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Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗
NASA NTRS1996

The Global Perspective on the Evolution of Solids in a Protoplanetary Disk

It is currently thought that planets around solar-type stars form by the accumulation of solid matter entrained in a gaseous, turbulent protoplanetary disk. We have developed a model designed to simulate the part of this process that starts from small particles suspended in the gaseous disk at the end of the formation stage, and ends up with most of the solid material aggregated into 1-10-km planetesimals. The major novelty of our approach is its emphasis on the global, comprehensive treatment of the problem, as our model simultaneously keeps track of the evolution of gas and solid particles due to gas-solid coupling, coagulation, sedimentation, and evaporation/condensation. The result of our calculations is the radial distribution of solid material circumnavigating a star in the form of a planetesimal swarm. Such a distribution should well approximate the radial apportionment of condensed components of the planets spread over the radial extent of the mature planetary system. Therefore we view our calculations as an attempt to predict the large-scale architecture of planetary systems and to assess their potential diversity. In particular, we have found that some initial conditions lead to all solids being lost to the star, but we can also identify initial conditions leading to a radial distribution of solid material quite reminiscent of what is found in our solar system.

Stepinski, T. F.↗
DOE OSTI2021

SDSS-IV MaStar: theoretical atmospheric parameters for the MaNGA stellar library

ABSTRACT We calculate the fundamental stellar parameters effective temperature, surface gravity, and iron abundance – Teff, log g, [Fe/H] – for the final release of the Mapping Nearby Galaxies at APO (MaNGA) Stellar Library (MaStar), containing 59 266 per-visit-spectra for 24 290 unique stars at intermediate resolution (R ∼ 1800) and high S/N (median = 96). We fit theoretical spectra from model atmospheres by both MARCS and BOSZ-ATLAS9 to the observed MaStar spectra, using the full spectral fitting code pPXF. We further employ a Bayesian approach, using a Markov Chain Monte Carlo (MCMC) technique to map the parameter space and obtain uncertainties. Originally in this paper, we cross match MaStar observations with Gaia photometry, which enable us to set reliable priors and identify outliers according to stellar evolution. In parallel to the parameter determination, we calculate corresponding stellar population models to test the reliability of the parameters for each stellar evolutionary phase. We further assess our procedure by determining parameters for standard stars such as the Sun and Vega and by comparing our parameters with those determined in the literature from high-resolution spectroscopy (APOGEE and SEGUE) and from lower resolution matching template (LAMOST). The comparisons, considering the different methodologies and S/N of the literature surveys, are favourable in all cases. Our final parameter catalogue for MaStar cover the following ranges: 2592 ≤ Teff ≤ 32 983 K; −0.7 ≤ log g ≤ 5.4 dex; −2.9 ≤ [Fe/H] ≤ 1.0 dex and will be available with the last SDSS-IV Data Release, in 2021 December.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Starbursts in the nuclei of shell galaxies

Simulations of shell-forming galaxy mergers are reported in which gas and stars are tracked separately to study the implications of observations that indicate fine structures in elliptical galaxies. The hybrid N-body/hydrodynamics code by Hernquist and Katz (1989) is employed neglecting the self-gravity of galaxies in tidal disruptions by massive primaries of small dwarf galaxies. The evolution of the galactic debris is examined showing that the gas and stars are effectively segregated with the stars forming sharp-edged features and the gas forming disks in the nucleus of the primary. Star formation is theorized to occur in the nuclei of shell galaxies due to shocks in the gas, and the added presence of a black hole can lead to an active galactic nucleus. The simulation is of interest to the interpretation of such observations as those of NGC1275 in which dormant elliptical galaxies are activated by mergers between large galaxies and gas-rich satellites.

Hernquist, Lars↗
DOE OSTI2022

The Influence of 10 Unique Chemical Elements in Shaping the Distribution of Kepler Planets

