfaces and for diffusion into the core, the chemisorption sites at the surfaces can be occupied by a hydroxyl bond (-OH) at all gas and dust temperatures from 80 to 700 K for a gas density of 2E4 cm^-3. The chemisorption sites in the silicate cores are occupied at temperatures between 250 and 700 K. At higher temperatures thermal desorption of chemisorbed water occurs. The occupation efficiency is only limited by the maximum water uptake of the silicate. The timescales for complete hydration are at most 1E5 years for 1 mm radius grains at a gas density of 1E8 cm^-3. Phyllosilicates can be formed on dust grains at the dust coagulation stage in protoplanetary disks within 1 Myr. It is however not clear whether the amount of phyllosilicate formed by warm surface chemistry is sufficient compared to that found in Solar System objects., Comment: accepted to A&A

The European FP7 project DIANA has performed a coherent analysis of a large set of observations from protoplanetary disks by means of thermo-chemical disk models. The collected data include extinction-corrected stellar UV and X-ray input spectra (as seen by the disk), photometric fluxes, low and high resolution spectra, interferometric data, emission line fluxes, line velocity profiles and line maps. We define and apply a standardized modelling procedure to simultaneously fit all these data by state-of-the-art modelling codes (ProDiMo, MCFOST, MCMax) which solve the continuum and line radiative transfer, disk chemistry, and the heating & cooling balance for both the gas and the dust. We allow for up to two radial disk zones to obtain our best-fitting models that have about 20 free parameters. This approach is novel and unique in its completeness and level of consistency. In this paper, we present the results from pure SED fitting for 27 objects and from the all inclusive DIANA-standard models for 14 objects. We fit most infrared to millimeter emission line fluxes within a factor better than 3, simultaneously with SED, PAH features and radial brightness profiles extracted from images at various wavelengths. Our analysis shows a number of Herbig Ae and T Tauri stars with very cold and massive outer disks which are situated at least partly in the shadow of a tall and gas-rich inner disk. The disk masses derived are often in excess to previously published values, since these disks are partially optically thick even at millimeter wavelength and so cold that they emit less than in the Rayleigh-Jeans limit. Some line observations cannot be reproduced by the models, probably caused by foreground cloud absorption or object variability. Our data collection, the fitted physical disk parameters as well as the full model output are available at an online database (http://www.univie.ac.at/diana)., Comment: 70 pages, 35 figures, 22 tables, accepted by PASP

Context. Disks around pre-main-sequence stars evolve over time by turbulent viscous spreading. The main contender to explain the strength of the turbulence is the Magneto-Rotational-Instability (MRI) model, whose efficiency depends on the disk ionization fraction. Aims. We aim at computing self-consistently the chemistry including PAH charge chemistry, the grain charging and an estimate of an effective value of the turbulence alpha parameter in order to find observational signatures of disk turbulence. Methods. We introduced PAH and grain charging physics and their interplay with other gas-phase reactions in the physico-chemical code ProDiMo. Non-ideal magnetohydrodynamics effects such as Ohmic and ambipolar diffusion are parametrized to derive an effective value for the turbulent parameter alpha_eff . We explored the effects of turbulence heating and line broadening on CO isotopologue sub-millimeter lines. Results. The spatial distribution of alpha_eff depends on various unconstrained disk parameters such as the magnetic parameter beta_mag or the cosmic ray density distribution inside the protoplanetary disks. The inner disk midplane shows the presence of the so-called dead-zone where the turbulence is quasi-inexistent. The disk is heated mostly by thermal accommodation on dust grains in the dead-zone, by viscous heating outside the dead-zone up to a few hundred astronomical units, and by chemical heating in the outer disk. The CO rotational lines probe the warm molecular disk layers where the turbulence is at its maximum. However, the effect of turbulence on the CO line profiles is minimal and difficult to distinguish from the thermal broadening. Conclusions. Viscous heating of the gas in the disk midplane outside the dead-zone is efficient. The determination of alpha from CO rotational line observations alone is challenging., Comment: accepted to A&A. 29 pages

