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Complex nitriles, such as HC3N, and CH3CN, are observed in a wide variety of astrophysical environments, including at relatively high abundances in photon-dominated regions (PDR) and the UV exposed atmospheres of planet-forming disks. The latter have been inferred to be oxygen-poor, suggesting that these observations may be explained by organic chemistry in C-rich environments. In this study we first explore if the PDR complex nitrile observations can be explained by gas-phase PDR chemistry alone if the elemental C/O ratio is elevated. In the case of the Horsehead PDR, we find that gas-phase chemistry with C/O $\gtrsim$ 0.9 can indeed explain the observed nitrile abundances, increasing predicted abundances by several orders of magnitude compared to standard C/O assumptions. We also find that the nitrile abundances are sensitive to the cosmic ray ionization treatment, and provide constraints on the branching ratios between CH3CN and CH3NC productions. In a fiducial disk model, an elevated C/O ratio increases the CH3CN and HC3N productions by more than an order of magnitude, bringing abundance predictions within an order of magnitude to what has been inferred from observations. The C/O ratio appears to be a key variable in predicting and interpreting complex organic molecule abundances in photon-dominated regions across a range of scales., Comment: 15 pages, 7 figures, 2 tables, accepted for publication in ApJ

Snowlines of major volatiles regulate the gas and solid C/N/O ratios in the planet-forming midplanes of protoplanetary disks. Snow surfaces are the 2D extensions of snowlines in the outer disk regions, where radiative heating results in a decreasing temperature with disk height. CO and N$_2$ are two of the most abundant carriers of C, N and O. N$_2$H$^+$ can be used to probe the snow surfaces of both molecules, because it is destroyed by CO and formed from N$_2$. Here we present Atacama Large Millimeter/submillimeter Array (ALMA) observations of N$_2$H$^+$ at 0.2$''$-0.4$''$ resolution in the disks around LkCa 15, GM Aur, DM Tau, V4046 Sgr, AS 209, and IM Lup. We find two distinctive emission morphologies: N$_2$H$^+$ is either present in a bright, narrow ring surrounded by extended tenuous emission, or in a broad ring. These emission patterns can be explained by two different kinds of vertical temperature structures. Bright, narrow N$_2$H$^+$ rings are expected in disks with a thick Vertically Isothermal Region above the Midplane (VIRaM) layer (LkCa 15, GM Aur, DM Tau) where the N$_2$H$^+$ emission peaks between the CO and N$_2$ snowlines. Broad N$_2$H$^+$ rings come from disks with a thin VIRaM layer (V4046 Sgr, AS 209, IM Lup). We use a simple model to extract the first sets of CO and N$_2$ snowline pairs and corresponding freeze-out temperatures towards the disks with a thick VIRaM layer. The results reveal a range of N$_2$ and CO snowline radii towards stars of similar spectral type, demonstrating the need for empirically determined snowlines in disks., Comment: Accepted for publication in ApJ

CO is thought to be the main reservoir of volatile carbon in protoplanetary disks, and thus the primary initial source of carbon in the atmospheres of forming giant planets. However, recent observations of protoplanetary disks point towards low volatile carbon abundances in many systems, including at radii interior to the CO snowline. One potential explanation is that gas phase carbon is chemically reprocessed into less volatile species, which are frozen on dust grain surfaces as ice. This mechanism has the potential to change the primordial C/H ratio in the gas. However, current observations primarily probe the upper layers of the disk. It is not clear if the low volatile carbon abundances extend to the midplane, where planets form. We have run a grid of 198 chemical models, exploring how the chemical reprocessing of CO depends on disk mass, dust grain size distribution, temperature, cosmic ray and X-ray ionization rate, and initial water abundance. Building on our previous work focusing on the warm molecular layer, here we analyze the results for our grid of models in the disk midplane at 12 au. We find that either an ISM level cosmic ray ionization rate or the presence of UV photons due to a low dust surface density are needed to chemically reduce the midplane CO gas abundance by at least an order of magnitude within 1 Myr. In the majority of our models CO does not undergo substantial reprocessing by in situ chemistry and there is little change in the gas phase C/H and C/O ratios over the lifetime of the typical disk. However, in the small sub-set of disks where the disk midplane is subject to a source of ionization or photolysis, the gas phase C/O ratio increases by up to nearly 9 orders of magnitude due to conversion of CO into volatile hydrocarbons., Comment: Accepted for publication in ApJ, 15 pages, 10 figures, 3 tables

