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Karine Demyk

Publications and source records attributed to Karine Demyk.

At least 19 recordsLinked to original sources

CosmicPAH-IRDB: A Web Application for Including Anharmonicity in Simulated PAH Spectra for Astrophysics

Advances in infrared observations with the James Webb Space Telescope (JWST) call for new tools to exploit the information associated with the Aromatic Infrared Bands (AIBs), now observed in both distant galaxies and the embryos of planetary systems. The AIBs contain information about their carriers as well as the excitation conditions, making them powerful probes of the chemical and physical conditions of their environments - if their spectral information can be decoded. While large datasets of theoretical infrared spectra are becoming available, efforts have primarily focused on the contribution of chemical diversity to the AIBs. However, the results remain limited by the impact of the excitation process on the band profiles. The AIB carriers, thought to be polycyclic aromatic hydrocarbons (PAHs), are hot molecules, which affects their spectral characteristics. We report here our approach to quantify these effects empirically by collecting IR spectra - both experimental and theoretical - and studying the evolution of band positions and widths with temperature. We present our methodology, including the development of the CosmicPAH-IRDB web application and spectral database, along with the associated cosmicPAHmfit multi-component spectral fitting tool. Our philosophy emphasizes open sharing, user-friendly access, and machine readability. The web application, tool and their update are accessible via the Cosmic PAH portal (https://cosmic-pah.irap.omp.eu/)

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Infrared spectroscopy of gas-phase hydrogenated and methylated pyrenes: from laboratory spectra to the simulated 3.4 $μ$m emission band

Observations of the aromatic infrared emission band at 3.3 $μ$m often reveal satellite emission features in the 3.4 - 3.6 $μ$m range. While the 3.3 $μ$m band is attributed to the CH stretching vibration of polycylic aromatic hydrocarbons (PAHs), the satellite bands - particularly its prominent 3.4 $μ$m component - is assigned to aliphatic CH stretching vibrations in hydrogenated and methylated PAH-like species. Our aim is to derive state-of-the-art infrared emission spectra for aliphatic-containing pyrene derivatives and compare them with astronomical observations. This will help refine our understanding of the contribution of these species to the 3.4 $μ$m emission band. Mid-infrared spectra (1.4-25 $μ$m) of gas-phase dihydropyrene, tehtrahydropyrene, hexahydropyrene methylated pyrene, and pyrene were recorded at temperatures ranging from 373 to 673 K, depending on the species. The band profiles were analyzed using a multi-component fitting tool, and empirical anharmonicity laws were derived to quantify the evolution of the band positions and widths with temperature. The obtained spectral data was combined with the results of a Monte Carlo emission model to simulate the emission spectra following UV-photon absorption, up to the dissociation limit ($\lesssim$6 eV). The resulting synthetic spectra were compared with James Webb Space Telescope observations of the Orion Bar region (PDRs4All program). Based on these state-of-the-art simulated spectra, we propose 1,2,3,6,7,8-hexahydropyrene as the carrier of the red component of the 3.4 $μ$m band observed at 3.403 $μ$m. While 1-methylpyrene may also contribute to the underlying emission plateau, its lack of a strong infrared band complicates detection in observed spectra, unlike hexahydropyrene. All experimental spectra and their temperature-dependent analyses are available in the new cosmicPAH-IRDB database.

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Chemical diversity of dense cores in Orion B: The role of the environment

