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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Long-term Results of the UCSF-LBNL Randomized Trial: Charged Particle With Helium Ion Versus Iodine-125 Plaque Therapy for Choroidal and Ciliary Body Melanoma

Purpose: Relevant clinical data are needed given the increasing national interest in charged particle radiation therapy (CPT) programs. Here we report long-term outcomes from the only randomized, stratified trial comparing CPT with iodine-125 plaque therapy for choroidal and ciliary body melanoma. Methods and Materials: From 1985 to 1991, 184 patients met eligibility criteria and were randomized to receive particle (86 patients) or plaque therapy (98 patients). Patients were stratified by tumor diameter, thickness, distance to disc/fovea, anterior extension, and visual acuity. Tumors close to the optic disc were included. Local tumor control, as well as eye preservation, metastases due to melanoma, and survival were evaluated. Results: Median follow-up times for particle and plaque arm patients were 14.6 years and 12.3 years, respectively (P=.22), and for those alive at last follow-up, 18.5 and 16.5 years, respectively (P=.81). Local control (LC) for particle versus plaque treatment was 100% versus 84% at 5 years, and 98% versus 79% at 12 years, respectively (log rank: P=.0006). If patients with tumors close to the disc (<2 mm) were excluded, CPT still resulted in significantly improved LC: 100% versus 90% at 5 years and 98% versus 86% at 12 years, respectively (log rank: P=.048). Enucleation rate was lower after CPT: 11% versus 22% at 5 years and 17% versus 37% at 12 years, respectively (log rank: P=.01). Using Cox regression model, likelihood ratio test, treatment was the most important predictor of LC (P=.0002) and eye preservation (P=.01). CPT was a significant predictor of prolonged disease-free survival (log rank: P=.001). Conclusions: Particle therapy resulted in significantly improved local control, eye preservation, and disease-free survival as confirmed by long-term outcomes from the only randomized study available to date comparing radiation modalities in choroidal and ciliary body melanoma.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Solubility of pyromorphite Pb 5 (PO 4 ) 3 Cl at 5–65°C and its experimentally determined thermodynamic parameters

Here, the solubility of synthetic pyromorphite Pb 5 (PO 4 ) 3 Cl was determined in a series of dissolution experiments conducted at 5–65 °C and at pH = 2.0. The equilibrium was established within 4 months. The dissolution of pyromorphite was congruent at all the temperatures, and the measured solubility product log K sp,298 for the dissolution reaction: Pb 5 (PO 4 ) 3 Cl ⇌ 5Pb 2+ + 3PO 4 3- + Cl - was determined to be –79.6 ± 0.15. The equilibrium ion activity product of pyromorphite increased with temperature, indicating a positive enthalpy of the dissolution reaction in the temperature range from 5 to 65 °C. The temperature dependence of the log K sp was nonlinear: log K sp = A – B/T + D log(T), where A = 478.77 ± 136.62, B = 29,378 ± 6215, and D = –185.81 ± 46.77. This allowed for calculation of ΔG° r = 454.0 ± 1.7 kJ·mol –1 , ΔH° r = 101.8 ± 6.0 J·mol –1 ·K –1 , ΔC° p,r = –1545 ± 388.9 J·mol –1 ·K –1 , and ΔS° r = –1181 ± 382 J·mol –1 ·K –1 of the dissolution reaction. Using these values and the published standard state quantities for constituent ions, the values of ΔG° f = –3764.3 ± 3.5 kJ·mol –1 , ΔH° f = –4108.4 ± 7.9 J·mol –1 ·K –1 , S° f = 622 ± 382 J·mol –1 ·K –1 , and C° pf = 402 ± 398 J·mol –1 ·K –1 were calculated for synthetic pyromorphite Pb 5 (PO 4 ) 3 Cl.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Growth and electrical transport properties of InGaN/GaN heterostructures grown by PAMBE