The nature and abundance of sulfur chemistry in protoplanetary disks (PPDs) may impact the sulfur inventory on young planets and therefore their habitability. PPDs also present an interesting test bed for sulfur chemistry models, since each disk present a diverse set of environments. In this context, we present new sulfur molecule observations in PPDs, and new S-disk chemistry models. With ALMA we observed the CS 5-4 rotational transition toward five PPDs (DM Tau, DO Tau, CI Tau, LkCa 15, MWC 480), and the CS 6-5 transition toward three PPDs (LkCa 15, MWC 480 and V4046 Sgr). Across this sample, CS displays a range of radial distributions, from centrally peaked, to gaps and rings. We also present the first detection in PPDs of $^{13}$CS 6-5 (LkCa 15 and MWC 480), C$^{34}$S 6-5 (LkCa 15), and H$_2$CS $8_{17}-7_{16}$, $9_{19}-8_{18}$ and $9_{18}-8_{17}$ (MWC 480) transitions. Using LTE models to constrain column densities and excitation temperatures, we find that either $^{13}$C and $^{34}$S are enhanced in CS, or CS is optically thick despite its relatively low brightness temperature. Additional lines and higher spatial resolution observations are needed to distinguish between these scenarios. Assuming CS is optically thin, CS column density model predictions reproduce the observations within a factor of a few for both MWC 480 and LkCa 15. However, the model underpredicts H$_2$CS by 1-2 orders of magnitude. Finally, comparing the H$_2$CS/CS ratio observed toward the MWC~480 disk and toward different ISM sources, we find the closest match with prestellar cores., Comment: 33 pages, 34 figures, accepted for publication in ApJ

Small hydrocarbons are an important organic reservoir in protostellar and protoplanetary environments. Constraints on desorption temperatures and binding energies of such hydrocarbons are needed for accurate predictions of where these molecules exist in the ice vs. gas-phase during the different stages of star and planet formation. Through a series of temperature programmed desorption (TPD) experiments, we constrain the binding energies of 2 and 3-carbon hydrocarbons (C$_{2}$H$_{2}$ - acetylene, C$_{2}$H$_{4}$ - ethylene, C$_{2}$H$_{6}$ - ethane, C$_{3}$H$_{4}$ - propyne, C$_{3}$H$_{6}$ - propene, and C$_{3}$H$_{8}$ - propane) to 2200-4200 K in the case of pure amorphous ices, to 2400-4400 K on compact amorphous H$_{2}$O, and to 2800-4700 K on porous amorphous H$_{2}$O. The 3-carbon hydrocarbon binding energies are always larger than the 2-carbon hydrocarbon binding energies. Within the 2- and 3-carbon hydrocarbon families, the alkynes (i.e., least-saturated) hydrocarbons exhibit the largest binding energies, while the alkane and alkene binding energies are comparable. Binding energies are $\sim$5-20% higher on water ice substrates compared to pure ices, which is a small increase compared to what has been measured for other volatile molecules such as CO and N$_{2}$. Thus in the case of hydrocarbons, H$_{2}$O has a less pronounced effect on sublimation front locations (i.e., snowlines) in protoplanetary disks., Comment: 12 pages, 15 figures. Accepted for publication in The Astrophysical Journal

Millimeter observations of CO gas in planetesimal belts show a high detection rate around A stars, but few detections for later type stars. We present the first CO detection in a planetesimal belt around an M star, TWA 7. The optically thin CO (J=3-2) emission is co-located with previously identified dust emission from the belt, and the emission velocity structure is consistent with Keplerian rotation around the central star. The detected CO is not well shielded against photodissociation, and must thus be continuously replenished by gas release from exocomets within the belt. We analyze in detail the process of exocometary gas release and destruction around young M dwarfs and how this process compares to earlier type stars. Taking these differences into account, we find that CO generation through exocometary gas release naturally explains the increasing CO detection rates with stellar luminosity, mostly because the CO production rate from the collisional cascade is directly proportional to stellar luminosity. More luminous stars will therefore on average host more massive (and hence more easily detectable) exocometary CO disks, leading to the higher detection rates observed. The current CO detection rates are consistent with a ubiquitous release of exocometary gas in planetesimal belts, independent of spectral type., Comment: 11 pages, 3 figures; Accepted for publication in AJ

We present an analysis of ALMA 1.25 millimeter continuum observations of spiral structures in three protoplanetary disks from the Disk Substructures at High Angular Resolution Project. The disks around Elias 27, IM Lup, and WaOph 6 were observed at a resolution of $\sim40-60$ mas ($\sim6-7$ au). All three disks feature $m=2$ spiral patterns in conjunction with annular substructures. Gas kinematics established by $^{12}$CO $J=2-1$ observations indicate that the continuum spiral arms are trailing. The arm-interarm intensity contrasts are modest, typically less than 3. The Elias 27 spiral pattern extends throughout much of the disk, and the arms intersect the gap at $R\sim69$ au. The spiral pattern in the IM Lup disk is particularly complex-it extends about halfway radially through the disk, exhibiting pitch angle variations with radius and interarm features that may be part of ring substructures or spiral arm branches. Spiral arms also extend most of the way through the WaOph 6 disk, but the source overall is much more compact than the other two disks. We discuss possible origins for the spiral structures, including gravitational instability and density waves induced by a stellar or planetary companion. Unlike the millimeter continuum counterparts of many of the disks with spiral arms detected in scattered light, these three sources do not feature high-contrast crescent-like asymmetries or large ($R>20$ au) emission cavities. This difference may point to multiple spiral formation mechanisms operating in disks., Comment: 19 pages, 9 figures, minor typos corrected