Prestellar cores are the sites of the earliest stages of star formation. Dust continuum observations are often used to identify and characterize their properties yet only a small fraction of them was observed and studied in terms of their composition and dynamical status. We explore the chemical diversity of prestellar cores and protostellar cores residing in the Orion B giant molecular cloud selected on their dust continuum emission to provide an unbiased view of their line emission properties and how they vary as function of the core parameters and environment. We make use of the large scale maps of Orion B in 25 molecular lines from which we extract information for a sample of 1001 cores selected using positions extracted from \textit{Herschel} dust continuum observations. The main properties of the core sample are derived using the Principal Component Analysis and additional maps of physical parameters: column density $N_{\rm{H_2}}$, far-ultraviolet (FUV) radiation field $G_0$ and mean volume gas density $n$. Additional high spectral resolution observations of $\rm C^{18}O(1-0)$ serve to evaluate the dynamical status of cores. The average line width of the cores is larger than what is typically expected for prestellar cores of closer star forming regions, which suggests that cores in Orion B are subjected to stronger turbulence affecting their stability. The first factor of the PCA analysis explaining the variation of the detected line intensities is the core column density of molecular gas. The second factor explains how the core chemical composition is strictly linked to their environment, which can be traced by the ratio of the external FUV radiation field over the core volume density, $G_0/n$. The third factor explaining the core chemical diversity is the mean density along the core line of sight, which is also associated with freeze-out and fractionation signatures.

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Estimating the dense gas mass of molecular clouds using spatially unresolved 3 mm line observations

We aim to develop a new method to infer the sub-beam probability density function (PDF) of H2 column densities and the dense gas mass within molecular clouds using spatially unresolved observations of molecular emission lines in the 3 mm band. We model spatially unresolved line integrated intensity measurements as the average of an emission function weighted by the sub-beam column density PDF. The emission function, which expresses the line integrated intensity as a function of the gas column density, is an empirical fit to high resolution (< 0.05 pc) multi-line observations of the Orion B molecular cloud. The column density PDF is assumed to be parametric, composed of a lognormal distribution at moderate column densities and a power law distribution at higher column densities. To estimate the sub-beam column density PDF, the emission model is combined with a Bayesian inversion algorithm (the Beetroots code), which takes account of thermal noise and calibration errors. We validate our method by demonstrating that it recovers the true column density PDF of the Orion B cloud, reproducing the observed emission line integrated intensities. We apply the method to 12CO(J=1-0), 13CO(J=1-0), C18O(J=1-0), HCN(J=1-0), HCO+(J=1-0) and N2H+(J=1-0) observations of a 700 x 700 pc2 field of view (FoV) in the nearby galaxy M51. On average, the model reproduces the observed intensities within 30%. The column density PDFs obtained for the spiral arm region within our test FoV are dominated by a power-law tail at high column densities, with slopes that are consistent with gravitational collapse. Outside the spiral arm, the column density PDFs are predominantly lognormal, consistent with supersonic isothermal turbulence. We calculate the mass associated with the powerlaw tail of the column density PDFs and observe a strong, linear correlation between this mass and the 24$μ$m surface brightness.

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Tracers of the ionization fraction in dense and translucent molecular gas: II. Using mm observations to constrain ionization fraction across Orion B

The ionization fraction ($f_\mathrm{e}=n_\mathrm{e}/n_\mathrm{H}$) is a crucial parameter of interstellar gas, yet estimating it requires deep knowledge of molecular gas chemistry and observations of specific lines, such as those from isotopologs like HCO$^+$ and N$_2$H$^+$, which are detectable only in dense cores. Previous challenges in constraining $f_\mathrm{e}$ over large areas stemmed from the limitations of observational tracers and chemical models. Recent models have identified molecular line ratios that can trace $f_\mathrm{e}$ in different environments within molecular clouds. In this study, we analyze various molecular lines in the 3-4 mm range to derive the ionization fraction across the Orion B giant molecular cloud. We focus on dense and translucent gas, exploring variations with gas density ($n$) and the far-ultraviolet (FUV) radiation field ($G_0$). Our findings show that the ionization fraction ranges from $10^{-5.5}$ to $10^{-4}$ in translucent gas and $10^{-8}$ to $10^{-6}$ in dense gas. Notably, $f_\mathrm{e}$ is sensitive to $G_0$ in dense, UV-illuminated regions, decreasing with increasing volume density ($f_\mathrm{e} \propto n^{-0.227}$ for dense and $f_\mathrm{e} \propto n^{-0.3}$ for translucent gas) and increasing with $G_0$. In translucent gas, differing line ratios yield consistent fe values, indicating the importance of electron excitation of HCN and HNC. For dense gas, we recommend using the CN(1-0)/N$_2$H$^+$(1-0) ratio for upper limits on fe and C$^{18}$O(1-0)/HCO$^+$(1-0) for lower limits. In translucent environments, CCH(1-0)/HNC(1-0) effectively traces $f_\mathrm{e}$. The higher fe values in translucent gas align with the C$^+$/CI/CO transition, while values in dense gas are adequate for coupling with the magnetic field.