Highlights: • InGaN thin films were grown on GaN template by PAMBE. • InGaN films were characterized by HRXRD, SEM and PL and Raman spectroscopy. • The indium incorporation in single phase InGaN films was found to be 23%. • The I–V characteristic of the InGaN/GaN heterojunction shows rectifying behavior. • Log–log plot of the I–V characteristics indicates the presence of SCLC mechanism. - Abstract: InGaN epitaxial films were grown on GaN template by plasma-assisted molecular beam epitaxy. The composition of indium incorporation in single phase InGaN film was found to be 23%. The band gap energy of single phase InGaN was found to be ∼2.48 eV. The current–voltage (I–V) characteristic of InGaN/GaN heterojunction was found to be rectifying behavior which shows the presence of Schottky barrier at the interface. Log–log plot of the I–V characteristics under forward bias indicates the current conduction mechanism is dominated by space charge limited current mechanism at higher applied voltage, which is usually caused due to the presence of trapping centers. The room temperature barrier height and the ideality factor of the Schottky junction were found to 0.76 eV and 4.9 respectively. The non-ideality of the Schottky junction may be due to the presence of high pit density and dislocation density in InGaN film.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Investigation on the grain boundaries electrical characteristics of perovskite lithium ion conductors by derivative of tanδ approach

Graphical abstract: Cole–Cole impedance spectra for Li{sub 0.30}La{sub 0.56}TiO{sub 3}-SSR and Li{sub 0.30}La{sub 0.56}TiO{sub 3}-PC at 310 K and for Li{sub 0.30}Ca{sub 0.35}TaO{sub 3}-SSR and Li{sub 0.30}Ca{sub 0.35}TaO{sub 3}-PC at 473 K. - Highlights: • Li{sub 0.30}La{sub 0.56}TiO{sub 3} & Li{sub 0.30}Ca{sub 0.35}TaO{sub 3} perovskites made by Pechini polymerization route. • Relaxation processes of perovskites are analyzed by derivative of tanδ (α{sub θ}) method. • α{sub θ} (ν) graph resolves the two closer relaxation processes at grain boundary region. • SEM/TEM study supports the resolving ability of α{sub θ} vs log (ν) method. • χ{sup 2} improves from ∼10{sup −3} to ∼10{sup −5} for equivalent circuit fitting based on α{sub θ} peaks. - Abstract: We report on the grain boundaries electrical relaxation processes of Li{sub 0.30}La{sub 0.56}TiO{sub 3} and Li{sub 0.30}Ca{sub 0.35}TaO{sub 3} perovskites by derivative of the tanδ (α{sub θ}) method. The α{sub θ} vs log(ν) representation is clearly resolved the two grain boundary relaxation processes at grain boundary region for perovskites synthesized via the modified Pechini-type polymerization complex route in comparison to perovskites obtained by solid state reaction method. The resolving ability of α{sub θ} vs log(ν) representation is much higher than other complex impedance spectroscopic representations. The goodness of the fitting χ{sup 2} is improved from ∼10{sup −3} to ∼10{sup −5} for the electrical equivalent circuit fitting based on α{sub θ} vs log(ν) peaks.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Predicting Stability Constants for Uranyl Complexes Using Density Functional Theory

The ability to predict the equilibrium constants for the formation of 1:1 uranyl:ligand complexes (log K 1 values) provides the essential foundation for the rational design of ligands with enhanced uranyl affinity and selectivity. We also use density functional theory (B3LYP) and the IEFPCM continuum solvation model to compute aqueous stability constants for UO 2 2+ complexes with 18 donor ligands. Theoretical calculations permit reasonably good estimates of relative binding strengths, while the absolute log K 1 values are significantly overestimated. Accurate predictions of the absolute log K 1 values (root mean square deviation from experiment < 1.0 for log K 1 values ranging from 0 to 16.8) can be obtained by fitting the experimental data for two groups of mono and divalent negative oxygen donor ligands. The utility of correlations is demonstrated for amidoxime and imide dioxime ligands, providing a useful means of screening for new ligands with strong chelate capability to uranyl.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Tunneling across SAMs Containing Oligophenyl Groups

