Gaël Rouillé

Context. The diffuse interstellar bands (DIBs) at 9577 and 9632 Å are attributed to electronic transitions of the C ₆₀ ⁺ fullerene ion; thus, its column density in molecular clouds may be inferred. A comparison with the column density of the neutral C ₆₀ fullerene makes it possible to determine local physical conditions in the clouds. Aims. We aim to detect absorption lines of neutral C ₆₀ in the visible spectra of stars toward interstellar clouds. Methods. We searched for the γ ₀ , A ₀ , and A ₁ absorption bands of C ₆₀ near 6070 Å, 4024 Å, and 3980 Å using the Potsdam Echelle Polarimetric and Spectroscopic Instrument at the Large Binocular Telescope. We measured spectra toward eight background stars including BD+31°643. Results. None of the γ ₀ , A ₀ , and A ₁ absorption bands of C ₆₀ were detected in our spectra. Toward BD+31°643, we determine an upper limit of (14 ± 11) × 10 ¹² cm ⁻² for the column density of C ₆₀ , and values in the range of 10 ¹² −10 ¹⁴ cm ⁻² toward other stars. Using literature data for C ₆₀ ⁺ , we derive upper limits of 0.8–3.8 for the C ₆₀ :C ₆₀ ⁺ column density ratios. Conclusions. The non-detection of the γ ₀ absorption band toward BD+31°643 is in conflict with a measurement employing infrared (IR) emission bands of C ₆₀ . The discrepancy may indicate that free C ₆₀ molecules are not the source of the observed IR emission bands toward the star and that the IR emission arises from C ₆₀ molecules in dust grains instead. Alternatively, the oscillator strength of the γ ₀ band may not be well constrained from the laboratory measurements.

Context.Mid-infrared emission features are important probes of the properties of ionized gas and hot or warm molecular gas, which are difficult to probe at other wavelengths. The Orion Bar photodissociation region (PDR) is a bright, nearby, and frequently studied target containing large amounts of gas under these conditions. Under the “PDRs4All” Early Release Science Program for JWST, a part of the Orion Bar was observed with MIRI integral field unit (IFU) spectroscopy, and these high-sensitivity IR spectroscopic images of very high angular resolution (0.2″) provide a rich observational inventory of the mid-infrared (MIR) emission lines, while resolving the HIIregion, the ionization front, and multiple dissociation fronts.Aims.We list, identify, and measure the most prominent gas emission lines in the Orion Bar using the new MIRI IFU data. An initial analysis summarizes the physical conditions of the gas and demonstrates the potential of these new data and future IFU observations with JWST.Methods.The MIRI IFU mosaic spatially resolves the substructure of the PDR, its footprint cutting perpendicularly across the ionization front and three dissociation fronts. We performed an up-to-date data reduction, and extracted five spectra that represent the ionized, atomic, and molecular gas layers. We identified the observed lines through a comparison with theoretical line lists derived from atomic data and simulated PDR models. The identified species and transitions are summarized in the main table of this work, with measurements of the line intensities and central wavelengths.Results.We identified around 100 lines and report an additional 18 lines that remain unidentified. The majority consists of HIrecombination lines arising from the ionized gas layer bordering the PDR. The HIline ratios are well matched by emissivity coefficients from H recombination theory, but deviate by up to 10% because of contamination by HeIlines. We report the observed emission lines of various ionization stages of Ne, P, S, Cl, Ar, Fe, and Ni. We show how the NeIII/NeII, SIV/SIII, and ArIII/ArIIratios trace the conditions in the ionized layer bordering the PDR, while FeIII/FeIIand NiIII/NiIIexhibit a different behavior, as there are significant contributions to FeIIand NiIIfrom the neutral PDR gas. We observe the pure-rotational H₂lines in the vibrational ground state from 0–0S(1) to 0–0S(8), and in the first vibrationally excited state from 1–1S(5) to 1–1 S(9). We derive H₂excitation diagrams, and for the three observed dissociation fronts, the rotational excitation can be approximated with one thermal (~700 K) component representative of an average gas temperature, and one nonthermal component (~2700 K) probing the effect of UV pumping. We compare these results to an existing model of the Orion Bar PDR, and find that the predicted excitation matches the data qualitatively, while adjustments to the parameters of the PDR model are required to reproduce the intensity of the 0–0 S (6) to S (8) lines.