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Beetroots: spatially-regularized Bayesian inference of physical parameter maps -- Application to Orion

The current generation of millimeter receivers is able to produce cubes of 800 000 pixels by 200 000 frequency channels to cover several square degrees over the 3 mm atmospheric window. Estimating the physical conditions of the interstellar medium (ISM) with an astrophysical model on such datasets is challenging. Common approaches tend to converge to local minima and typically poorly reconstruct regions with low signal-to-noise ratio (S/N). This instrumental revolution thus calls for new scalable data analysis techniques. We present Beetroots, a Python software that performs Bayesian reconstruction of maps of physical conditions from observation maps and an astrophysical model. It relies on an accurate statistical model, exploits spatial regularization to guide estimations, and uses state-of-the-art algorithms. It also assesses the ability of the astrophysical model to explain the observations, providing feedback to improve ISM models. We demonstrate the power of Beetroots with the Meudon PDR code on synthetic data, and then apply it to estimate physical condition maps in the full Orion molecular cloud 1 (OMC-1) star forming region based on Herschel molecular line emission maps. The application to the synthetic case shows that Beetroots can currently analyse maps with up to ten thousand pixels, addressing large variations of S/N, escaping from local minima, and providing consistent uncertainty quantifications. On a laptop, the inference runtime ranges from a few minutes for 100-pixel maps to 28 hours for 8100-pixel maps. The results on the OMC-1 maps are consistent with independent estimations from the literature, and improve our understanding of the region. This work paves the way towards systematic and rigorous analyses of observations produced by current and future instruments.

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Toward a robust physical and chemical characterization of heterogeneous lines of sight: The case of the Horsehead nebula

Dense cold molecular cores/filaments are surrounded by an envelope of translucent gas. Some of the low-J emission lines of CO and HCO$^+$ isotopologues are more sensitive to the conditions either in the translucent environment or in the dense cold one. We propose a cloud model composed of three homogeneous slabs of gas along each line of sight (LoS), representing an envelope and a shielded inner layer. IRAM-30m data from the ORION-B large program toward the Horsehead nebula are used to demonstrate the method's capability. We use the non-LTE radiative transfer code RADEX to model the line profiles from the kinetic temperature $T_{kin}$, the volume density $n_{H_2}$, kinematics and chemical properties of the different layers. We then use a maximum likelihood estimator to simultaneously fit the lines of the CO and HCO$^+$ isotopologues. We constrain column density ratios to limit the variance on the estimates. This simple heterogeneous model provides good fits of the fitted lines over a large part of the cloud. The decomposition of the intensity into three layers allows to discuss the distribution of the estimated physical/chemical properties along the LoS. About 80$\%$ the CO integrated intensity comes from the envelope, while $\sim55\%$ of that of the (1-0) and (2-1) lines of C$^{18}$O comes from the inner layer. The $N(^{13}CO)/N(C^{18}O)$ in the envelope increases with decreasing $A_v$, and reaches $25$ in the pillar outskirts. The envelope $T_{kin}$ varies from 25 to 40 K, that of the inner layer drops to $\sim 15$ K in the western dense core. The inner layer $n_{H_2}$ is $\sim 3\times10^4\,\text{cm}^{-3}$ toward the filament and it increases by a factor $10$ toward dense cores. The proposed method correctly retrieves the physical/chemical properties of the Horsehead nebula and offers promising prospects for less supervised model fits of wider-field datasets.