This paper reports rates of charge tunneling across self-assembled monolayers (SAMs) of compounds containing oligophenyl groups, supported on gold and silver, using Ga 2 O 3 /EGaIn as the top electrode. It compares the attenuation constant, $β$, and the pre-exponential parameter, $J_0$, of the simplified Simmons equation across oligophenyl groups (R = Ph n ; n = 1, 2, 3) with three different anchoring groups (thiol, HSR; methanethiol, HSCH 2 R; and acetylene, HC≡CR) that attach R to the template-stripped gold or silver substrate. The results demonstrate that the structure of the molecular linker between the anchoring group (-S- or -C≡C-) and the oligophenyl moiety significantly influences the rate of charge transport. SAMs of SPh n and C≡CPh n on gold show similar values of $β$ and log $|J_0|$ ($β$ = 0.28 ± 0.03 Å$^{–1}$ and log $|J_0|$ = 2.7 ± 0.1 for Au/SPhn; $β$ = 0.30 ± 0.02 $Å^{–1}$ and log $|J_0|$ = 3.0 ± 0.1 for Au/C≡CPh n ). The introduction of a single intervening methylene (CH 2 ) group between the anchoring sulfur atom and the aromatic units generates SAMs of SCH2Phn and increases $β$ to ca. 0.66 ± 0.06 $Å^{–1}$ on both gold and silver substrates. (For n-alkanethiolates on gold, the corresponding values are $β$ = 0.76 ± 0.03 $Å^{–1}$ and log $|J)0|$ = 4.2 ± 0.2). Density functional theory calculations indicate that the highest occupied molecular orbitals (HOMOs) of both SPh n and C≡CPh n extend beyond the anchoring group and onto the phenyl rings; SAMs composed of these two groups of molecules result in indistinguishable rates of charge transport. The introduction of the CH 2 group, to generate SCH 2 Ph n , disrupts the delocalization of the orbitals, localizes the HOMO on the anchoring sulfur atom, and results in the experimentally observed increase in $β$ to a value closer to that of a SAM of n-alkylthiolate molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Insights into Prismatic Loop Formation in Irradiated Fe–Cr Alloys from Hypothesis-Driven Active Learning and Causal Analysis

Neutron and electron irradiation experimental studies conducted on body-centered cubic Fe and Fe–Cr alloys have established two prismatic dislocation loop populations, which have Burgers vectors of either a/2$\langle$111$\rangle$ or a$\langle$100$\rangle$. Here, the loop formation depends on factors such as dose (D), dose rate (D rt ), temperature (T), chromium content (Cr%), and other alloying elements. Hence, it is important to understand how irradiation-induced dislocation loops evolve conditional upon the loop characteristics, such as loop density (DD), average loop size d̅, and irradiation parameters (D, D rt , T, and irradiation type), which is still an active area of research. To understand these complex structure–property relationships, machine learning (ML) is employed in a three-step approach. This includes imputing missing data with a k-nearest neighbor, generating functionalized features, and assessing feature importance with random forest classification and regression. Physics-based features are incorporated in a hypothesis-driven active learning scheme to overcome data unavailability challenges. Insights obtained from ML models (i) to categorize dislocation loop types, show the highest correlation with d̅; (ii) Log(DD), obtained through mathematical formulations involving D, Cr%, d̅, and T (e.g., Log(DD) ~ D + exp(-Cr%) + 1/d̅ and log(DD) ~ D + exp(-Cr%) + 1/T). Hypothesis-driven active learning is able to predict Log(DD) in which the experimental date is not known. Causal models verify cause–effect relationships for dislocation loop classification and irradiation factors in FeCr alloys.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Leveraging Natural Language Processing and Generative Models in Molecular Chemistry: Property Prediction and Novel Compound Generation

The accurate prediction of molecular properties is important for the rational design and the advancement of green chemistry and sustainable materials research. However, the predictive power of traditional computational chemistry methods is limited due to computational restrictions. Here, in this study, we examine an alternative approach to the accurate prediction of properties of organic compounds: natural language processing (NLP)-based molecular embedding. Using viscosity, partition coefficient (log P), and enthalpy of vaporization as test properties through a survey of comprehensive datasets comprising 5695 data points for viscosity, 25 870 data points for log P, and 2296 data points for enthalpy of vaporization. These are important properties for the design of greener, safer, and sustainable chemical processes. Models were trained using NLP methods such as Mol2vec and fine-tuned ChemBERTa, and results were compared with traditional input featurization techniques such as Morgan fingerprints and quantum chemistry derived sigma profiles and DFT features. Among the various machine learning models, Mol2vec demonstrated superior predictive capabilities, achieving the highest correlation coefficient (R 2 = 0.945) and lowest RMSE (0.106 mPa s) for viscosity, as well as high accuracy for log P and enthalpy of vaporization predictions. These findings establish the Mol2vec featurization technique, graph-convolutional neural networks (GCNN), and fine-tuned ChemBERTa model as powerful tools for predictive modeling of organic compounds properties, offering a significant improvement over previously used featurization techniques and opening up strategies for very-high-throughput computational screening. Finally, we integrated ML models with hybrid language-model-based generative adversarial networks (LM-GAN) to generate novel molecular sequences with desirable properties for different research applications. The ability to computationally design solvents with lower viscosity, lower log P, and lower enthalpy of vaporization offers a data-driven route to accelerating the discovery of sustainable alternatives to traditionally toxic solvents.