The Disk Substructures at High Angular Resolution Project used ALMA to map the 1.25 millimeter continuum of protoplanetary disks at a spatial resolution of ~5 au. We present a systematic analysis of annular substructures in the 18 single-disk systems targeted in this survey. No dominant architecture emerges from this sample; instead, remarkably diverse morphologies are observed. Annular substructures can occur at virtually any radius where millimeter continuum emission is detected and range in widths from a few au to tens of au. Intensity ratios between gaps and adjacent rings range from near-unity to just a few percent. In a minority of cases, annular substructures co-exist with other types of substructures, including spiral arms (3/18) and crescent-like azimuthal asymmetries (2/18). No clear trend is observed between the positions of the substructures and stellar host properties. In particular, the absence of an obvious association with stellar host luminosity (and hence the disk thermal structure) suggests that substructures do not occur preferentially near major molecular snowlines. Annular substructures like those observed in DSHARP have long been hypothesized to be due to planet-disk interactions. A few disks exhibit characteristics particularly suggestive of this scenario, including substructures in possible mean-motion resonance and "double gap" features reminiscent of hydrodynamical simulations of multiple gaps opened by a planet in a low-viscosity disk., Comment: 33 pages, 12 figures, captions corrected

We present a detailed analysis of new ALMA observations of the disk around the T-Tauri star HD 143006, which at 46 mas (7.6 au) resolution reveal new substructures in the 1.25 mm continuum emission. The disk resolves into a series of concentric rings and gaps together with a bright arc exterior to the rings that resembles hydrodynamics simulations of a vortex, and a bridge-like feature connecting the two innermost rings. Although our $^{12}$CO observations at similar spatial resolution do not show obvious substructure, they reveal an inner disk depleted of CO emission. From the continuum emission and the CO velocity field we find that the innermost ring has a higher inclination than the outermost rings and the arc. This is evidence for either a small ($\sim8^{\circ}$) or moderate ($\sim41^{\circ}$) misalignment between the inner and outer disk, depending on the specific orientation of the near/far sides of the inner/outer disk. We compare the observed substructures in the ALMA observations with recent scattered light data from VLT/SPHERE of this object. In particular, the location of narrow shadow lanes in the SPHERE image combined with pressure scale height estimates, favor a large misalignment of about $41^{\circ}$. We discuss our findings in the context of a dust-trapping vortex, planet-carved gaps, and a misaligned inner disk due to the presence of an inclined companion to HD 143006., Comment: 15 pages, 8 figures, accepted for publication at ApJ Letters

We introduce the Disk Substructures at High Angular Resolution Project (DSHARP), one of the initial Large Programs conducted with the Atacama Large Millimeter/submillimeter Array (ALMA). The primary goal of DSHARP is to find and characterize substructures in the spatial distributions of solid particles for a sample of 20 nearby protoplanetary disks, using very high resolution (0.035 arcsec, or 5 au FWHM) observations of their 240 GHz (1.25 mm) continuum emission. These data provide a first homogeneous look at the small-scale features in disks that are directly relevant to the planet formation process, quantifying their prevalence, morphologies, spatial scales, spacings, symmetry, and amplitudes, for targets with a variety of disk and stellar host properties. We find that these substructures are ubiquitous in this sample of large, bright disks. They are most frequently manifested as concentric, narrow emission rings and depleted gaps, although large-scale spiral patterns and small arc-shaped azimuthal asymmetries are also present in some cases. These substructures are found at a wide range of disk radii (from a few au to more than 100 au), are usually compact ($<$10 au), and show a wide range of amplitudes (brightness contrasts). Here we discuss the motivation for the project, describe the survey design and the sample properties, detail the observations and data calibration, highlight some basic results, and provide a general overview of the key conclusions that are presented in more detail in a series of accompanying articles. The DSHARP data -- including visibilities, images, calibration scripts, and more -- are released for community use at https://almascience.org/alma-data/lp/DSHARP., Comment: ApJ Letters, in press; some figure resolutions reduced, full-res version at https://www.cfa.harvard.edu/~sandrews/DSHARP_I.pdf ; Data Release at https://almascience.org/alma-data/lp/DSHARP

We present a detailed analysis of the high-angular resolution (0.''037, corresponding to 5 au) observations of the 1.25 mm continuum and $^{12}$CO $2-1$ emission from the disk around the T Tauri star AS 209. AS 209 hosts one of the most unusual disks from the DSHARP sample, the first high angular resolution ALMA survey of disks (Andrews et al. 2018), as nearly all of the emission can be explained with concentric Gaussian rings. In particular, the dust emission consists of a series of narrow and closely spaced rings in the inner $\sim$60 au, two well-separated bright rings in the outer disk, centered at 74 and 120 au, and at least two fainter emission features at 90 and 130 au. We model the visibilities with a parametric representation of the radial surface brightness profile, consisting of a central core and 7 concentric Gaussian rings. Recent hydro-dynamical simulations of low viscosity disks show that super-Earth planets can produce the multiple gaps seen in AS 209 millimeter continuum emission. The $^{12}$CO line emission is centrally peaked and extends out to $\sim$300 au, much farther than the millimeter dust emission. We find axisymmetric, localized deficits of CO emission around four distinct radii, near 45, 75, 120 and 210 au. The outermost gap is located well beyond the edge of the millimeter dust emission, and therefore cannot be due to dust opacity and must be caused by a genuine CO surface density reduction, due either to chemical effects or depletion of the overall gas content., Comment: ApJ Letters, in press

