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Melissa K. McClure

Publications and source records attributed to Melissa K. McClure.

10 recordsLinked to original sources

The Fast & Fourier: Using neural operators to speed up radiative modeling of protoplanetary disks

Edge-on protoplanetary disks provide a spatially resolved view of the vertical distribution of icy planetary building blocks, but inferring their relative abundances requires radiative-transfer (RT) modeling with multiple anisotropic scattering. Each model costs $10^{1}$-$10^{3}$ CPU hours, which precludes principled Bayesian inference and homogeneous, population-scale analyses. We develop and validate a fast and reusable surrogate for Bayesian inference with ice-bearing edge-on disk models. We train a Fourier Neural Operator on a grid of RADMC-3D spectra. The network maps disk parameters and analytic physical input fields to the spectrum, using mixed-resolution spectra. We use the surrogate in an explicit-likelihood nested sampler and validate it on held-out simulations and synthetic recovery tests with TARP coverage. Finally, we use it to retrieve the disk structure and ice abundances of ESO-H$α$ 569 from its spectral energy distribution. The surrogate reproduces the RADMC-3D spectra with a median error of 4.84%. We recover synthetic parameters without detectable bias and with nominal coverage. For ESO-H$α$ 569, the posterior favors a massive ($M_{\rm gas}=0.028^{+0.015}_{-0.011}\,M_\odot$), nearly edge-on ($i=79.8^{+5.2}_{-2.4}$ deg) disk consistent with the image-plus-SED model of Wolff et al. (2017). Its ice abundances and cavity size remain weakly constrained by broadband data alone. The marginal spectrum-evaluation speed-up is $\sim10^{9}$-$10^{10}$. Neural-operator emulation makes full posterior inference feasible within the adopted model and training prior. Key posterior points should still be checked with high-fidelity RT models. By drastically cutting evaluation time, this approach enables for the first time homogeneous population studies of ices in disks, which new JWST surveys can capitalize on to map the range of compositions within planetary nurseries.

astro-ph.EP↗

Probing the ubiquity of complex ices in protostars with JWST: the first systematic quantification of weak ice bands between 6.8 and 7.9 micron

Complex organic molecules (COMs) are the key to understanding the chemical evolution from simple interstellar molecules to potential prebiotic material. Although COMs have been extensively studied in the gas phase toward protostars, their counterparts in ices, where they are thought to form at earlier stages, remain far less constrained. A number of diagnostic features of complex ices lie between 6.8 and 8.8 um, a region known as the "COM ice fingerprint range," but previous infrared facilities lacked the sensitivity and spectral resolution required to quantify the weak bands therein. With the unprecedented sensitivity and resolving power of JWST, these limitations can now be overcome. Here, we present the first large-sample quantitative study of the absorption features at 7.02, 7.24, 7.40, and 7.67 um, using MIRI-MRS spectra of 21 protostars. The CH4 band at 7.67 um is the strongest band and shows remarkably uniform peak positions (7.67-7.68 um) and FWHMs (0.06-0.08 um), suggesting CH4 ice as its dominant carrier. The 7.24 and 7.40 um bands exhibit larger source-to-source variations in peak positions and FWHMs, but their occurrence and intensities are strongly correlated with each other. Comparisons with existing and new laboratory spectra suggest HCOO- as the most likely carrier of these two bands, yet HCOO- cannot fully reproduce their intensity ratios, implying additional contributions from other species such as C2H5OH, CH3CHO, and CH3COCH3. Our results reveal, for the first time, the potential ubiquity of weak features of complex ices in protostars, which have remained largely undetected due to observational limitations.

astro-ph.GA↗

CORINOS V: Radiative transfer effects in protostellar ice observations

Recent observations of protostars with the James Webb Space Telescope have revealed unprecedented chemical complexity from their ice absorption features. However, these spectra are likely influenced by radiative transfer effects, and there is little understanding of how this impacts our ability to identify, quantify, and interpret the observed ice features. We have developed a new modeling framework to investigate the radiative transfer through icy protostellar envelopes, and apply this to the IRAS 15398-3359 protostar observed by the JWST CORINOS program. The modeled H$_2$O and CO column densities are similar to previous empirical studies, but we require a high CO$_2$/H$_2$O ratio of 76% to match the optical depth of the 15 $μ$m band. We use our modeled continuum to calculate a 6-10 $μ$m optical depth spectrum, and see considerable differences compared to a simple polynomial continuum model, underscoring the challenges with quantifying trace ice species in this range. For this source, we find that the observed absorption predominantly originates along the viewing line of sight between 1000 - 2000 au, peaking at the transition from the outflow cavity to the envelope; the spectra are largely insensitive to absorption from ices in the outer envelope, which extends out to 20,000 au. Lastly, we show that depending on how the line of sight intersects the cavity, the apparent CO$_2$/H$_2$O and CO/H$_2$O column density ratios can be underestimated compared to the underlying ice abundance ratios. Together this provides important context for interpreting the ice constraints derived from JWST observations of protostars.