We introduce a new modelling framework called FLiTs to simulate infrared line emission spectra from protoplanetary discs. This paper focuses on the mid-IR spectral region between 9.7 um to 40 um for T Tauri stars. The generated spectra contain several tens of thousands of molecular emission lines of H2O, OH, CO, CO2, HCN, C2H2, H2 and a few other molecules, as well as the forbidden atomic emission lines of SI, SII, SIII, SiII, FeII, NeII, NeIII, ArII and ArIII. In contrast to previously published works, we do not treat the abundances of the molecules nor the temperature in the disc as free parameters, but use the complex results of detailed 2D ProDiMo disc models concerning gas and dust temperature structure, and molecular concentrations. FLiTs computes the line emission spectra by ray tracing in an efficient, fast and reliable way. The results are broadly consistent with R=600 Spitzer/IRS observational data of T Tauri stars concerning line strengths, colour, and line ratios. In order to achieve that agreement, however, we need to assume either a high gas/dust mass ratio of order 1000, or the presence of illuminated disc walls at distances of a few au. The molecules in these walls cannot be photo-dissociated easily by UV because of the large densities in the walls which favour their re-formation. Most observable molecular emission lines are found to be optically thick, rendering a standard analysis with column densities difficult. We find that the difference between gas and dust temperatures in the disc surface is important for the line formation. We briefly discuss the effects of C/O ratio and choice of chemical rate network on these results. Our analysis offers new ways to infer the chemical and temperature structure of T Tauri discs from future JWST/MIRI observations, and to possibly detect secondary illuminated disc walls based on their specific mid-IR molecular signature., Comment: accepted by A&A, 13 figures, 4 tables

Measurements in the infrared wavelength domain allow us to assess directly the physical state and energy balance of cool matter in space, thus enabling the detailed study of the various processes that govern the formation and early evolution of stars and planetary systems in galaxies over cosmic time. Previous infrared missions, from IRAS to Herschel, have revealed a great deal about the obscured Universe, but sensitivity has been limited because up to now it has not been possible to fly a telescope that is both large and cold. SPICA is a mission concept aimed at taking the next step in mid- and far-infrared observational capability by combining a large and cold telescope with instruments employing state-of-the-art ultra-sensitive detectors. The mission concept foresees a 2.5-meter diameter telescope cooled to below 8 K. With cooling provided by mechanical coolers instead of depending on a limited cryogen supply, the mission lifetime can extend significantly beyond the required three years. SPICA offers instrumentation with spectral resolving powers ranging from R ~50 through 11000 in the 17-230 $\mu$m domain as well as R~28.000 spectroscopy between 12 and 18 $\mu$m. Additionally SPICA will provide efficient 30-37 $\mu$m broad band mapping, and polarimetric imaging in the 100-350 $\mu$m range. SPICA will provide unprecedented spectroscopic sensitivity of ~5 x $10^{-20}$ W/m$^2$ (5$\sigma$/1hr) - at least two orders of magnitude improvement over what has been attained to date. With this exceptional leap in performance, new domains in infrared astronomy will become accessible, allowing us, for example, to unravel definitively galaxy evolution and metal production over cosmic time, to study dust formation and evolution from very early epochs onwards, and to trace the formation history of planetary systems., Comment: 34 pages, 22 figures, paper accepted for publication in PASA on 2nd February 2018, part of the PASA SPICA Special Issue

The X-ray luminosities of T Tauri stars are about two to four orders of magnitude higher than the luminosity of the contemporary Sun. As these stars are born in clusters, their disks are not only irradiated by their parent star but also by an X-ray background field produced by the cluster members. We aim to quantify the impact of X-ray background fields produced by young embedded clusters on the chemical structure of disks. Further, we want to investigate the importance of the dust for X-ray radiative transfer in disks. We present a new X-ray radiative transfer module for the radiation thermo-chemical disk code ProDiMo, which includes X-ray scattering and absorption by both the gas and dust component. For the X-ray radiative transfer, we consider irradiation by the star and by X-ray background fields. To study the impact of X-rays on the chemical structure of disks we use the well-established disk ionization tracers N2H+ and HCO+. For evolved dust populations, X-ray opacities are mostly dominated by the gas; only for photon energies $E\gtrsim5-10\,$keV, dust opacities become relevant. Consequently, the local disk X-ray radiation field is only affected in dense regions close to the disk midplane. X-ray background fields can dominate the local X-ray disk ionization rate for disk radii $r\gtrsim20\,$au. However, the N2H+ and HCO+ column densities are only significantly affected in case of low cosmic-ray ionization rates, or if the background flux is at least a factor of ten higher than the flux level expected for clusters typical for the solar vicinity. Observable signatures of X-ray background fields in low-mass star-formation regions, like Taurus, are only expected for cluster members experiencing a strong X-ray background field. For the majority of the cluster members, the X-ray background field has only little impact on the disk chemical structure., Comment: 16 pages, 12 figures, accepted for publication in A&A