The chemical abundances of planet-hosting stars offer a glimpse into the composition of planet-forming environments. To further understand this connection, we make the first ever measurement of the correlation between planet occurrence and chemical abundances for ten different elements (C, Mg, Al, Si, S, K, Ca, Mn, Fe, and Ni). Leveraging data from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) and Gaia to derive precise stellar parameters (${\sigma }_{{R}_{\star }}\approx 2.3 \% $, ${\sigma }_{{M}_{\star }}\approx 4.5 \% $) for a sample of 1018 Kepler Objects of Interest, we construct a sample of well-vetted Kepler planets with precisely measured radii (${\sigma }_{{R}_{p}}\approx 3.4 \% $). After controlling for biases in the Kepler detection pipeline and the selection function of the APOGEE survey, we characterize the relationship between planet occurrence and chemical abundance as the number density of nuclei of each element in a star's photosphere raised to a power, β. varies by planet type, but is consistent within our uncertainties across all ten elements. For hot planets (P = 1–10 days), an enhancement in any element of 0.1 dex corresponds to an increased occurrence of ≈20% for super-Earths (Rp = 1–1.9 R⊕) and ≈60% for sub-Neptunes (Rp = 1.9–4 R⊕). Trends are weaker for warm (P = 10–100 days) planets of all sizes and for all elements, with the potential exception of sub-Saturns (Rp = 4–8 R⊕). Finally, we conclude this work with a caution to interpreting trends between planet occurrence and stellar age due to degeneracies caused by Galactic chemical evolution and make predictions for planet occurrence rates in nearby open clusters to facilitate demographics studies of young planetary systems.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2021

Long-term Coherent Timing of the Accreting Millisecond Pulsar IGR J17062–6143

We report on a coherent timing analysis of the 163 Hz accreting millisecond X-ray pulsar IGR J17062–6143. Using data collected with the Neutron Star Interior Composition Explorer and XMM-Newton, we investigated the pulsar evolution over a time span of four years. We obtained a unique phase-coherent timing solution for the stellar spin, finding the source to be spinning up at a rate of (3.77 ± 0.09) × 10−15 Hz s−1. We further find that the 0.4–6 keV pulse fraction varies gradually between 0.5% and 2.5% following a sinusoidal oscillation with a 1210 ± 40 day period. Finally, we supplemented this analysis with an archival Rossi X-ray Timing Explorer observation and obtained a phase-coherent model for the binary orbit spanning 12 yr, yielding an orbital period-derivative measurement of (8.4 ± 2.0) × 10−12 s s−1. This large orbital period derivative is inconsistent with a binary evolution that is dominated by gravitational wave emission and is suggestive of highly non-conservative mass transfer in the binary system.

stars: neutron↗
DOE OSTI2022

Warped Disk Galaxies. I. Linking U-type Warps in Groups/Clusters to Jellyfish Galaxies

Warped disk galaxies are classified into two morphologies: S and U types. Conventional theories routinely attribute both types to galactic tidal interaction and/or gas accretion, but reproducing U types in simulations is extremely challenging. Here we investigate whether both types are governed by the same mechanisms using the most extensive sample of ~8000 nearby (0.02 < z < 0.06) massive (M*/M ⊙ > 10 9 ) edge-on disks from the Sloan Digital Sky Survey. We find that U types show on average bluer optical colors and a higher specific star formation rate (sSFR) than S types, with more strongly warped U types having a higher sSFR. We also find that while the S-type warp properties correlate with the tidal force by the nearest neighbor regardless of the environment, there is no such correlation for U types in groups/clusters, suggesting a nontidal mechanism could be at play for U types, such as ram pressure stripping (RPS). Indeed, U types are more common in groups/clusters than in fields and they have stellar mass, gas fraction, sSFR enhancement, and phase-space distribution closely analogous to RPS-induced jellyfish galaxies in clusters. We furthermore show that the stellar disks of most RPS galaxies in the IllustrisTNG simulation are warped in a U shape and bent in the opposite direction of stripped gas tails, satisfying theoretical expectations for stellar warps embedded in jellyfishes. We therefore suggest that despite the majority of U types that live in fields being still less explained, RPS can be an alternative origin for those in groups/clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

The stellar population and luminosity function in M31 bulge and Inner Disk Fields