ChemBERTa↗
DOE OSTI2015

Photo-assisted intersystem crossing: The predominant triplet formation mechanism in some isolated polycyclic aromatic molecules excited with pulsed lasers

Naphthalene, anthracene, and phenanthrene are shown to have very long-lived triplet lifetimes when the isolated molecules are excited with nanosecond pulsed lasers resonant with the lowest singlet state. For naphthalene, triplet state populations are created only during the laser pulse, excluding the possibility of normal intersystem crossing at the one photon level, and all molecules have triplet lifetimes greater than hundreds of microseconds, similar to the behavior previously reported for phenylacetylene. Although containing 7–12 thousand cm{sup −1} of vibrational energy, the triplet molecules have ionization thresholds appropriate to vibrationless T{sub 1} states. The laser power dependences (slopes of log-log power plots) of the excited singlet and triplet populations are about 0.7 for naphthalene and about 0.5 for anthracene. Kinetic modeling of the power dependences successfully reproduces the experimental results and suggests that the triplet formation mechanism involves an enhanced spin orbit coupling caused by sigma character in states at the 2-photon level. Symmetry adapted cluster-configuration interaction calculations produced excited state absorption spectra to provide guidance for estimating kinetic rates and the sigma character present in higher electronic states. It is concluded that higher excited state populations are significant when larger molecules are excited with pulsed lasers and need to be taken into account whenever discussing the molecular photodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A strict test of stellar evolution models: The absolute dimensions of the massive benchmark eclipsing binary V578 Mon

We determine the absolute dimensions of the eclipsing binary V578 Mon, a detached system of two early B-type stars (B0V + B1V, P = 2.40848 days) in the star-forming region NGC 2244 of the Rosette Nebula. From the light curve analysis of 40 yr of photometry and the analysis of HERMES spectra, we find radii of 5.41 ± 0.04 R{sub ☉} and 4.29 ± 0.05 R{sub ☉}, and temperatures of 30,000 ± 500 K and 25,750 ± 435 K, respectively. We find that our disentangled component spectra for V578 Mon agree well with previous spectral disentangling from the literature. We also reconfirm the previous spectroscopic orbit of V578 Mon finding that masses of 14.54 ± 0.08 M{sub ☉} and 10.29 ± 0.06 M{sub ☉} are fully compatible with the new analysis. We compare the absolute dimensions to the rotating models of the Geneva and Utrecht groups and the models of the Granada group. We find that all three sets of models marginally reproduce the absolute dimensions of both stars with a common age within the uncertainty for gravity-effective temperature isochrones. However, there are some apparent age discrepancies for the corresponding mass-radius isochrones. Models with larger convective overshoot, >0.35, worked best. Combined with our previously determined apsidal motion of 0.07089{sub −0.00013}{sup +0.00021} deg cycle{sup –1}, we compute the internal structure constants (tidal Love number) for the Newtonian and general relativistic contribution to the apsidal motion as log k {sub 2} = –1.975 ± 0.017 and log k {sub 2} = –3.412 ± 0.018, respectively. We find the relativistic contribution to the apsidal motion to be small, <4%. We find that the prediction of log k {sub 2,theo} = –2.005 ± 0.025 of the Granada models fully agrees with our observed log k {sub 2}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Choirs H I galaxy groups: The metallicity of dwarf galaxies