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The Flying Saucer edge-on disc's Near Infrared silhouette revealed by the JWST JEDIce program

Edge-on discs offer a unique opportunity to probe radial and vertical dust and gas distributions in the protoplanetary phase. This study aims to investigate the distribution of micron-sized dust particles in the Flying Saucer (BKLT J162813-243139) in Rho Ophiuchi, leveraging the unique observational conditions of a bright infrared background that enables the edge-on disc to be seen in both silhouette and scattered light at certain, specific wavelengths. As part of the JWST Edge-on Disc Ice program ('JEDIce'), we use NIRSpec IFU observations of the Flying Saucer, serendipitously observed against a PAH-emitting background, to constrain the dust distribution and grain sizes through radiative transfer modelling. Observation of the Flying Saucer in silhouette at 3.29 microns reveals that the midplane radial extent of small dust grains is ~235 au, larger than the large-grain disc extent previously determined to be 190 au from millimetre data. The scattered light observed in emission probes micron sized icy grains at large vertical distances above the midplane. The vertical extent of the disc silhouette is similar at visible, near-IR, and mid-IR wavelengths, corroborating the conclusion that dust settling is inefficient for grains as large as tens of microns, vertically and radially.

astro-ph.EP↗

Ice Age : Chemo-dynamical modeling of Cha-MMS1 to predict new solid-phase species for detection with JWST

Chemical models and experiments indicate that interstellar dust grains and their ice mantles play an important role in the production of complex organic molecules (COMs). To date, the most complex solid-phase molecule detected with certainty in the ISM is methanol, but the James Webb Space Telescope (JWST) may be able to identify still larger organic species. In this study, we use a coupled chemo-dynamical model to predict new candidate species for JWST detection toward the young star-forming core Cha-MMS1, combining the gas-grain chemical kinetic code MAGICKAL with a 1-D radiative hydrodynamics simulation using Athena++. With this model, the relative abundances of the main ice constituents with respect to water toward the core center match well with typical observational values, providing a firm basis to explore the ice chemistry. Six oxygen-bearing COMs (ethanol, dimethyl ether, acetaldehyde, methyl formate, methoxy methanol, and acetic acid), as well as formic acid, show abundances as high as, or exceeding, 0.01% with respect to water ice. Based on the modeled ice composition, the infrared spectrum is synthesized to diagnose the detectability of the new ice species. The contribution of COMs to IR absorption bands is minor compared to the main ice constituents, and the identification of COM ice toward the core center of Cha-MMS1 with the JWST NIRCAM/Wide Field Slitless Spectroscopy (2.4-5.0 micron) may be unlikely. However, MIRI observations (5-28 micron) toward COM-rich environments where solid-phase COM abundances exceed 1% with respect to the water ice column density might reveal the distinctive ice features of COMs.

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Infrared spectra of complex organic molecules in astronomically relevant ice matrices. III. Methyl formate and its tentative solid-state detection

Context. Infrared spectroscopy of star and planet forming regions is at the dawn of a new age with the upcoming James Webb Space Telescope. In support of these observations, laboratory spectra are required to identify complex organic molecules in the ices that cover the dust grains in these regions. Aims. This study aims to provide reference spectra to firmly detect icy methyl formate in the different stages of star and planet forming regions. Methyl formate is mixed in astronomically relevant matrices, and the peak positions, FWHMs, and relative band intensities are characterized for different temperatures to provide an analytical tool for astronomers. Methods. Methyl formate is deposited at 15 K under high-vacuum conditions. Specifically, methyl formate is deposited pure and mixed with CO, H$_2$CO, CH$_3$OH, H$_2$O, and CO:H$_2$CO:CH$_3$OH combined. Throughout the experiment infrared spectra are acquired with a FTIR spectrometer in the range from 4000-500 cm$^{-1}$ (2.5-20 $μ$m) at a spectral resolution of 0.5 cm$^{-1}$. Results. We present the characterization of five solid-state methyl formate vibrational modes in pure and astronomically relevant ice matrices. The five selected vibrational modes, namely the C=O stretch, C$-$O stretch, CH$_3$ rocking, O$-$CH$_3$ stretching, and OCO deformation, are best suited for a JWST identification of methyl formate. For each of these vibrational modes, and each of the mixtures the TvS heatmaps, peak position versus FWHM, and relative band intensities are given. Additionally, the acquired reference spectra of methyl formate are compared with Spitzer observations of HH 46. A tentative detection of methyl formate provides an upper limit to the column density of $1.7\times10^{17}$ cm$^{-2}$, corresponding to an upper limit relative to water of $\leq 2.2\%$ and $\leq 40\%$ with respect to methanol.

astro-ph.SR↗

A multi-frequency ALMA characterization of substructures in the GM Aur protoplanetary disk