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Quantifying the informativity of emission lines to infer physical conditions in giant molecular clouds. I. Application to model predictions

Observations of ionic, atomic, or molecular lines are performed to improve our understanding of the interstellar medium (ISM). However, the potential of a line to constrain the physical conditions of the ISM is difficult to assess quantitatively, because of the complexity of the ISM physics. The situation is even more complex when trying to assess which combinations of lines are the most useful. Therefore, observation campaigns usually try to observe as many lines as possible for as much time as possible. We search for a quantitative statistical criterion to evaluate the constraining power of a (or combination of) tracer(s) with respect to physical conditions in order to improve our understanding of the statistical relationships between ISM tracers and physical conditions and helps observers to motivate their observation proposals. The best tracers are obtained by comparing the mutual information between a physical parameter and different sets of lines. We apply this method to simulations of radio molecular lines emitted by a photodissociation region similar to the Horsehead Nebula that would be observed at the IRAM 30m telescope. We search for the best lines to constrain the visual extinction $A_v^{tot}$ or the far UV illumination $G_0$. The most informative lines change with the physical regime (e.g., cloud extinction). Short integration time of the CO isotopologue $J=1-0$ lines already yields much information on the total column density most regimes. The best set of lines to constrain the visual extinction does not necessarily combine the most informative individual lines. Precise constraints on $G_0$ are more difficult to achieve with molecular lines. They require spectral lines emitted at the cloud surface (e.g., [CII] and [CI] lines). This approach allows one to better explore the knowledge provided by ISM codes, and to guide future observation campaigns.

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THEMIS 2.0: A self-consistent model for dust extinction, emission, and polarisation

Recent observations in emission, extinction, and polarisation have at least partially invalidated most of the astronomical standard grain models for the diffuse ISM. Moreover, lab measurements on interstellar silicate analogues have shown differences with the optical properties used in these standard models. To address these issues, our objective is twofold: (i) to update the optical properties of silicates and (ii) to develop the THEMIS dust model to allow the calculation of polarised extinction and emission. Based on optical constants measured in the lab for amorphous silicates and on observational constraints in mid-IR extinction and X-ray scattering, we defined new optical constants for the THEMIS silicates. Absorption and scattering efficiencies for spheroidal grains were then derived with the discrete dipole approximation. These new optical properties make it possible to explain the dust emission and extinction, both total and polarised. The model is not yet pushed to its limits since it does not require the perfect alignment of all grains to explain the observations and it therefore has the potential to accommodate the highest polarisation levels inferred from extinction measures. Moreover, the dispersion of the optical properties of the different lab silicates naturally explain the variations in both the total and polarised emission and extinction observed in the diffuse ISM. A single, invariant model calibrated on one single set of observations is obsolete for explaining contemporary observations. We are proposing a completely flexible dust model based entirely on lab measurements that has the potential to make major advances in understanding the nature of ISM grains and how they evolve as a function of their environment. Even if challenging, this is also relevant for future missions that will aim to perform precise measurements of the CMB spectral distortions and polarisation.

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PDRs4All VIII: Mid-IR emission line inventory of the Orion Bar

Mid-infrared emission features probe the properties of ionized gas, and hot or warm molecular gas. The Orion Bar is a frequently studied photodissociation region (PDR) containing large amounts of gas under these conditions, and was observed with the MIRI IFU aboard JWST as part of the "PDRs4All" program. The resulting IR spectroscopic images of high angular resolution (0.2") reveal a rich observational inventory of mid-IR emission lines, and spatially resolve the substructure of the PDR, with a mosaic cutting perpendicularly across the ionization front and three dissociation fronts. We extracted five spectra that represent the ionized, atomic, and molecular gas layers, and measured the most prominent gas emission lines. An initial analysis summarizes the physical conditions of the gas and the potential of these data. We identified around 100 lines, report an additional 18 lines that remain unidentified, and measured the line intensities and central wavelengths. The H I recombination lines originating from the ionized gas layer bordering the PDR, have intensity ratios that are well matched by emissivity coefficients from H recombination theory, but deviate up to 10% due contamination by He I lines. We report the observed emission lines of various ionization stages of Ne, P, S, Cl, Ar, Fe, and Ni, and show how certain line ratios vary between the five regions. We observe the pure-rotational H$_2$ lines in the vibrational ground state from 0-0 S(1) to 0-0 S(8), and in the first vibrationally excited state from 1-1 S(5) to 1-1 S(9). We derive H$_2$ excitation diagrams, and approximate the excitation with one thermal (~700 K) component representative of an average gas temperature, and one non-thermal component (~2700 K) probing the effect of UV pumping. We compare these results to an existing model for the Orion Bar PDR and highlight the differences with the observations.