We present a recalibration of the luminosity-metallicity relation for gas-rich, star-forming dwarfs to magnitudes as faint as M{sub R} ∼ –13. We use the Dopita et al. metallicity calibrations to calibrate the relation for all the data in this analysis. In metallicity-luminosity space, we find two subpopulations within a sample of high-confidence Sloan Digital Sky Survey (SDSS) DR8 star-forming galaxies: 52% are metal-rich giants and 48% are metal-medium galaxies. Metal-rich dwarfs classified as tidal dwarf galaxy (TDG) candidates in the literature are typically of metallicity 12 + log(O/H) = 8.70 ± 0.05, while SDSS dwarfs fainter than M{sub R} = –16 have a mean metallicity of 12 + log(O/H) = 8.28 ± 0.10, regardless of their luminosity, indicating that there is an approximate floor to the metallicity of low-luminosity galaxies. Our hydrodynamical simulations predict that TDGs should have metallicities elevated above the normal luminosity-metallicity relation. Metallicity can therefore be a useful diagnostic for identifying TDG candidate populations in the absence of tidal tails. At magnitudes brighter than M{sub R} ∼ –16, our sample of 53 star-forming galaxies in 9 H I gas-rich groups is consistent with the normal relation defined by the SDSS sample. At fainter magnitudes, there is an increase in dispersion of the metallicity of our sample, suggestive of a wide range of H I content and environment. In our sample, we identify three (16% of dwarfs) strong TDG candidates (12 + log(O/H) > 8.6) and four (21%) very metal-poor dwarfs (12 + log(O/H) < 8.0), which are likely gas-rich dwarfs with recently ignited star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Probing the large and massive circumgalactic medium of a galaxy at z ∼ 0.2 using a pair of quasars

We present an analysis of two O VI absorbers at redshift z {sub abs} = 0.227, which were detected in the spectra of two closely spaced QSO sightlines (Q 0107–025A and B) and observed with the Cosmic Origins Spectrograph onboard the Hubble Space Telescope. At the same redshift, the presence of a single bright (∼1.2L {sub *}) galaxy at an impact parameter of ∼200 kpc (proper) from both the sightlines was reported by Crighton et al. Using detailed photoionization models, we show that the high ionization phases of both the O VI absorbers have similar ionization conditions (e.g., log U ∼ –1.1 to –0.9), chemical enrichment (e.g., log Z ∼ –1.4 to –1.0), total hydrogen column density (e.g., log N {sub H}(cm{sup –2}) ∼ 19.6 – 19.7), and line of sight thickness (e.g., l {sub los} ∼ 600-800 kpc). Therefore we speculate that the O VI absorbers are tracing different parts of same large-scale structure, presumably the circumgalactic medium (CGM) of the identified galaxy. Using sizes along and transverse to the line of sight, we estimate the size of the CGM to be R ∼ 330 kpc. The baryonic mass associated with this large CGM as traced by O VI absorption is ∼1.2 × 10{sup 11} M {sub ☉}. A low ionization phase is detected in one of the O VI systems with near-solar metallicity (log Z = 0.20 ± 0.20) and parsec scale size (l {sub los} ∼ 6 pc), possibly tracing the neutral phase of a high-velocity cloud embedded within the CGM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Curvature of the spectral energy distributions of blazars

In this paper, spectral energy distributions (SED) of both synchrotron and inverse Compton (IC) components of a sample of Fermi bright blazars are fitted by a log-parabolic law. The second-degree term of the log parabola measures the curvature of an SED. We find a statistically significant correlation between the synchrotron peak frequency and its curvature. This result is in agreement with the theoretical prediction and confirms previous studies that dealt with a single source with observations at various epochs or a small sample. If a broken power law is employed to fit the SED, the difference between the two spectral indices (i.e., |α{sub 2} – α{sub 1}|) can be considered a 'surrogate' of the SED curvature. We collect data from the literature and find a correlation between the synchrotron peak frequency and the spectral difference. We do not find a significant correlation between the IC peak frequency and its curvature, which may be caused by a complicated seed photon field. It is also found that the synchrotron curvatures are on average larger than those of IC curvatures, and there is no correlation between these two parameters. As suggested by previous works, both the log-parabolic law of the SED and the above correlation can be explained by statistical and/or stochastic particle accelerations. Based on a comparison of the slops of the correlation, our result seems to favor stochastic acceleration mechanisms and emission processes. Additional evidence, including SED modeling, particle acceleration simulation, and comparisons between some predictions and empirical relations/correlations, also seems to support the idea that the electron energy distribution (and/or synchrotron SED) may be log-parabolic.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Star formation rates from [C II] 158 μm and mid-infrared emission lines for starbursts and active galactic nuclei