We report infrared photometry and stellar identifications for stars in five fields in the M31 bulge located from 2 to 11 arcmin from the nucleus. These fields have been chosen such that the bulge/disk star ratio predicted from Kent's (1989) small bulge model varies from 7:1 to 1:5, allowing a study of near pure disk and near pure bulge stellar populations. We reject the hypothesis of Davies et al. (1991) that luminous stars found within 500 pc of the nucleus are due to a contaminating disk population. We find that the bulge contains stars in excess of M(sub bol) = -5 mag and that the bulge luminosity function has a distinct shape different from the disk fields. We find many stars redder than (J-K) = 2 mag, and suggest that these stars may be the counterparts of the IRAS-selected Galactic bulge Miras studied by Whitelock et at. (1991). The number of bright stars (M(sub bol) is less than -5 mag) falls off more rapidly than the r band surface brightness. By building model fields out of a bulge luminosity function and artificial stars, we are able to show that the change in the luminosity function toward the center cannot be explained simply by the mismeasurement of overcrowded star images. However, these tests also raise the possibility that the asymptotic giant branch (AGB) tip may be approximately equal to 1 mag fainter than actually measured in our most crowded field, reaching only M(sub bol) = -5. We compare observed counts of AGB stars with those predicted from theoretical lifetimes using a technique of general interest for this problem, the Fuel Consumption Theorem of Renzini & Buzzoni (1986) Spectral Evolution of Galaxies (Reidel, Dordrecht). Our methodology is generally applicable to the study of other resolved extragalactic stellar populations. The number of observed stars per magnitude up to a luminosity of M(bol) = -5.5 mag is consistent with AGB evolution of the whole population of the innermost bulge field with the standard lifetime on the AGB of 1.3 Myr/mag. We advance the possibility that the bulge of M31 may be younger than the oldest Galactic globular clusters. We note that M33 has recently been found to have an r(exp 1/4)-law spheroid consisting of intermediate-age stars; bulges can form later than the old halo population.

Rich, R. Michael↗
NASA NTRS1985

Wind distances for planetary nebulae

A new method for the determination of distances to planetary nebulae is presented. If a star has a strong wind that produces a P Cygni profile in its spectrum, an escape velocity may be inferred from the terminal velocity, which provides a relation involving stellar temperature, luminosity, and mass. The theory of stellar evolution provides a second relation among these three variables, so that once the star's temperature is known, it is possible to simultaneously derive its mass and luminosity, and hence its distance. The method is applied to several test cases that illustrate its viability and current limitations.

Kaler, J. B.↗
DOE OSTI2020

The age–chemical abundance structure of the Galactic disc – II. α -dichotomy and thick disc formation

ABSTRACT We extend our previous work on the age–chemical abundance structure of the Galactic outer disc to the inner disc (4 < r < 8 kpc) based on the SDSS/APOGEE survey. Different from the outer disc, the inner disc stars exhibit a clear bimodal distribution in the [Mg/Fe]–[Fe/H] plane. While a number of scenarios have been proposed in the literature, it remains challenging to recover this bimodal distribution with theoretical models. To this end, we present a chemical evolution model embedding a complex multiphase inner disc formation scenario that matches the observed bimodal [Mg/Fe]–[Fe/H] distribution. In this scenario, the formation of the inner disc is dominated by two main starburst episodes $6\,$Gyr apart with secular, low-level star formation activity in between. In our model, the first starburst occurs at early cosmic times ($t\sim 1\,$ Gyr) and the second one $6\,$ Gyr later at a cosmic time of $t\sim 7\,$ Gyr. Both these starburst episodes are associated with gas accretion events in our model, and are quenched rapidly. The first starburst leads to the formation of the high-α sequence, and the second starburst leads to the formation of the metal-poor low-α sequence. The metal-rich low-α stars, instead, form during the secular evolution phase between the two bursts. Our model shows that the α-dichotomy originates from the rapid suppression of star formation after the first starburst. The two starburst episodes are likely to be responsible for the formation of the geometric thick disc (z >1 kpc), with the old inner thick disc and the young outer thick disc forming during the first and the second starbursts, respectively.

Lian, Jianhui↗
DOE OSTI2025

FORECASTOR – II. Simulating galaxy surveys with the Cosmological Advanced Survey Telescope for Optical and UV Research