Cometary studies suggest that the organic composition of the early Solar Nebula was rich in complex nitrile species such a CH$_3$CN. Recent ALMA detections in protoplanetary disks suggest that these species may be common during planet and comet formation, but connecting gas phase measurements to cometary abundances first requires constraints on formation chemistry and distributions of these species. We present here the detection of seven spatially resolved transitions of CH$_3$CN in the protoplanetary disk around the T-Tauri star TW Hya. Using a rotational diagram analysis we find a disk-averaged column density of N$_T$=1.45$^{+0.19}_{-0.15}\times10^{12}$ cm$^{-2}$ and a rotational temperature of T$_{rot}$=32.7$^{+3.9}_{-3.4}$ K. A radially resolved rotational diagram shows the rotational temperature to be constant across the disk, suggesting that the CH$_3$CN emission originates from a layer at z/r$\sim$0.3. Through comparison of the observations with predictions from a disk chemistry model, we find that grain-surface reactions likely dominate CH$_3$CN formation and that in situ disk chemistry is sufficient to explain the observed CH$_3$CN column density profile without invoking inheritance from the protostellar phase. However, the same model fails to reproduce a Solar System cometary abundance of CH$_3$CN relative to H$_2$O in the midplane, suggesting that either vigorous vertical mixing or some degree of inheritance from interstellar ices occurred in the Solar Nebula., Comment: 15 pages, 12 figures, accepted for publication in ApJ

Modern radio interferometers enable observations of spectral lines with unprecedented spatial resolution and sensitivity. In spite of these technical advances, many lines of interest are still at best weakly detected and therefore necessitate detection and analysis techniques specialized for the low signal-to-noise ratio (SNR) regime. Matched filters can leverage knowledge of the source structure and kinematics to increase sensitivity of spectral line observations. Application of the filter in the native Fourier domain improves SNR while simultaneously avoiding the computational cost and ambiguities associated with imaging, making matched filtering a fast and robust method for weak spectral line detection. We demonstrate how an approximate matched filter can be constructed from a previously observed line or from a model of the source, and we show how this filter can be used to robustly infer a detection significance for weak spectral lines. When applied to ALMA Cycle 2 observations of CH3OH in the protoplanetary disk around TW Hya, the technique yields a ~53% SNR boost over aperture-based spectral extraction methods, and we show that an even higher boost will be achieved for observations at higher spatial resolution. A Python-based open-source implementation of this technique is available under the MIT license at https://github.com/AstroChem/VISIBLE., Comment: 20 pages, 8 figures, accepted for publication in The Astronomical Journal

CO is commonly used as a tracer of the total gas mass in both the interstellar medium and in protoplanetary disks. Recently there has been much debate about the utility of CO as a mass tracer in disks. Observations of CO in protoplanetary disks reveal a range of CO abundances, with measurements of low CO to dust mass ratios in numerous systems. One possibility is that carbon is removed from CO via chemistry. However, the full range of physical conditions conducive to this chemical reprocessing is not well understood. We perform a systematic survey of the time dependent chemistry in protoplanetary disks for 198 models with a range of physical conditions. We varying dust grain size distribution, temperature, comic ray and X-ray ionization rate, disk mass, and initial water abundance, detailing what physical conditions are necessary to activate the various CO depletion mechanisms in the warm molecular layer. We focus our analysis on the warm molecular layer in two regions: the outer disk (100 au) well outside the CO snowline and the inner disk (19 au) just inside the midplane CO snow line. After 1 Myr, we find that the majority of models have a CO abundance relative to H$_2$ less than $10^{-4}$ in the outer disk, while an abundance less than $10^{-5}$ requires the presence of cosmic rays. Inside the CO snow line, significant depletion of CO only occurs in models with a high cosmic ray rate. If cosmic rays are not present in young disks it is difficult to chemically remove carbon from CO. Additionally, removing water prior to CO depletion impedes the chemical processing of CO. Chemical processing alone cannot explain current observations of low CO abundances. Other mechanisms must also be involved., Comment: 23 pages, 25 figures, 5 tables, accepted for publication in ApJ