A summary is presented for 130 galaxies observed with the Herschel Photodetector Array Camera and Spectrometer instrument to measure fluxes for the [C II] 158 μm emission line. Sources cover a wide range of active galactic nucleus to starburst classifications, as derived from polycyclic aromatic hydrocarbon strength measured with the Spitzer Infrared Spectrograph. Redshifts from [C II] and line to continuum strengths (equivalent width (EW) of [C II]) are given for the full sample, which includes 18 new [C II] flux measures. Calibration of L([C II)]) as a star formation rate (SFR) indicator is determined by comparing [C II] luminosities with mid-infrared [Ne II] and [Ne III] emission line luminosities; this gives the same result as determining SFR using bolometric luminosities of reradiating dust from starbursts: log SFR = log L([C II)]) – 7.0, for SFR in M{sub ☉} yr{sup –1} and L([C II]) in L{sub ☉}. We conclude that L([C II]) can be used to measure SFR in any source to a precision of ∼50%, even if total source luminosities are dominated by an active galactic nucleus (AGN) component. The line to continuum ratio at 158 μm, EW([C II]), is not significantly greater for starbursts (median EW([C II]) = 1.0 μm) compared to composites and AGNs (median EW([C II]) = 0.7 μm), showing that the far-infrared continuum at 158 μm scales with [C II] regardless of classification. This indicates that the continuum at 158 μm also arises primarily from the starburst component within any source, giving log SFR = log νL{sub ν}(158 μm) – 42.8 for SFR in M{sub ☉} yr{sup –1} and νL{sub ν}(158 μm) in erg s{sup –1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Systematic non-LTE study of the −2.6 ≤ [Fe/H] ≤ 0.2 F and G dwarfs in the solar neighborhood. I. Stellar atmosphere parameters

We present atmospheric parameters for 51 nearby F and G dwarf and subgiant stars uniformly distributed over the −2.60<[Fe/H]<+0.20 metallicity range that is suitable for the Galactic chemical evolution research. Lines of iron in the two ionization stages, Fe i and Fe ii, were used to derive a homogeneous set of effective temperatures, surface gravities, iron abundances, and microturbulence velocities. Our spectroscopic analyses took advantage of employing high-resolution (R ≥ 60,000) Shane/Hamilton and Canada–France–Hawaii Telescope/ESPaDOnS observed spectra and non-LTE (NLTE) line formation for Fe i and Fe ii in the classical one-dimensional model atmospheres. The spectroscopic method was tested in advance with the 20 benchmark stars, for which there are multiple measurements of the infrared flux method effective temperature and their Hipparcos parallax error is less than 10%. We found NLTE abundances from lines of Fe i and Fe ii to be consistent within 0.06 dex for every benchmark star, when applying a scaling factor of S{sub H} = 0.5 to the Drawinian rates of inelastic Fe+H collisions. The obtained atmospheric parameters were checked for each program star by comparing its position in the log g–T{sub eff} plane with the theoretical evolutionary track of given metallicity and α-enhancement in the Yi et al. grid. Our final effective temperatures lie exactly in between the T{sub IRFM} scales of Alonso et al. and Casagrande et al., with a mean difference of +46 and −51 K, respectively. NLTE leads to higher surface gravity compared with that for LTE. The shift in log g is smaller than 0.1 dex for stars with [Fe/H] ⩾−0.75, T{sub eff} ≤ 5750 K, or log g ≥ 4.20. NLTE analysis is crucial for the very metal-poor turnoff and subgiant stars, for which the shift in log g between NLTE and LTE can be up to 0.5 dex. The obtained accurate atmospheric parameters will be used in the forthcoming papers to determine NLTE abundances of important astrophysical elements from lithium to europium and to improve observational constraints on the chemodynamical models of the Galaxy evolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Radio jet feedback and star formation in heavily obscured, hyperluminous quasars at redshifts ∼ 0.5–3. I. ALMA observations