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Bias versus variance when fitting multi-species molecular lines with a non-LTE radiative transfer model

Robust radiative transfer techniques are requisite for efficiently extracting the physical and chemical information from molecular rotational lines.We study several hypotheses that enable robust estimations of the column densities and physical conditions when fitting one or two transitions per molecular species. We study the extent to which simplifying assumptions aimed at reducing the complexity of the problem introduce estimation biases and how to detect them.We focus on the CO and HCO+ isotopologues and analyze maps of a 50 square arcminutes field. We used the RADEX escape probability model to solve the statistical equilibrium equations and compute the emerging line profiles, assuming that all species coexist. Depending on the considered set of species, we also fixed the abundance ratio between some species and explored different values. We proposed a maximum likelihood estimator to infer the physical conditions and considered the effect of both the thermal noise and calibration uncertainty. We analyzed any potential biases induced by model misspecifications by comparing the results on the actual data for several sets of species and confirmed with Monte Carlo simulations. The variance of the estimations and the efficiency of the estimator were studied based on the Cram{é}r-Rao lower bound.Column densities can be estimated with 30% accuracy, while the best estimations of the volume density are found to be within a factor of two. Under the chosen model framework, the peak 12CO(1--0) is useful for constraining the kinetic temperature. The thermal pressure is better and more robustly estimated than the volume density and kinetic temperature separately. Analyzing CO and HCO+ isotopologues and fitting the full line profile are recommended practices with respect to detecting possible biases.Combining a non-local thermodynamic equilibrium model with a rigorous analysis of the accuracy allows us to obtain an efficient estimator and identify where the model is misspecified. We note that other combinations of molecular lines could be studied in the future.

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A far-ultraviolet-driven photoevaporation flow observed in a protoplanetary disk

Most low-mass stars form in stellar clusters that also contain massive stars, which are sources of far-ultraviolet (FUV) radiation. Theoretical models predict that this FUV radiation produces photo-dissociation regions (PDRs) on the surfaces of protoplanetary disks around low-mass stars, impacting planet formation within the disks. We report JWST and Atacama Large Millimetere Array observations of a FUV-irradiated protoplanetary disk in the Orion Nebula. Emission lines are detected from the PDR; modelling their kinematics and excitation allows us to constrain the physical conditions within the gas. We quantify the mass-loss rate induced by the FUV irradiation, finding it is sufficient to remove gas from the disk in less than a million years. This is rapid enough to affect giant planet formation in the disk.

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The magnetic field in the Flame nebula

Star formation is essential in galaxy evolution and the cycling of matter. The support of interstellar clouds against gravitational collapse by magnetic (B-) fields has been proposed to explain the low observed star formation efficiency in galaxies and the Milky Way. Despite the Planck satellite providing a 5-15' all-sky map of the B-field geometry in the diffuse interstellar medium, higher spatial resolution observations are required to understand the transition from diffuse gas to gravitationally unstable filaments. NGC 2024, the Flame Nebula, in the nearby Orion B molecular cloud, contains a young, expanding HII region and a dense filament that harbors embedded protostellar objects. Therefore, NGC 2024 is an excellent opportunity to study the role of B-fields in the formation, evolution, and collapse of filaments, as well as the dynamics and effects of young HII regions on the surrounding molecular gas. We combine new 154 and 216 micron dust polarization measurements carried out using the HAWC+ instrument aboard SOFIA with molecular line observations of 12CN(1-0) and HCO+(1-0) from the IRAM 30-meter telescope to determine the B-field geometry and to estimate the plane of the sky magnetic field strength across the NGC 2024. The HAWC+ observations show an ordered B-field geometry in NGC 2024 that follows the morphology of the expanding HII region and the direction of the main filament. The derived plane of the sky B-field strength is moderate, ranging from 30 to 80 micro G. The strongest B-field is found at the northern-west edge of the HII region, characterized by the highest gas densities and molecular line widths. In contrast, the weakest field is found toward the filament in NGC 2024. The B-field has a non-negligible influence on the gas stability at the edges of the expanding HII shell (gas impacted by the stellar feedback) and the filament (site of the current star formation).