Diffusion of species in icy dust grain mantles is a fundamental process that shapes the chemistry of interstellar regions; yet measurements of diffusion in interstellar ice analogs are scarce. Here we present measurements of CO diffusion into CO$_2$ ice at low temperatures (T=11--23~K) using CO$_2$ longitudinal optical (LO) phonon modes to monitor the level of mixing of initially layered ices. We model the diffusion kinetics using Fick's second law and find the temperature dependent diffusion coefficients are well fit by an Arrhenius equation giving a diffusion barrier of 300 $\pm$ 40 K. The low barrier along with the diffusion kinetics through isotopically labeled layers suggest that CO diffuses through CO$_2$ along pore surfaces rather than through bulk diffusion. In complementary experiments, we measure the desorption energy of CO from CO$_2$ ices deposited at 11-50 K by temperature-programmed desorption (TPD) and find that the desorption barrier ranges from 1240 $\pm$ 90 K to 1410 $\pm$ 70 K depending on the CO$_2$ deposition temperature and resultant ice porosity. The measured CO-CO$_2$ desorption barriers demonstrate that CO binds equally well to CO$_2$ and H$_2$O ices when both are compact. The CO-CO$_2$ diffusion-desorption barrier ratio ranges from 0.21-0.24 dependent on the binding environment during diffusion. The diffusion-desorption ratio is consistent with the above hypothesis that the observed diffusion is a surface process and adds to previous experimental evidence on diffusion in water ice that suggests surface diffusion is important to the mobility of molecules within interstellar ices.

We report the first detection of a substantial brightening event in an isotopologue of a key molecular ion, HCO$^+$, within a protoplanetary disk of a T Tauri star. The H$^{13}$CO$^+$ $J=3-2$ rotational transition was observed three times toward IM Lup between July 2014 and May 2015 with the Atacama Large Millimeter Array. The first two observations show similar spectrally integrated line and continuum fluxes, while the third observation shows a doubling in the disk integrated $J=3-2$ line flux compared to the continuum, which does not change between the three epochs. We explore models of an X-ray active star irradiating the disk via stellar flares, and find that the optically thin H$^{13}$CO$^+$ emission variation can potentially be explained via X-ray driven chemistry temporarily enhancing the HCO$^+$ abundance in the upper layers of the disk atmosphere during large or prolonged flaring events. If the HCO$^+$ enhancement is indeed caused by a X-ray flare, future observations should be able to spatially resolve these events and potentially enable us to watch the chemical aftermath of the high-energy stellar radiation propagating across the face of protoplanetary disks, providing a new pathway to explore ionization physics and chemistry, including electron density, in disks., Comment: 7 pages, 4 figures, accepted for publication in ApJL

Complex organic molecules (COMs) have been observed towards several low-mass young stellar objects (LYSOs). Small and heterogeneous samples have so far precluded conclusions on typical COM abundances, as well as the origin(s) of abundance variations between sources. We present observations towards 16 deeply embedded (Class 0/I) low-mass protostars using the IRAM 30m telescope. We detect CH$_2$CO, CH$_3$CHO, CH$_3$OCH$_3$, CH$_3$OCHO, CH$_3$CN, HNCO, and HC$_3$N towards 67%, 37%, 13%, 13%, 44%, 81%, and 75% of sources respectively. Median column densities derived using survival analysis range between 6.0x10$^{10}$ cm$^{-2}$ (CH$_3$CN) and 2.4x10$^{12}$ cm$^{-2}$ (CH$_3$OCH$_3$) and median abundances range between 0.48% (CH$_3$CN) and 16% (HNCO) with respect to CH$_3$OH. Column densities for each molecule vary by about one order of magnitude across the sample. Abundances with respect to CH$_3$OH are more narrowly distributed, especially for oxygen-bearing species. We compare observed median abundances with a chemical model for low-mass protostars and find fair agreement, although some modeling work remains to bring abundances higher with respect to CH$_3$OH. Median abundances with respect to CH$_3$OH in LYSOs are also found to be generally comparable to observed abundances in hot cores, hot corinos, and massive young stellar objects. Compared with comets, our sample is comparable for all molecules except HC$_3$N and CH$_2$CO, which likely become depleted at later evolutionary stages.

AA Tau is the archetype for a class of stars with a peculiar periodic photometric variability thought to be related to a warped inner disk structure with a nearly edge-on viewing geometry. We present high resolution ($\sim$0.2") ALMA observations of the 0.87 and 1.3~mm dust continuum emission from the disk around AA Tau. These data reveal an evenly spaced three-ringed emission structure, with distinct peaks at 0.34", 0.66", and 0.99", all viewed at a modest inclination of 59.1$^{\circ}\pm$0.3$^{\circ}$ (decidedly not edge-on). In addition to this ringed substructure, we find non-axisymmetric features including a `bridge' of emission that connects opposite sides of the innermost ring. We speculate on the nature of this `bridge' in light of accompanying observations of HCO$^+$ and $^{13}$CO (J=3--2) line emission. The HCO$^+$ emission is bright interior to the innermost dust ring, with a projected velocity field that appears rotated with respect to the resolved disk geometry, indicating the presence of a warp or inward radial flow. We suggest that the continuum bridge and HCO$^+$ line kinematics could originate from gap-crossing accretion streams, which may be responsible for the long-duration dimming of optical light from AA Tau., Comment: Accepted for publication in ApJ, 9 pages, 7 figures