Context. JWST has taken the sharpest and most sensitive infrared (IR) spectral imaging observations ever of the Orion Bar photodis-sociation region (PDR), which is part of the nearest massive star-forming region the Orion Nebula, and often considered to be the ‘prototypical’ strongly illuminated PDR. Aims. We investigate the impact of radiative feedback from massive stars on their natal cloud and focus on the transition from the H II region to the atomic PDR – crossing the ionisation front (IF) –, and the subsequent transition to the molecular PDR – crossing the dissociation front (DF). Given the prevalence of PDRs in the interstellar medium and their dominant contribution to IR radiation, understanding the response of the PDR gas to far-ultraviolet (FUV) photons and the associated physical and chemical processes is fundamental to our understanding of star and planet formation and for the interpretation of any unresolved PDR as seen by JWST. Methods. We used high-resolution near-IR integral field spectroscopic data from NIRSpec on JWST to observe the Orion Bar PDR as part of the PDRs4All JWST Early Release Science programme. We constructed a 3″ × 25″’ spatio-spectral mosaic covering 0.97– 5.27 μm at a spectral resolution R of ~2700 and an angular resolution of 0.075″–0.173″. To study the properties of key regions captured in this mosaic, we extracted five template spectra in apertures centred on the three H₂ dissociation fronts, the atomic PDR, and the H II region. This wealth of detailed spatial-spectral information was analysed in terms of variations in the physical conditions-incident UV field, density, and temperature – of the PDR gas. Results. The NIRSpec data reveal a forest of lines including, but not limited to, He I, H I , and C I recombination lines; ionic lines (e.g. Fe III and Fe II); O I and N I fluorescence lines; aromatic infrared bands (AIBs, including aromatic CH, aliphatic CH, and their CD counterparts); pure rotational and ro-vibrational lines from H₂; and ro-vibrational lines from HD, CO, and CH⁺, with most of them having been detected for the first time towards a PDR. Their spatial distribution resolves the H and He ionisation structure in the Huygens region, gives insight into the geometry of the Bar, and confirms the large-scale stratification of PDRs. In addition, we observed numerous smaller-scale structures whose typical size decreases with distance from θ¹ Ori C and IR lines from C I , if solely arising from radiative recombination and cascade, reveal very high gas temperatures (a few 1000 K) consistent with the hot irradiated surface of small-scale dense clumps inside the PDR. The morphology of the Bar, in particular that of the H₂ lines, reveals multiple prominent filaments that exhibit different characteristics. This leaves the impression of a ‘terraced’ transition from the predominantly atomic surface region to the CO-rich molecular zone deeper in. We attribute the different characteristics of the H₂ filaments to their varying depth into the PDR and, in some cases, not reaching the C⁺/C/CO transition. These observations thus reveal what local conditions are required to drive the physical and chemical processes needed to explain the different characteristics of the DFs and the photochemical evolution of the AIB carriers. Conclusions. This study showcases the discovery space created by JWST to further our understanding of the impact radiation from young stars has on their natal molecular cloud and proto-planetary disk, which touches on star and planet formation as well as galaxy evolution.

Context.Extraordinary observations of the Orion Bar by JWST have shown, for the first time, the incredible richness of polycyclic aromatic hydrocarbon (PAH) emission bands and their variation on very small scales. These variations are the result of photochemical evolution of the PAH carrier.Aims.We aim to probe the photochemical evolution of PAHs across the key zones of the ideal photodissociation region (PDR) that is the Orion Bar using unsupervised machine learning.Methods.We used JWST NIRSpec IFU and MIRI MRS observations of the Orion Bar from the JWST Early Release Science programme PDRs4All (ID: 1288). We levered bisectingk-means clustering to generate highly detailed spatial maps of the spectral variability in the 3.2–3.6, 5.95–6.6, 7.25–8.95, and 10.9–11.63 μm wavelength regions. We analysed and subsequently described the variations in the cluster profiles and connected them to the conditions of the physical locations from which they arise. We interpreted the origin of the observed variations with respect to the following key zones: the HIIregion, the atomic PDR zone, and the layers of the molecular PDR zone stratified by the first, second, and third dissociation fronts (DF 1, DF 2, and DF 3, respectively).Results.Observed PAH emission exhibits spectral variation that is highly dependent on the spatial position in the PDR. We find the 8.6 μm band to behave differently than all other bands, which vary systematically with one another. Notably, we find a uniform variation in the 3.4–3.6 μm bands and 3.4/3.3 intensity ratio. We attribute the carrier of the 3.4–3.6 μm bands to a single side group attached to very similarly sized PAHs. Further, cluster profiles reveal a transition between characteristic profile classes of the 11.2 μm feature from the atomic to the molecular PDR zones. We find the carriers of each of the profile classes to be independent, and reason the latter to be PAH clusters existing solely deep in the molecular PDR. Clustering also reveals a connection between the 11 .2 and 6.2 μm bands and that clusters generated from variation in the 10.9–11.63 μm region can be used to recover those in the 5.95–6.6 μm region.Conclusions.Clustering is a powerful and comprehensive tool for characterising PAH spectral variability on both spatial and spectral scales. For individual bands as well as global spectral behaviours, we find ultraviolet processing to be the most important driver of the evolution of PAHs and their spectral signatures in the Orion Bar PDR.