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PDRs4All III: JWST's NIR spectroscopic view of the Orion Bar

(Abridged) We investigate the impact of radiative feedback from massive stars on their natal cloud and focus on the transition from the HII region to the atomic PDR (crossing the ionisation front (IF)), and the subsequent transition to the molecular PDR (crossing the dissociation front (DF)). We use 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 Program. The NIRSpec data reveal a forest of lines including, but not limited to, HeI, HI, and CI recombination lines, ionic lines, OI and NI fluorescence lines, Aromatic Infrared Bands (AIBs including aromatic CH, aliphatic CH, and their CD counterparts), CO2 ice, pure rotational and ro-vibrational lines from H2, and ro-vibrational lines HD, CO, and CH+, most of them 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. We observe numerous smaller scale structures whose typical size decreases with distance from Ori C and IR lines from CI, if solely arising from radiative recombination and cascade, reveal very high gas temperatures consistent with the hot irradiated surface of small-scale dense clumps deep inside the PDR. The H2 lines reveal multiple, prominent filaments which 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. 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.

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PDRs4All IV. An embarrassment of riches: Aromatic infrared bands in the Orion Bar

(Abridged) Mid-infrared observations of photodissociation regions (PDRs) are dominated by strong emission features called aromatic infrared bands (AIBs). The most prominent AIBs are found at 3.3, 6.2, 7.7, 8.6, and 11.2 $μ$m. The most sensitive, highest-resolution infrared spectral imaging data ever taken of the prototypical PDR, the Orion Bar, have been captured by JWST. We provide an inventory of the AIBs found in the Orion Bar, along with mid-IR template spectra from five distinct regions in the Bar: the molecular PDR, the atomic PDR, and the HII region. We use JWST NIRSpec IFU and MIRI MRS observations of the Orion Bar from the JWST Early Release Science Program, PDRs4All (ID: 1288). We extract five template spectra to represent the morphology and environment of the Orion Bar PDR. The superb sensitivity and the spectral and spatial resolution of these JWST observations reveal many details of the AIB emission and enable an improved characterization of their detailed profile shapes and sub-components. While the spectra are dominated by the well-known AIBs at 3.3, 6.2, 7.7, 8.6, 11.2, and 12.7 $μ$m, a wealth of weaker features and sub-components are present. We report trends in the widths and relative strengths of AIBs across the five template spectra. These trends yield valuable insight into the photochemical evolution of PAHs, such as the evolution responsible for the shift of 11.2 $μ$m AIB emission from class B$_{11.2}$ in the molecular PDR to class A$_{11.2}$ in the PDR surface layers. This photochemical evolution is driven by the increased importance of FUV processing in the PDR surface layers, resulting in a "weeding out" of the weakest links of the PAH family in these layers. For now, these JWST observations are consistent with a model in which the underlying PAH family is composed of a few species: the so-called 'grandPAHs'.

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PDRs4All II: JWST's NIR and MIR imaging view of the Orion Nebula