The spatial distribution of gas and solids in protoplanetary disks determines the composition and formation efficiency of planetary systems. A number of disks show starkly different distributions for the gas and small grains compared to millimeter-centimeter sized dust. We present new Atacama Large Millimeter/Submillimeter Array (ALMA) observations of the dust continuum, CO, $^{13}$CO, and C$^{18}$O in the IM Lup protoplanetary disk, one of the first systems where this dust-gas dichotomy was clearly seen. The $^{12}$CO is detected out to a radius of 970 AU, while the millimeter continuum emission is truncated at just 313 AU. Based upon this data, we have built a comprehensive physical and chemical model for the disk structure, which takes into account the complex, coupled nature of the gas and dust and the interplay between the local and external environment. We constrain the distributions of gas and dust, the gas temperatures, the CO abundances, the CO optical depths, and the incident external radiation field. We find that the reduction/removal of dust from the outer disk exposes this region to higher stellar and external radiation and decreases the rate of freeze-out, allowing CO to remain in the gas out to large radial distances. We estimate a gas-phase CO abundance of $5\%$ of the ISM value and a low external radiation field ($G_0\lesssim4$). The latter is consistent with that expected from the local stellar population. We additionally find tentative evidence for ring-like continuum substructure, suggestions of isotope-selective photodissociation, and a diffuse gas halo., Comment: 19 pages, 16 figures, accepted to ApJ

CO$_2$ ice is an important reservoir of carbon and oxygen in star and planet forming regions. Together with water and CO, CO$_2$ sets the physical and chemical characteristics of interstellar icy grain mantles, including desorption and diffusion energies for other ice constituents. A detailed understanding of CO$_2$ ice spectroscopy is a prerequisite to characterize CO$_2$ interactions with other volatiles both in interstellar ices and in laboratory experiments of interstellar ice analogs. We report laboratory spectra of the CO$_2$ longitudinal optical (LO) phonon mode in pure CO$_2$ ice and in CO$_2$ ice mixtures with H$_2$O, CO, O$_2$ components. We show that the LO phonon mode position is sensitive to the mixing ratio of various ice components of astronomical interest. In the era of JWST, this characteristic could be used to constrain interstellar ice compositions and morphologies. More immediately, LO phonon mode spectroscopy provides a sensitive probe of ice mixing in the laboratory and should thus enable diffusion measurements with higher precision than has been previously possible.

CO is widely used as a tracer of molecular gas. However, there is now mounting evidence that gas phase carbon is depleted in the disk around TW Hya. Previous efforts to quantify this depletion have been hampered by uncertainties regarding the radial thermal structure in the disk. Here we present resolved ALMA observations of 13CO 3-2, C18O 3-2, 13CO 6-5, and C18O 6-5 emission in TW Hya, which allow us to derive radial gas temperature and gas surface density profiles, as well as map the CO abundance as a function of radius. These observations provide a measurement of the surface CO snowline at ~30 AU and show evidence for an outer ring of CO emission centered at 53 AU, a feature previously seen only in less abundant species. Further, the derived CO gas temperature profile constrains the freeze-out temperature of CO in the warm molecular layer to < 21 K. Combined with the previous detection of HD 1-0, these data constrain the surface density of the warm H2 gas in the inner ~30 AU. We find that CO is depleted by two orders of magnitude from R=10-60 AU, with the small amount of CO returning to the gas phase inside the surface CO snowline insufficient to explain the overall depletion. Finally, this new data is used in conjunction with previous modeling of the TW Hya disk to constrain the midplane CO snowline to 17-23 AU., Comment: 8 pages, 4 figures, accepted for publication in ApJ

Deuterium-to-hydrogen (D/H) enrichments in molecular species provide clues about their original formation environment. The organic materials in primitive solar system bodies have generally higher D/H ratios and show greater D/H variation when compared to D/H in solar system water. We propose this difference arises at least in part due to 1) the availability of additional chemical fractionation pathways for organics beyond that for water, and 2) the higher volatility of key carbon reservoirs compared to oxygen. We test this hypothesis using detailed disk models, including a sophisticated, new disk ionization treatment with a low cosmic ray ionization rate, and find that disk chemistry leads to higher deuterium enrichment in organics compared to water, helped especially by fractionation via the precursors CH$_2$D$^+$/CH$_3^+$. We also find that the D/H ratio in individual species varies significantly depending on their particular formation pathways. For example, from $\sim20-40$ AU, CH$_4$ can reach $\rm{D/H\sim2\times10^{-3}}$, while D/H in CH$_3$OH remains locally unaltered. Finally, while the global organic D/H in our models can reproduce intermediately elevated D/H in the bulk hydrocarbon reservoir, our models are unable to reproduce the most deuterium-enriched organic materials in the solar system, and thus our model requires some inheritance from the cold interstellar medium from which the Sun formed., Comment: 11 pages, 7 figures, accepted for publication in ApJ