The protoplanetary disk around the T Tauri star GM Aur was one of the first hypothesized to be in the midst of being cleared out by a forming planet. As a result, GM Aur has had an outsized influence on our understanding of disk structure and evolution. We present 1.1 and 2.1 mm ALMA continuum observations of the GM Aur disk at a resolution of ~50 mas (~8 au), as well as HCO$^+$ $J=3-2$ observations at a resolution of ~100 mas. The dust continuum shows at least three rings atop faint, extended emission. Unresolved emission is detected at the center of the disk cavity at both wavelengths, likely due to a combination of dust and free-free emission. Compared to the 1.1 mm image, the 2.1 mm image shows a more pronounced "shoulder" near R~40 au, highlighting the utility of longer-wavelength observations for characterizing disk substructures. The spectral index $α$ features strong radial variations, with minima near the emission peaks and maxima near the gaps. While low spectral indices have often been ascribed to grain growth and dust trapping, the optical depth of GM Aur's inner two emission rings renders their dust properties ambiguous. The gaps and outer disk ($R>100$ au) are optically thin at both wavelengths. Meanwhile, the HCO$^+$ emission indicates that the gas cavity is more compact than the dust cavity traced by the millimeter continuum, similar to other disks traditionally classified as "transitional."

astro-ph.EP↗

Photophoretic Levitation and Trapping of Dust in the Inner Regions of Protoplanetary Disks

In protoplanetary disks, the differential gravity-driven settling of dust grains with respect to gas and with respect to grains of varying sizes determines the observability of grains, and sets the conditions for grain growth and eventually planet formation. In this work we explore the effect of photophoresis on the settling of large dust grains in the inner regions of actively accreting protoplanetary disks. Photophoretic forces on dust grains result from the collision of gas molecules with differentially heated grains. We undertake one dimensional dust settling calculations to determine the equilibrium vertical distribution of dust grains in each column of the disk. In the process we introduce a new treatment of the photophoresis force which is consistent at all optical depths with the representation of the radiative intensity field in a two-stream radiative transfer approximation. The levitation of large dust grains creates a photophoretic dust trap several scale heights above the mid-plane in the inner regions of the disk where the dissipation of accretion energy is significant. We find that differential settling of dust grains is radically altered in these regions of the disk, with large dust grains trapped in a layer below the stellar irradiation surface in where the dust to gas mass ratio can be enhanced by a factor of a hundred for the relevant particles. The photophoretic trapping effect has a strong dependence on particle size and porosity.

astro-ph.EP↗

The Structure of Pre-transitional Protoplanetary Disks I: Radiative Transfer Modeling of the Disk+Cavity in the PDS 70 system

Through detailed radiative transfer modeling, we present a disk+cavity model to simultaneously explain both the SED and Subaru H-band polarized light imaging for the pre-transitional protoplanetary disk PDS 70. Particularly, we are able to match not only the radial dependence, but also the absolute scale, of the surface brightness of the scattered light. Our disk model has a cavity 65 AU in radius, which is heavily depleted of sub-micron-sized dust grains, and a small residual inner disk which produces a weak but still optically thick NIR excess in the SED. To explain the contrast of the cavity edge in the Subaru image, a factor of ~1000 depletion for the sub-micron-sized dust inside the cavity is required. The total dust mass of the disk may be on the order of 1e-4 M_sun, only weakly constrained due to the lack of long wavelength observations and the uncertainties in the dust model. The scale height of the sub-micron-sized dust is ~6 AU at the cavity edge, and the cavity wall is optically thick in the vertical direction at H-band. PDS 70 is not a member of the class of (pre-)transitional disks identified by Dong et al. (2012), whose members only show evidence of the cavity in the millimeter-sized dust but not the sub-micron-sized dust in resolved images. The two classes of (pre-)transitional disks may form through different mechanisms, or they may just be at different evolution stages in the disk clearing process.

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A Spitzer-IRS Detection of Crystalline Silicates in a Protostellar Envelope

We present the Spitzer Space Telescope Infrared Spectrograph spectrum of the Orion A protostar HOPS-68. The mid-infrared spectrum reveals crystalline substructure at 11.1, 16.1, 18.8, 23.6, 27.9, and 33.6 microns superimposed on the broad 9.7 and 18 micron amorphous silicate features; the substructure is well matched by the presence of the olivine end-member forsterite. Crystalline silicates are often observed as infrared emission features around the circumstellar disks of Herbig Ae/Be stars and T Tauri stars. However, this is the first unambiguous detection of crystalline silicate absorption in a cold, infalling, protostellar envelope. We estimate the crystalline mass fraction along the line-of-sight by first assuming that the crystalline silicates are located in a cold absorbing screen and secondly by utilizing radiative transfer models. The resulting crystalline mass fractions of 0.14 and 0.17, respectively, are significantly greater than the upper limit found in the interstellar medium (< 0.02-0.05). We propose that the amorphous silicates were annealed within the hot inner disk and/or envelope regions and subsequently transported outward into the envelope by entrainment in a protostellar outflow

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