The JWST has captured the most detailed and sharpest infrared images ever taken of the inner region of the Orion Nebula, the nearest massive star formation region, and a prototypical highly irradiated dense photo-dissociation region (PDR). We investigate the fundamental interaction of far-ultraviolet photons with molecular clouds. The transitions across the ionization front (IF), dissociation front (DF), and the molecular cloud are studied at high-angular resolution. These transitions are relevant to understanding the effects of radiative feedback from massive stars and the dominant physical and chemical processes that lead to the IR emission that JWST will detect in many Galactic and extragalactic environments. Due to the proximity of the Orion Nebula and the unprecedented angular resolution of JWST, these data reveal that the molecular cloud borders are hyper structured at small angular scales of 0.1-1" (0.0002-0.002 pc or 40-400 au at 414 pc). A diverse set of features are observed such as ridges, waves, globules and photoevaporated protoplanetary disks. At the PDR atomic to molecular transition, several bright features are detected that are associated with the highly irradiated surroundings of the dense molecular condensations and embedded young star. Toward the Orion Bar PDR, a highly sculpted interface is detected with sharp edges and density increases near the IF and DF. This was predicted by previous modeling studies, but the fronts were unresolved in most tracers. A complex, structured, and folded DF surface was traced by the H2 lines. This dataset was used to revisit the commonly adopted 2D PDR structure of the Orion Bar. JWST provides us with a complete view of the PDR, all the way from the PDR edge to the substructured dense region, and this allowed us to determine, in detail, where the emission of the atomic and molecular lines, aromatic bands, and dust originate.

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Influence of grain growth on CO2 ice spectroscopic profiles : Modelling for dense cores and disks

Interstellar dust grain growth in dense clouds and protoplanetary disks, even moderate, affects the observed interstellar ice profiles as soon as a significant fraction of dust grains is in the size range close to the wave vector at the considered wavelength. The continuum baseline correction made prior to analysing ice profiles influences the subsequent analysis and hence the estimated ice composition, typically obtained by band fitting using thin film ice mixture spectra. We model the effect of grain growth on ice mantle spectroscopic profiles, focusing on CO2 to see how it can affect interstellar ice mantle spectral analysis and interpretation. Using the Discrete Dipole Approximation for Scattering and Absorption of Light, the mass absorption coefficients of distributions of grains composed of ellipsoidal silicate cores with water and carbon dioxide ice mantles are calculated. A few other ice mantle compositions are also calculated. We explore the size distribution evolution from dense clouds to simulate the first steps of grain growth up to three microns in size. The results are injected into RADMC-3D full scattering radiative transfer models of spherical clouds and protoplanetary disk templates to retrieve observable spectral energy distributions. We focus on calculated profile of the CO2 antisymmetric stretching mode ice band profile at 4.27 microns, a meaningful indicator of grain growth. The observed profiles toward dense cores with the Infrared space observatory and Akari satellites already showed profiles possibly indicative of moderate grain growth.The observation of protoplanetary disks at high inclination with the JWST should present distorted profiles that will put constraints on the extent of dust growth. The more evolved the dust size distribution, the more the extraction of the ice mantle composition will require both understanding and taking into account grain growth.

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Chemical exploration of Galactic cold cores

A solar-type system starts from an initial molecular core that acquires organic complexity as it evolves. The so-called prestellar cores that can be studied are rare, which has hampered our understanding of how organic chemistry sets in and grows. Aims. We selected the best prestellar core targets from the cold core catalogue that represent a diversity in terms of their environment to explore their chemical complexity: 1390 (in the compressed shell of Lambda Ori), 869 (in the MBM12 cloud), and 4149 (in the California nebula). We obtained a spectral survey with the IRAM 30 m telescope in order to explore the molecular complexity of the cores. We carried out a radiative transfer analysis of the detected transitions in order to place some constraints on the physical conditions of the cores and on the molecular column densities. We also used the molecular ions in the survey to estimate the cosmic-ray ionisation rate and the S/H initial elemental abundance using a gas-phase chemical model to reproduce their abundances. We found large differences in the molecular complexity (deuteration, complex organic molecules, sulphur, carbon chains, and ions) and compared their chemical properties with a cold core and two prestellar cores. The chemical diversity we found in the three cores seems to be correlated with their chemical evolution: two of them are prestellar (1390 and 4149), and one is in an earlier stage (869). The influence of the environment is likely limited because cold cores are strongly shielded from their surroundings. The high extinction prevents interstellar UV radiation from penetrating deeply into the cores. Higher spatial resolution observations of the cores are therefore needed to constrain the physical structure of the cores, as well as a larger-scale distribution of molecular ions to understand the influence of the environment on their molecular complexity.

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