| 1. |
- Albert, Damien, et al.
(författare)
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A Decade with VAMDC : Results and Ambitions
- 2020
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Ingår i: Atoms. - : MDPI. - 2218-2004. ; 8:4
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Tidskriftsartikel (refereegranskat)abstract
- This paper presents an overview of the current status of the Virtual Atomic and Molecular Data Centre (VAMDC) e-infrastructure, including the current status of the VAMDC-connected (or to be connected) databases, updates on the latest technological development within the infrastructure and a presentation of some application tools that make use of the VAMDC e-infrastructure. We analyse the past 10 years of VAMDC development and operation, and assess their impact both on the field of atomic and molecular (A&M) physics itself and on heterogeneous data management in international cooperation. The highly sophisticated VAMDC infrastructure and the related databases developed over this long term make them a perfect resource of sustainable data for future applications in many fields of research. However, we also discuss the current limitations that prevent VAMDC from becoming the main publishing platform and the main source of A&M data for user communities, and present possible solutions under investigation by the consortium. Several user application examples are presented, illustrating the benefits of VAMDC in current research applications, which often need the A&M data from more than one database. Finally, we present our vision for the future of VAMDC.
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| 2. |
- Bulut, N., et al.
(författare)
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Gas phase Elemental abundances in Molecular cloudS (GEMS): III. Unlocking the CS chemistry: The CS+O reaction
- 2021
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Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 646
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Tidskriftsartikel (refereegranskat)abstract
- Context. Carbon monosulphide (CS) is among the most abundant gas-phase S-bearing molecules in cold dark molecular clouds. It is easily observable with several transitions in the millimeter wavelength range, and has been widely used as a tracer of the gas density in the interstellar medium in our Galaxy and external galaxies. However, chemical models fail to account for the observed CS abundances when assuming the cosmic value for the elemental abundance of sulfur. Aims. The CS+O → CO + S reaction has been proposed as a relevant CS destruction mechanism at low temperatures, and could explain the discrepancy between models and observations. Its reaction rate has been experimentally measured at temperatures of 150-400 K, but the extrapolation to lower temperatures is doubtful. Our goal is to calculate the CS+O reaction rate at temperatures <150 K which are prevailing in the interstellar medium. Methods. We performed ab initio calculations to obtain the three lowest potential energy surfaces (PES) of the CS+O system. These PESs are used to study the reaction dynamics, using several methods (classical, quantum, and semiclassical) to eventually calculate the CS + O thermal reaction rates. In order to check the accuracy of our calculations, we compare the results of our theoretical calculations for T ~ 150-400 K with those obtained in the laboratory. Results. Our detailed theoretical study on the CS+O reaction, which is in agreement with the experimental data obtained at 150-400 K, demonstrates the reliability of our approach. After a careful analysis at lower temperatures, we find that the rate constant at 10 K is negligible, below 10-15 cm s-1, which is consistent with the extrapolation of experimental data using the Arrhenius expression. Conclusions. We use the updated chemical network to model the sulfur chemistry in Taurus Molecular Cloud 1 (TMC 1) based on molecular abundances determined from Gas phase Elemental abundances in Molecular CloudS (GEMS) project observations. In our model, we take into account the expected decrease of the cosmic ray ionization rate, ζH2, along the cloud. The abundance of CS is still overestimated when assuming the cosmic value for the sulfur abundance.
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| 3. |
- Manigand, S., et al.
(författare)
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The ALMA-PILS survey: First detection of the unsaturated 3-carbon molecules Propenal (C2H3CHO) and Propylene (C3H6) towards IRAS 16293-2422 B
- 2021
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Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 645
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Tidskriftsartikel (refereegranskat)abstract
- Context. Complex organic molecules with three carbon atoms are found in the earliest stages of star formation. In particular, propenal (C2H3CHO) is a species of interest due to its implication in the formation of more complex species and even biotic molecules. Aims. This study aims to search for the presence of C2H3CHO and other three-carbon species such as propylene (C3H6) in the hot corino region of the low-mass protostellar binary IRAS 16293-2422 to understand their formation pathways. Methods. We use ALMA observations in Band 6 and 7 from various surveys to search for the presence of C3H6 and C2H3CHO towards the protostar IRAS 16293-2422 B (IRAS 16293B). The identification of the species and the estimates of the column densities and excitation temperatures are carried out by modeling the observed spectrum under the assumption of local thermodynamical equilibrium. Results. We report the detection of both C3H6 and C2H3CHO towards IRAS 16293B, however, no unblended lines were found towards the other component of the binary system, IRAS 16293A. We derive column density upper limits for C3H8, HCCCHO, n-C3H7OH, i-C3H7OH, C3O, and cis-HC(O)CHO towards IRAS 16293B. We then use a three-phase chemical model to simulate the formation of these species in a typical prestellar environment followed by its hydrodynamical collapse until the birth of the central protostar. Different formation paths, such as successive hydrogenation and radical-radical additions on grain surfaces, are tested and compared to the observational results in a number of different simulations, to assess which are the dominant formation mechanisms in the most embedded region of the protostar. Conclusions. The simulations reproduce the abundances within one order of magnitude from those observed towards IRAS 16293B, with the best agreement found for a rate of 10-12 cm3 s-1 for the gas-phase reaction C3 + O → C2 + CO. Successive hydrogenations of C3, HC(O)CHO, and CH3OCHO on grain surfaces are a major and crucial formation route of complex organics molecules, whereas both successive hydrogenation pathways and radical-radical addition reactions contribute to the formation of C2H5CHO.