The relative desorption energies of CO and N$_2$ are key to interpretations of observed interstellar CO and N$_2$ abundance patterns, including the well-documented CO and N$_2$H$^+$ anti-correlations in disks, protostars and molecular cloud cores. Based on laboratory experiments on pure CO and N$_2$ ice desorption, the difference between CO and N$_2$ desorption energies is small; the N$_2$-to-CO desorption energy ratio is 0.93$\pm$0.03. Interstellar ices are not pure, however, and in this study we explore the effect of water ice on the desorption energy ratio of the two molecules. We present temperature programmed desorption experiments of different coverages of $^{13}$CO and $^{15}$N$_2$ on porous and compact amorphous water ices and, for reference, of pure ices. In all experiments, $^{15}$N$_2$ desorption begins a few degrees before the onset of $^{13}$CO desorption. The $^{15}$N$_2$ and $^{13}$CO energy barriers are 770 and 866 K for the pure ices, 1034-1143 K and 1155-1298 K for different sub-monolayer coverages on compact water ice, and 1435 and 1575 K for $\sim$1 ML of ice on top of porous water ice. For all equivalent experiments, the N$_2$-to-CO desorption energy ratio is consistently 0.9. Whenever CO and N$_2$ ice reside in similar ice environments (e.g. experience a similar degree of interaction with water ice) their desorption temperatures should thus be within a few degrees of one another. A smaller N$_2$-to-CO desorption energy ratio may be present in interstellar and circumstellar environments if the average CO ice molecules interacts more with water ice compared to the average N$_2$ molecules., Comment: Accepted in ApJL 3 figures, 1 table

This paper discusses compelling science cases for a future long-baseline interferometer operating at millimeter and centimeter wavelengths, like the proposed Next Generation Vary Large Array (ngVLA). We report on the activities of the Cradle of Life science working group, which focused on the formation of low- and high-mass stars, the formation of planets and evolution of protoplanetary disks, the physical and compositional study of Solar System bodies, and the possible detection of radio signals from extraterrestrial civilizations. We propose 19 scientific projects based on the current specification of the ngVLA. Five of them are highlighted as possible Key Science Projects: (1) Resolving the density structure and dynamics of the youngest HII regions and high-mass protostellar jets, (2) Unveiling binary/multiple protostars at higher resolution, (3) Mapping planet formation regions in nearby disks on scales down to 1 AU, (4) Studying the formation of complex molecules, and (5) Deep atmospheric mapping of giant planets in the Solar System. For each of these projects, we discuss the scientific importance and feasibility. The results presented here should be considered as the beginning of a more in-depth analysis of the science enabled by such a facility, and are by no means complete or exhaustive., Comment: 51 pages, 12 figures, 1 table. For more information visit https://science.nrao.edu/futures/ngvla

H$_2$CO ice on dust grains is an important precursor of complex organic molecules (COMs). H$_2$CO gas can be readily observed in protoplanetary disks and may be used to trace COM chemistry. However, its utility as a COM probe is currently limited by a lack of constraints on the relative contributions of two different formation pathways: on icy grain-surfaces and in the gas-phase. We use archival ALMA observations of the resolved distribution of H$_2$CO emission in the disk around the young low-mass star DM Tau to assess the relative importance of these formation routes. The observed H$_2$CO emission has a centrally peaked and radially broad brightness profile (extending out to 500 AU). We compare these observations with disk chemistry models with and without grain-surface formation reactions, and find that both gas and grain-surface chemistry are necessary to explain the spatial distribution of the emission. Gas-phase H$_2$CO production is responsible for the observed central peak, while grain-surface chemistry is required to reproduce the emission exterior to the CO snowline (where H$_2$CO mainly forms through the hydrogenation of CO ice before being non-thermally desorbed). These observations demonstrate that both gas and grain-surface pathways contribute to the observed H$_2$CO in disks, and that their relative contributions depend strongly on distance from the host star., Comment: 6 pages, 4 figures, 1 table

Massive young stellar objects (MYSOs) with hot cores are classic sources of complex organic molecules. The origins of these molecules in such sources, as well as the small- and large-scale differentiation between nitrogen- and oxygen-bearing complex species, are poorly understood. We aim to use complex molecule abundances toward a chemically less explored class of MYSOs with weak hot organic emission lines to constrain the impact of hot molecular cores and initial ice conditions on the chemical composition toward MYSOs. We use the IRAM 30m and the Submillimeter Array to search for complex organic molecules over 8-16 GHz in the 1~mm atmospheric window toward three MYSOs with known ice abundances, but without luminous molecular hot cores. Complex molecules are detected toward all three sources at comparable abundances with respect to CH$_3$OH to classical hot core sources. The relative importance of CH$_3$CHO, CH$_3$CCH, CH$_3$OCH$_3$, CH$_3$CN, and HNCO differ between the organic-poor MYSOs and hot cores, however. Furthermore, the N-bearing molecules are generally concentrated toward the source centers, while most O- and C-bearing molecules are present both in the center and in the colder envelope. Gas-phase HNCO/CH$_3$OH ratios are tentatively correlated with the ratios of NH$_3$ ice over CH$_3$OH ice in the same lines of sight, which is consistent with new gas-grain model predictions. Hot cores are not required to form complex organic molecules, and source temperature and initial ice composition both seem to affect complex organic distributions toward MYSOs. To quantify the relative impact of temperature and initial conditions requires, however, a larger spatially resolved survey of MYSOs with ice detections., Comment: Accepted for publication by A&A, 28 pages in referee format, 12 figures