We present Atacama Large Millimeter/submillimeter Array (ALMA) 870 μm (345 GHz) data for 49 high-redshift (0.47 < z < 2.85), luminous (11.7<log(L{sub bol}/L{sub ⊙})<14.2) radio-powerful active galactic nuclei (AGNs), obtained to constrain cool dust emission from starbursts concurrent with highly obscured radiative-mode black hole (BH) accretion in massive galaxies that possess a small radio jet. The sample was selected from the Wide-field Infrared Survey Explorer with extremely steep (red) mid-infrared colors and with compact radio emission from NVSS/FIRST. Twenty-six sources are detected at 870 μm, and we find that the sample has large mid- to far-infrared luminosity ratios, consistent with a dominant and highly obscured quasar. The rest-frame 3 GHz radio powers are 24.7<log(P{sub 3.0 GHz}/W Hz{sup −1})<27.3, and all sources are radio-intermediate or radio-loud. BH mass estimates are 7.7 < log(M{sub BH}/M{sub ⊙}) < 10.2. The rest-frame 1–5 μm spectral energy distributions are very similar to the “Hot DOGs” (hot dust-obscured galaxies), and steeper (redder) than almost any other known extragalactic sources. ISM masses estimated for the ALMA-detected sources are 9.9 < log (M{sub ISM}/M{sub ⊙}) < 11.75 assuming a dust temperature of 30 K. The cool dust emission is consistent with star formation rates reaching several thousand M{sub ⊙} yr{sup −1}, depending on the assumed dust temperature, but we cannot rule out the alternative that the AGN powers all the emission in some cases. Our best constrained source has radiative transfer solutions with approximately equal contributions from an obscured AGN and a young (10–15 Myr) compact starburst.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

KECK AND VLT OBSERVATIONS OF SUPER-DAMPED Lyα ABSORBERS AT z ∼ 2–2.5: CONSTRAINTS ON CHEMICAL COMPOSITIONS AND PHYSICAL CONDITIONS

We report Keck/Echellette Spectrograph and Imager and Very Large Telescope/Ultraviolet-Visual Echelle Spectrograph observations of three super-damped Lyα quasar absorbers with H i column densities log N{sub H} {sub i} ≥ 21.7 at redshifts 2 ≲ z ≲ 2.5. All three absorbers show similar metallicities (∼−1.3 to −1.5 dex), and dust depletion of Fe, Ni, and Mn. Two of the absorbers show supersolar [S/Zn] and [Si/Zn]. We combine our results with those for other damped Lyα a absorbers (DLAs) to examine trends between N{sub H} {sub i}, metallicity, and dust depletion. A larger fraction of the super-DLAs lie close to or above the line [X/H] = 20.59 − log N{sub H} {sub i} in the metallicity versus N{sub H} {sub i} plot, compared to the less gas-rich DLAs, suggesting that super-DLAs are more likely to be rich in molecules. Unfortunately, our data for Q0230−0334 and Q0743+1421 do not cover H{sub 2} absorption lines. For Q1418+0718, some H{sub 2} lines are covered, but not detected. CO is not detected in any of our absorbers. For DLAs with log N{sub H} {sub i} < 21.7, we confirm strong correlation between metallicity and Fe depletion, and find a correlation between metallicity and Si depletion. For super-DLAs, these correlations are weaker or absent. The absorbers toward Q0230−0334 and Q1418+0718 show potential detections of weak Lyα emission, implying star formation rates of ∼1.6 and ∼0.7 M{sub ⊙} yr{sup −1}, respectively (ignoring dust extinction). Upper limits on the electron densities from C ii*/C ii or Si ii*/Si ii are low, but are higher than the median values in less gas-rich DLAs. Finally, systems with log N{sub H} {sub i} > 21.7 may have somewhat narrower velocity dispersions Δv{sub 90} than the less gas-rich DLAs, and may arise in cooler and/or less turbulent gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Comparing Galactic Center MSSM dark matter solutions to the Reticulum II gamma-ray data

Observations with the Fermi Large Area Telescope (LAT) indicate a possible small photon signal originating from the dwarf galaxy Reticulum II that exceeds the expected background between 2 GeV and 10 GeV. We have investigated two specific scenarios for annihilating WIMP dark matter within the phenomenological Minimal Supersymmetric Standard Model (pMSSM) framework as a possible source for these photons. We find that the same parameter ranges in pMSSM as reported by an earlier paper to be consistent with the Galactic Center excess, are also consistent with the excess observed in Reticulum II, resulting in a J-factor of log{sub 10} (J(α{sub int}=0.5{sup ∘}))≃(20.3−20.5){sub −0.3}{sup +0.2} GeV{sup 2}cm{sup −5}. This J-factor is consistent with log{sub 10} (J(α{sub int}=0.5{sup ∘}))=19.6{sub −0.7}{sup +1.0} GeV{sup 2}cm{sup −5}, which was derived using an optimized spherical Jeans analysis of kinematic data obtained from the Michigan/Magellan Fiber System (M2FS)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