The Cosmological Advanced Survey Telescope for Optical and UV Research (CASTOR) is a planned flagship space telescope, covering the blue-optical and UV part of the spectrum. Here, we introduce the CASTOR image simulator, a python GalSim package-based script capable of generating mock CASTOR images from an input catalogue. We generate example images from the CASTOR Wide, Deep, and Ultra-Deep surveys using simulated lightcones from the Santa Cruz semi-analytic model. We make predictions for the performance of these surveys by comparing galaxies that are extracted from each image using Source Extractor to the input catalogue. We find that the Wide, Deep, and Ultra-Deep surveys will be 75 per cent complete for point sources down to $\sim 27$, 29, and 30 mag, respectively, in the UV, u, and g filters, with the UV-split and u-split filters reaching a shallower depth. With a large area of $\sim 2200$ deg$^2$, the Wide survey will detect hundreds of millions of galaxies out to $z\sim 4$, mostly with $M_\ast \gtrsim 10^{9}\,{\rm M}_{\odot }$. The Ultra-Deep survey will probe to $z\sim 5$, detecting galaxies with $M_\ast \gtrsim 10^{7}{\rm M}_{\odot }$. These galaxy samples will enable precision measurements of the distribution of star formation in the cosmic web, connecting the growth of stellar mass to the assembly of dark matter haloes over two thirds of the history of the Universe, and other core goals of CASTOR’s legacy surveys. These image simulations and the tools developed to generate them will be a vital planning tool to estimate CASTOR’s performance and iterate the telescope and survey designs prior to launch.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Chemical and luminosity evolution, and counts of galaxies in a merger model

A merger model is applied to the chemical and luminosity evolution of galaxies. Two aspects are focused on. The first is the problem of abundance ratios as a function of metallicity. The second is related to the luminosity evolution of galaxies. In relation to the former, we calculate the evolution of several chemical elements exploring a broad space of possible star formation rates, including those derived using phenomenological arguments from a multiple merger galaxy formation scenario. We are able to reproduce the observed plateau in the ratio of the abundances of oxygen to iron versus metallicity as a direct consequence of one of the merging SFR used; we have utilized a standard Type II supernovae nucleosynthesis scenario coupled with a reasonable binary model for Type Ia supernovae and its consequent nucleosynthetic yields. Following the consequent luminosity effects in a straightforward way enables the estimation of the evolution of bolometric luminosity. We have used our recently developed code for photometric evolution of galaxies to make a preliminary computation of the number-magnitude relationship, assuming a standard picture of galaxy evolution, in the B and K bands.

Colin, P.↗
DOE OSTI2026

Astrometric microlensing probes of the isolated neutron star population with Roman

Notoriously hard to detect and study, isolated neutron stars (NSs) might provide valuable answers to fundamental questions about stellar evolution and explosion physics. With the upcoming Roman Space Telescope, scheduled for launch in 2026, a new and powerful channel for their detection will become available: astrometric microlensing. We set out to create a realistic sample of simulated gravitational microlensing events as observed by Roman with the Galactic Bulge Time Domain Survey. We focus in particular on the population of NS lenses, which has until now been largely understudied. We used dedicated Galactic models tailored for application to microlensing by compact objects. In addition to populations of stars, white dwarfs, and black holes, we simulated four different NS populations with Maxwellian natal kick distributions: v = (150, 250, 350, 450) km/s. For each simulation, we applied projected Roman precision, cadence, and detectability criteria. We found that the parameter space log10 t E –log 10 θ E , which will be accessible to Roman observations, is efficient for the classification of stellar remnants. We found a feature in this space that is characteristic of NSs; using this feature, optimal samples of NS candidates can be constructed from Roman -like datasets. We describe the dependence of the observable parameter distributions on the assumed mean kick velocities. As the effects of natal kicks are very complex and mutually counteracting, we suggest that more detailed studies focused on the dynamics of NSs are needed in anticipation of Roman and future surveys. We estimate that Roman will observe approximately 11 000 microlensing events, including ~100 with NS lenses, whose photometric and astrometric signals are detectable; the event yield decreases by 38% when gap-filling low-cadence observations are not included. We make all simulated microlensing event datasets publicly available in preparation for Roman data.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2017

The Fundamental Stellar Parameters of FGK Stars in the SEEDS Survey Norman, OK 73071, USA

Large exoplanet surveys have successfully detected thousands of exoplanets to-date. Utilizing these detections and non-detections to constrain our understanding of the formation and evolution of planetary systems also requires a detailed understanding of the basic properties of their host stars. We have determined the basic stellar properties of F, K and G stars in the Strategic Exploration of Exoplanets and Disks with Subaru (SEEDS) survey from Echelle spectra taken at the Apache Point Observatory's 3.5m telescope. Using ROBOSPECT to extract line equivalent widths and Temperature Gravity microtrubulent Velocity ITerations to calculate the fundamental parameters, we have computed T(sub eff), log(g), v(sub t), [Fe/H], chromospheric activity and the age for our sample. Our methodology was calibrated against previously published results for a portion of our sample. The distribution of [Fe/H] in our sample is consistent with that typical of the Solar neighbourhood. Additionally, we find the ages of most of our sample are less than 500 Myr, but note that we cannot determine robust ages from significantly older stars via chromospheric activity age indicators. The future meta-analysis of the frequency of wide stellar and sub-stellar companions imaged via the SEEDS survey will utilize our results to constrain the occurrence of detected comoving companions with the properties of their host stars.