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| 4. |
- Navarro-Almaida, D., et al.
(författare)
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Gas phase Elemental abundances in Molecular cloudS (GEMS): II. On the quest for the sulphur reservoir in molecular clouds: the H2S case
- 2020
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Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 637
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Tidskriftsartikel (refereegranskat)abstract
- Context. Sulphur is one of the most abundant elements in the Universe. Surprisingly, sulphuretted molecules are not as abundant as expected in the interstellar medium and the identity of the main sulphur reservoir is still an open question. Aims. Our goal is to investigate the H2S chemistry in dark clouds, as this stable molecule is a potential sulphur reservoir. Methods. Using millimeter observations of CS, SO, H2S, and their isotopologues, we determine the physical conditions and H2S abundances along the cores TMC 1-C, TMC 1-CP, and Barnard 1b. The gas-grain model NAUTILUS is used to model the sulphur chemistry and explore the impact of photo-desorption and chemical desorption on the H2S abundance. Results. Our modeling shows that chemical desorption is the main source of gas-phase H2S in dark cores. The measured H2S abundance can only be fitted if we assume that the chemical desorption rate decreases by more than a factor of 10 when n(H) > 2 x 10(4). This change in the desorption rate is consistent with the formation of thick H2O and CO ice mantles on grain surfaces. The observed SO and H2S abundances are in good agreement with our predictions adopting an undepleted value of the sulphur abundance. However, the CS abundance is overestimated by a factor of 5-10. Along the three cores, atomic S is predicted to be the main sulphur reservoir. Conclusions. The gaseous H2S abundance is well reproduced, assuming undepleted sulphur abundance and chemical desorption as the main source of H2S. The behavior of the observed H2S abundance suggests a changing desorption efficiency, which would probe the snowline in these cold cores. Our model, however, highly overestimates the observed gas-phase CS abundance. Given the uncertainty in the sulphur chemistry, we can only conclude that our data are consistent with a cosmic elemental S abundance with an uncertainty of a factor of 10.
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| 5. |
- Rodríguez-Baras, M., et al.
(författare)
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Gas phase Elemental abundances in Molecular cloudS (GEMS): IV. Observational results and statistical trends
- 2021
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Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 648
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Tidskriftsartikel (refereegranskat)abstract
- Gas phase Elemental abundances in Molecular CloudS (GEMS) is an IRAM 30 m Large Program designed to provide estimates of the S, C, N, and O depletions and gas ionization degree, X(e-), in a selected set of star-forming filaments of Taurus, Perseus, and Orion. Our immediate goal is to build up a complete and large database of molecular abundances that can serve as an observational basis for estimating X(e-) and the C, O, N, and S depletions through chemical modeling. We observed and derived the abundances of 14 species (13CO, C18O, HCO+, H13CO+, HC18O+, HCN, H13CN, HNC, HCS+, CS, SO, 34SO, H2S, and OCS) in 244 positions, covering the AV ~3 to ~100 mag, n(H2) ~ a few 103 to 106 cm-3, and Tk ~10 to ~30 K ranges in these clouds, and avoiding protostars, HII regions, and bipolar outflows. A statistical analysis is carried out in order to identify general trends between different species and with physical parameters. Relations between molecules reveal strong linear correlations which define three different families of species: (1) 13CO and C18O isotopologs; (2) H13CO+, HC18O+, H13 CN, and HNC; and (3) the S-bearing molecules. The abundances of the CO isotopologs increase with the gas kinetic temperature until TK ~ 15 K. For higher temperatures, the abundance remains constant with a scatter of a factor of ~3. The abundances of H13 CO+, HC18 O+, H13 CN, and HNC are well correlated with each other, and all of them decrease with molecular hydrogen density, following the law ∝ n(H2)-0.8 ± 0.2. The abundances of S-bearing species also decrease with molecular hydrogen density at a rate of (S-bearing/H)gas ∝ n(H2)-0.6 ± 0.1. The abundances of molecules belonging to groups 2 and 3 do not present any clear trend with gas temperature. At scales of molecular clouds, the C18O abundance is the quantity that better correlates with the cloud mass. We discuss the utility of the 13CO/C18O, HCO+/H13CO+, and H13 CO+/H13CN abundance ratios as chemical diagnostics of star formation in external galaxies.