Accurate measurements of the physical structure of protoplanetary discs are critical inputs for planet formation models. These constraints are traditionally established via complex modelling of continuum and line observations. Instead, we present an empirical framework to locate the CO isotopologue emitting surfaces from high spectral and spatial resolution ALMA observations. We apply this framework to the disc surrounding IM Lupi, where we report the first direct, i.e. model independent, measurements of the radial and vertical gradients of temperature and velocity in a protoplanetary disc. The measured disc structure is consistent with an irradiated self-similar disc structure, where the temperature increases and the velocity decreases towards the disc surface. We also directly map the vertical CO snow line, which is located at about one gas scale height at radii between 150 and 300 au, with a CO freeze-out temperature of $21\pm2$ K. In the outer disc ($> 300$ au), where the gas surface density transitions from a power law to an exponential taper, the velocity rotation field becomes significantly sub-Keplerian, in agreement with the expected steeper pressure gradient. The sub-Keplerian velocities should result in a very efficient inward migration of large dust grains, explaining the lack of millimetre continuum emission outside of 300 au. The sub-Keplerian motions may also be the signature of the base of an externally irradiated photo-evaporative wind. In the same outer region, the measured CO temperature above the snow line decreases to $\approx$ 15 K because of the reduced gas density, which can result in a lower CO freeze-out temperature, photo-desorption, or deviations from local thermodynamic equilibrium., Comment: 11 pages, 10 figures, accepted for publication in A&A

Episodic accretion is an important process in the evolution of young stars and their environment. The observed strong luminosity bursts of young stellar objects likely have a long lasting impact on the chemical evolution of the disk and envelope structure. We want to investigate observational signatures of the chemical evolution in the post-burst phase for embedded sources. With such signatures it is possible to identify targets that experienced a recent luminosity burst. We present a new model for episodic accretion chemistry based on the 2D, radiation thermo-chemical disk code ProDiMo. We have extended ProDiMo with a proper treatment for envelope structures. For a representative Class I model, we calculated the chemical abundances in the post-burst phase and produced synthetic observables like intensity maps and radial profiles. During a burst many chemical species, like CO, sublimate from the dust surfaces. As the burst ends they freeze out again (post-burst phase). This freeze-out happens from inside-out due to the radial density gradient in the disk and envelope structure. This inside-out freeze-out produces clear observational signatures in spectral line emission, like rings and distinct features in the slope of radial intensity profiles. We fitted synthetic C18O J=2-1 observations with single and two component fits and find that post-burst images are much better matched by the latter. Comparing the quality of such fits allows identification of post-burst targets in a model-independent way. Our models confirm that it is possible to identify post-burst objects from spatially resolved CO observations. However, to derive proper statistics, like frequencies of bursts, from observations it is important to consider aspects like the inclination and structure of the target and also dust properties as those have a significant impact on the freeze-out timescale., Comment: 17 pages, 6 figures, 2 tables. Accepted for publication in A&A