Strategic Exploration of Exoplanets and Disks with↗
NASA NTRS1989

A study of several F and G supergiant-like stars with infrared excesses as candidates for proto-planetary nebulae

Ground-based observations have been obtained for eight F and G supergiant-like stars showing large IR excesses. The combination of ground-based and IRAS data shows that these objects have dual-peak energy distributions, with comparable amounts of energy emitted in the visible and the IR. The IR-emitting cool dust shells are likely to represent the remnants of ejecta from an earlier phase of evolution. It is suggested that these eight objects are similar to IRAS 18095 + 2704 and are intermediate-mass stars in a post-AGB phase of evolution. Model fittings to the 0.4-100 micron energy distribution of these objects suggest that they left the AGB within the last 1000 yr.

Hrivnak, Bruce J.↗
DOE OSTI2024

Using the COSMIC Population Synthesis Code to Investigate How Metallicity Affects the Rates of Interacting Binaries

We use COSMIC, a galaxy population synthesis code, to investigate how metallicity affects the rate of formation of massive stars with a closely orbiting compact object companion. Metallicity—a crucial component to stellar evolution and binary system formation—can affect how and when these systems form. We present the formation time of these systems at different metallicities, and the anti-correlation the rates have with metallicity. In particular, these systems occur about 10 times more frequently at metallicities between Z = 2 × 10 −4 and 2 × 10 −3 , compared to those between Z = 2 × 10 −3 and 2 × 10 −2 . This work serves as a prerequisite to predicting global rates of these systems as a function of redshift, ultimately giving crucial insight into our understanding of the progenitors of long gamma-ray bursts and their evolution over cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Disk Dispersal Around Young Stars

We review the evidence pertaining to the lifetimes of planet-forming disks and discuss possible disk dispersal mechanisms: 1) viscous accretion of material onto the central source, 2) close stellar encounters, 3) stellar winds, and 4) by ultraviolet radiation. We focus on 3) and 4) and describe the quasi-steady state appearance and the overall evolution of disks under the influence of winds and radiation from the central star and of radiation from external OB stars. Viscous accretion likely dominates disk dispersal in the, inner disk (r approx. less than A 10 AU), while photoevaporation is the principal process of disk dispersal outside of r approximately greater than 10 AU. Disk dispersed timescales are compared and discussed in relation to theoretical estimates for planet formation timescales. Photoevaporation may explain the large differences in the hydrogen content of the giant planets in the solar system. The commonly held belief that our early sun's stellar wind dispersed the solar nebula is called into question.

Hollenbach, David↗
DOE OSTI2023

Photometric metallicity for 694 233 Galactic giant stars from Gaia DR3 synthetic Strömgren photometry: Metallicity distribution functions of halo substructures

We used two previous calibrations and the standardised synthetic photometry in the v, b, and y Strömgren passbands from Gaia DR3 BP/RP spectra to obtain photometric metallicities for a selected sample of 694 233 old Galactic giant stars having |b|> 20.0° and parallax uncertainties lower than 10%. The zero point of both sets of photometric metallicities has been shifted to ensure an optimal match with the spectroscopic [Fe/H] values for 44 785 stars in common with APOGEE DR17, focusing on the metallicity range where they provide the highest accuracy. The metallicities derived in this way from one calibration display a typical accuracy of ≲0.1 dex and 1σ precision ≲0.2 dex in the range -2.2 ≲ [Fe/H] ≲ - 0.4, while they show a systematic trend with [Fe/H] at higher metallicity, beyond the applicability range of the relation. Those derived from the other calibration display, in general, reduced precision, and lower accuracy in the metal-poor regime, but have a median accuracy < 0.05 dex for [Fe/H] ≥ - 0.8. These results are confirmed and, consequently, the metallicities are validated, by comparison with large sets of spectroscopic metallicities from various surveys. The newly obtained metallicities are used to derive metallicity distributions for several previously identified substructures in the Galactic halo with an unprecedented number of stars. The catalogue including the two sets of metallicities and the associated uncertainties is made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