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| 6. |
- Barnes, A. T., et al.
(författare)
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LEGO - II. A 3mm molecular line study covering 100 pc of one of the most actively star-forming portions within the Milky Way disc
- 2020
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Ingår i: Monthly Notices of the Royal Astronomical Society. - : Oxford University Press (OUP). - 0035-8711 .- 1365-2966. ; 497:2, s. 1972-2001
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Tidskriftsartikel (refereegranskat)abstract
- The current generation of (sub)mm-telescopes has allowed molecular line emission to become a major tool for studying the physical, kinematic, and chemical properties of extragalactic systems, yet exploiting these observations requires a detailed understanding of where emission lines originate within the Milky Way. In this paper, we present 60'' (similar to 3pc) resolution observations of many 3mm-band molecular lines across a large map of the W49 massive star-forming region (similar to 100x100pc at 11kpc), which were taken as part of the 'LEGO' IRAM-30m large project. We find that the spatial extent or brightness of the molecular line transitions are not well correlated with their critical densities, highlighting abundance and optical depth must be considered when estimating line emission characteristics. We explore how the total emission and emission efficiency (i.e. line brightness per H-2 column density) of the line emission vary as a function of molecular hydrogen column density and dust temperature. We find that there is not a single region of this parameter space responsible for the brightest and most efficiently emitting gas for all species. For example, we find that the HCN transition shows high emission efficiency at high column density (10(22)cm(-2)) and moderate temperatures (35K), whilst e.g. N2H+ emits most efficiently towards lower temperatures (10(22)cm(-2); <20K). We determine XCO(1-0)similar to 0.3 x 10(20)cm(-2)(Kkms(-1))(-1), and alpha(HCN(1-0))similar to 30M(circle dot)(Kkms(-1)pc(2))(-1), which both differ significantly from the commonly adopted values. In all, these results suggest caution should be taken when interpreting molecular line emission.
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| 7. |
- Navarro-Almaida, D., et al.
(författare)
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Evolutionary view through the starless cores in Taurus: Deuteration in TMC 1-C and TMC 1-CP
- 2021
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Ingår i: Astronomy and Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 653
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Tidskriftsartikel (refereegranskat)abstract
- Context. The chemical and physical evolution of starless and pre-stellar cores are of paramount importance to understanding the process of star formation. The Taurus Molecular Cloud cores TMC 1-C and TMC 1-CP share similar initial conditions and provide an excellent opportunity to understand the evolution of the pre-stellar core phase. Aims. We investigated the evolutionary stage of starless cores based on observations towards the prototypical dark cores TMC 1-C and TMC 1-CP. Methods. We mapped the prototypical dark cores TMC 1-C and TMC 1-CP in the CS 3 → 2, C34S 3 → 2, 13CS 2 → 1, DCN 1 → 0, DCN 2 → 1, DNC 1 → 0, DNC 2 → 1, DN13C 1 → 0, DN13C 2 → 1, N2H+ 1 → 0, and N2D+ 1 → 0 transitions. We performed a multi-transitional study of CS and its isotopologs, DCN, and DNC lines to characterize the physical and chemical properties of these cores. We studied their chemistry using the state-of-the-art gas-grain chemical code NAUTILUS and pseudo time-dependent models to determine their evolutionary stage. Results. The central nH volume density, the N2H+ column density, and the abundances of deuterated species are higher in TMC 1-C than in TMC 1-CP, yielding a higher N2H+ deuterium fraction in TMC 1-C, thus indicating a later evolutionary stage for TMC 1-C. The chemical modeling with pseudo time-dependent models and their radiative transfer are in agreement with this statement, allowing us to estimate a collapse timescale of ~1 Myr for TMC 1-C. Models with a younger collapse scenario or a collapse slowed down by a magnetic support are found to more closely reproduce the observations towards TMC 1-CP. Conclusions. Observational diagnostics seem to indicate that TMC 1-C is in a later evolutionary stage than TMC 1-CP, with a chemical age ~1 Myr. TMC 1-C shows signs of being an evolved core at the onset of star formation, while TMC 1-CP appears to be in an earlier evolutionary stage due to a more recent formation or, alternatively, a collapse slowed down by a magnetic support.
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