At early stages of stellar evolution young stars show powerful jets and/or outflows that interact with protoplanetary discs and their surroundings. Despite the scarce knowledge about the interaction of jets and/or outflows with discs, spectroscopic studies based on Herschel and ISO data suggests that gas shocked by jets and/or outflows can be traced by far-IR (FIR) emission in certain sources. We want to provide a consistent catalogue of selected atomic ([OI] and [CII]) and molecular (CO, OH, and H$_{2}$O) line fluxes observed in the FIR, separate and characterize the contribution from the jet and the disc to the observed line emission, and place the observations in an evolutionary picture. The atomic and molecular FIR (60-190 $\rm \mu m$) line emission of protoplanetary discs around 76 T Tauri stars located in Taurus are analysed. The observations were carried out within the Herschel key programme Gas in Protoplanetary Systems (GASPS). The spectra were obtained with the Photodetector Array Camera and Spectrometer (PACS). The sample is first divided in outflow and non-outflow sources according to literature tabulations. With the aid of archival stellar/disc and jet/outflow tracers and model predictions (PDRs and shocks), correlations are explored to constrain the physical mechanisms behind the observed line emission. The much higher detection rate of emission lines in outflow sources and the compatibility of line ratios with shock model predictions supports the idea of a dominant contribution from the jet/outflow to the line emission, in particular at earlier stages of the stellar evolution as the brightness of FIR lines depends in large part on the specific evolutionary stage. [Abridged Abstract], Comment: 37 pages, 27 figures, accepted for publication in A&A

Anomalies in the abundance measurements of short lived radionuclides in meteorites indicate that the protosolar nebulae was irradiated by a high amount of energetic particles (E$\gtrsim$10 MeV). The particle flux of the contemporary Sun cannot explain these anomalies. However, similar to T Tauri stars the young Sun was more active and probably produced enough high energy particles to explain those anomalies. We want to study the interaction of stellar energetic particles with the gas component of the disk and identify possible observational tracers of this interaction. We use a 2D radiation thermo-chemical protoplanetary disk code to model a disk representative for T Tauri stars. We use a particle energy distribution derived from solar flare observations and an enhanced stellar particle flux proposed for T Tauri stars. For this particle spectrum we calculate the stellar particle ionization rate throughout the disk with an accurate particle transport model. We study the impact of stellar particles for models with varying X-ray and cosmic-ray ionization rates. We find that stellar particle ionization has a significant impact on the abundances of the common disk ionization tracers HCO$^+$ and N$_2$H$^+$, especially in models with low cosmic-ray ionization rates. In contrast to cosmic rays and X-rays, stellar particles cannot reach the midplane of the disk. Therefore molecular ions residing in the disk surface layers are more affected by stellar particle ionization than molecular ions tracing the cold layers/midplane of the disk. Spatially resolved observations of molecular ions tracing different vertical layers of the disk allow to disentangle the contribution of stellar particle ionization from other competing ionization sources. Modeling such observations with a model like the one presented here allows to constrain the stellar particle flux in disks around T Tauri stars., Comment: 15 pages, 11 figures, 5 tables. Accepted for publication in A&A

The physical properties of brown dwarf discs, in terms of their shapes and sizes, are still largely unexplored by observations. To what extent brown dwarf discs are similar to scaled-down T Tauri discs is currently unknown, and this work is a step towards establishing a relationship through the eventual modelling of future observations. We use observations of the brown dwarf disc $\rho$ Oph 102 to infer a fiducial model around which we build a small grid of brown dwarf disc models, in order to model the CO, HCN, and HCO+ line fluxes and the chemistry which drives their abundances. These are the first brown dwarf models to be published which relate detailed, 2D radiation thermochemical disc models to observational data. We predict that moderately extended ALMA antenna configurations will spatially resolve CO line emission around brown dwarf discs, and that HCN and HCO+ will be detectable in integrated flux, following our conclusion that the flux ratios of these molecules to CO emission are comparable to that of T Tauri discs. These molecules have not yet been observed in sub-mm wavelengths in a brown dwarf disc, yet they are crucial tracers of the warm surface-layer gas and of ionization in the outer parts of the disc. We present the prediction that if the physical and chemical processes in brown dwarf discs are similar to those that occur in T Tauri discs -- as our models suggest -- then the same diagnostics that are used for T Tauri discs can be used for brown dwarf discs (such as HCN and HCO+ lines that have not yet been observed in the sub-mm), and that these lines should be observable with ALMA. Through future observations, either confirmation (or refutation) of these ideas about brown dwarf disc chemistry will have strong implications for our understanding of disc chemistry, structure, and subsequent planet formation in brown dwarf discs., Comment: Accepted for publication in A&A. 11 pages, 10 figures, 3 tables