Context. Interstellar dust particles, in particular carbonaceous nano-grains (like polycyclic aromatic hydrocarbons, fullerenes, and amorphous hydrogenated carbon), are critical players for the composition, energy budget, and dynamics of the interstellar medium (ISM). The dust properties, specifically the composition and size of dust grains are not static; instead, they exhibit considerable evolution triggered by variations in local physical conditions such as the density and gas temperature within the ISM, as is the case in photon-dominated regions (PDRs). The evolution of dust and its impact on the local physical and chemical conditions is thus a key question for understanding the first stages of star formation. Aims. From the extensive spectral and imaging data of the JWST PDRs4All program, we study the emission of dust grains within the Orion Bar – a well-known, highly far-UV (FUV)-irradiated PDR situated at the intersection between cold, dense molecular clouds, and warm ionized regions. The Orion Bar because of its edge-on geometry provides an exceptional benchmark for characterizing dust evolution and the associated driving processes under varying physical conditions. Our goal is to constrain the local properties of dust by comparing its emission to models. Taking advantage of the recent JWST data, in particular the spectroscopy of dust emission, we identify new constraints on dust and further previous works of dust modelling. Methods. To characterize interstellar dust across the Orion Bar, we follow its emission as traced by JWST NIRCam (at 3.35 and 4.8 μm) and MIRI (at 7.7, 11.3, 15.0, and 25.5 μm) broad band images, along with NIRSpec and MRS spectroscopic observations. First, we constrain the minimum size and hydrogen content of carbon nano-grains from a comparison between the observed dust emission spectra and the predictions of the Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS) coupled to the numerical code DustEM. Using this dust model, we then perform 3D radiative transfer simulations of dust emission with the SOC code (Scattering with OpenCL) and compare to data obtained along well chosen profiles across the Orion Bar. Results. The JWST data allows us, for the first time, to spatially resolve the steep variation of dust emission at the illuminated edge of the Orion Bar PDR. By considering a dust model with carbonaceous nano-grains and submicronic coated silicate grains, we derive unprecedented constraints on the properties of across the Orion Bar. To explain the observed emission profiles with our simulations, we find that the nano-grains must be strongly depleted with an abundance (relative to the gas) 15 times less than in the diffuse ISM. The NIRSpec and MRS spectroscopic observations reveal variations in the hydrogenation of the carbon nano-grains. The lowest hydrogenation levels are found in the vicinity of the illuminating stars suggesting photo-processing while more hydrogenated nano-grains are found in the cold and dense molecular region, potentially indicative of larger grains.

Reports on the detection of carbonates in planetary nebulae (PNe) and protostars have suggested the existence of a mechanism that produces these compounds in stellar winds and outflows. A subsequent laboratory study has reported a possible mechanism by presenting the non-thermodynamic-equilibrium (TE), gas-phase condensation of amorphous silicate grains with amorphous calcium carbonate inclusions. The authors concluded that water vapor was necessary for the formation of the carbonates. We present a laboratory study with pulsed laser ablation of a MgSi target in O₂ and CO₂ gases and report, in the absence of water vapor, the non-TE, gas-phase condensation of amorphous carbonated magnesium silicate dust. It consists of amorphous silicate grains with the formula MgSiO₃, which comprise carbonate groups homogeneously dispersed in their structure. The IR spectra of the grains show the characteristic bands of amorphous silicates and two bands at ∼6.3 and ∼7.0 μm, which we assign to the carbonate groups. The silicate bands are not significantly affected at an estimated Si:C ratio of 9:1–9:2. Such grains could form in winds and outflows of evolved stars and PNe if C atoms are present during silicate condensation. Additionally, we find that Lyα radiation dissociates the carbonate groups at the surface of the carbonated silicate grains and we estimate the corresponding photodissociation cross section of (0.04 ± 0.02) ×10⁻¹⁶ cm². Therefore, photodissociation would limit the formation of carbonate groups on grains in winds and outflows of stars emitting vacuum ultraviolet photons, and the carbonates observed in protostars have not formed by gas-phase condensation.

The diffusion of water molecules through mesoporous dust of amorphous carbon (a-C) is a key process in the evolution of prestellar, protostellar, and protoplanetary dust, as well as in that of comets. It also plays a role in the formation of planets. Given the absence of data on this process, we experimentally studied the isothermal diffusion of water molecules desorbing from water ice buried at the bottom of a mesoporous layer of aggregated a-C nanoparticles, a material analogous to protostellar and cometary dust. We used infrared spectroscopy to monitor diffusion in low temperature (160 to 170 K) and pressure (6 × 10⁻⁵ to 8 × 10⁻⁴ Pa) conditions. Fick’s first law of diffusion allowed us to derive diffusivity values on the order of 10⁻² cm² s⁻¹, which we linked to Knudsen diffusion. Water vapor molecular fluxes ranged from 5 × 10¹² to 3 × 10¹⁴ cm⁻² s⁻¹ for thicknesses of the ice-free porous layer ranging from 60 to 1900 nm. Assimilating the layers of nanoparticles to assemblies of spheres, we attributed to this cosmic dust analog of porosity 0.80−0.90 a geometry correction factor, similar to the tortuosity factor of tubular pore systems, between 0.94 and 2.85. Applying the method to ices and refractory particles of other compositions will provides us with other useful data.