Identifying the source of Earth's water is central to understanding the origins of life-fostering environments and to assessing the prevalence of such environments in space. Water throughout the solar system exhibits deuterium-to-hydrogen enrichments, a fossil relic of low-temperature, ion-derived chemistry within either (i) the parent molecular cloud or (ii) the solar nebula protoplanetary disk. Utilizing a comprehensive treatment of disk ionization, we find that ion-driven deuterium pathways are inefficient, curtailing the disk's deuterated water formation and its viability as the sole source for the solar system's water. This finding implies that if the solar system's formation was typical, abundant interstellar ices are available to all nascent planetary systems., Comment: 33 pages, 7 figures including main text and supplementary materials. Published in Science

UV ice photodesorption is an important non-thermal desorption pathway in many interstellar environments that has been invoked to explain observations of cold molecules in disks, clouds and cloud cores. Systematic laboratory studies of the photodesorption rates, between 7 and 14 eV, from CO:N2 binary ices, have been performed at the DESIRS vacuum UV beamline of the synchrotron facility SOLEIL. The photodesorption spectral analysis demonstrates that the photodesorption process is indirect, i.e. the desorption is induced by a photon absorption in sub-surface molecular layers, while only surface molecules are actually desorbing. The photodesorption spectra of CO and N2 in binary ices therefore depend on the absorption spectra of the dominant species in the subsurface ice layer, which implies that the photodesorption efficiency and energy dependence are dramatically different for mixed and layered ices compared to pure ices. In particular, a thin (1-2 ML) N2 ice layer on top of CO will effectively quench CO photodesorption, while enhancing N2 photodesorption by a factors of a few (compared to the pure ices) when the ice is exposed to a typical dark cloud UV field, which may help to explain the different distributions of CO and N2H+ in molecular cloud cores. This indirect photodesorption mechanism may also explain observations of small amounts of complex organics in cold interstellar environments., Comment: 21 pages 5 figures

Ultraviolet photodesorption of molecules from icy interstellar grains can explain observations of cold gas in regions where thermal desorption is negligible. This non-thermal desorption mechanism should be especially important where UV fluxes are high. N2 and O2 are expected to play key roles in astrochemical reaction networks, both in the solid state and in the gas phase. Measurements of the wavelength-dependent photodesorption rates of these two infrared-inactive molecules provide astronomical and physical-chemical insights into the conditions required for their photodesorption. Tunable radiation from the DESIRS beamline at the SOLEIL synchrotron in the astrophysically relevant 7 to 13.6 eV range is used to irradiate pure N2 and O2 thin ice films. Photodesorption of molecules is monitored through quadrupole mass spectrometry. Absolute rates are calculated by using the well-calibrated CO photodesorption rates. Strategic N2 and O2 isotopolog mixtures are used to investigate the importance of dissociation upon irradiation. N2 photodesorption mainly occurs through excitation of the b^1Pi_u state and subsequent desorption of surface molecules. The observed vibronic structure in the N2 photodesorption spectrum, together with the absence of N3 formation, supports that the photodesorption mechanism of N2 is similar to CO, i.e., an indirect DIET (Desorption Induced by Electronic Transition) process without dissociation of the desorbing molecule. In contrast, O2 photodesorption in the 7 - 13.6 eV range occurs through dissociation and presents no vibrational structure. Photodesorption rates of N2 and O2 integrated over the far-UV field from various star-forming environments are lower than for CO. Rates vary between 10E-3 and 10E-2 photodesorbed molecules per incoming photon., Comment: 7 pages, 5 figures, published in A&A

(Abridged) The observed presence of pure CO2 ice in protostellar envelopes is attributed to thermally induced ice segregation, but a lack of quantitative experimental data has prevented its use as a temperature probe. Quantitative segregation studies are also needed to characterize diffusion in ices, which underpins all ice dynamics and ice chemistry. This study aims to quantify the segregation mechanism and barriers in different H2O:CO2 and H2O:CO ice mixtures covering a range of astrophysically relevant ice thicknesses and mixture ratios. The ices are deposited at 16-50 K under (ultra-)high vacuum conditions. Segregation is then monitored at 23-70 K as a function of time, through infrared spectroscopy. Thin (8-37 ML) H2O:CO2/CO ice mixtures segregate sequentially through surface processes, followed by an order of magnitude slower bulk diffusion. Thicker ices (>100 ML) segregate through a fast bulk process. The thick ices must therefore be either more porous or segregate through a different mechanism, e.g. a phase transition. The segregation dynamics of thin ices are reproduced qualitatively in Monte Carlo simulations of surface hopping and pair swapping. The experimentally determined surface-segregation rates for all mixture ratios follow the Ahrrenius law with a barrier of 1080[190] K for H2O:CO2 and 300[100] K for H2O:CO mixtures. During low-mass star formation H2O:CO2 segregation will be important already at 30[5] K. Both surface and bulk segregation is proposed to be a general feature of ice mixtures when the average bond strengths of the mixture constituents in pure ice exceeds the average bond strength in the ice mixture., Comment: Accepted for publication in A&A. 25 pages, including 13 figures