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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
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 OSTI2011

Virus Disinfection in Water by Biogenic Silver Immobilized in Polyvinylidene Fluoride Membranes

The development of innovative water disinfection strategies is of utmost importance to prevent outbreaks of waterborne diseases related to poor treatment of (drinking) water. Recently, the association of silver nanoparticles with the bacterial cell surface of Lactobacillus fermentum (referred to as biogenic silver or bio-Ag{sup 0}) has been reported to exhibit antiviral properties. The microscale bacterial carrier matrix serves as a scaffold for Ag{sup 0} particles, preventing aggregation during encapsulation. In this study, bio-Ag{sup 0} was immobilized in different microporous PVDF membranes using two different pre-treatments of bio-Ag{sup 0} and the immersion-precipitation method. Inactivation of UZ1 bacteriophages using these membranes was successfully demonstrated and was most probably related to the slow release of Ag{sup +} from the membranes. At least a 3.4 log decrease of viruses was achieved by application of a membrane containing 2500 mg bio-Ag{sup 0}{sub powder} m{sup -2} in a submerged plate membrane reactor operated at a flux of 3.1 L m{sup -2} h{sup -1}. Upon startup, the silver concentration in the effluent initially increased to 271 {mu}g L{sub -1} but after filtration of 31 L m{sup -2}, the concentration approached the drinking water limit (= 100 {mu}g L{sup -1}). A virus decline of more than 3 log was achieved at a membrane flux of 75 L m{sup -2} h{sup -1}, showing the potential of this membrane technology for water disinfection on small scale.

59 BASIC BIOLOGICAL SCIENCES↗
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 OSTI2011

NEAR-INFRARED IMAGING OF SIX METAL-RICH QUASAR ABSORBER GALAXY FIELDS

Absorption lines in quasar spectra allow us to locate and study intervening galaxies. In order to obtain a clearer picture of these absorber galaxies, we have used the Near-Infrared Camera Fabry-Perot System at Apache Point Observatory to obtain near-infrared broadband images in one or more filters (J and K{sub s} ) of six quasar fields containing metal-rich low-z damped or sub-damped Ly{alpha} systems. These data allow us to search for the galaxies and constrain their luminosities. Candidate absorber galaxies are detected at 2.''01-7.''38 separation from the quasar in three out of six fields in the J and K{sub s} bands at >3{sigma} level with luminosities ranging from log(L/L{sub sun}) = 10.44-10.36 in the J band (for E-Sc type galaxies) and log(L/L{sub sun}) = 11.59-10.03 in the K{sub s} band for our detections. We place limits on the remaining fields with no detections of log(L/L{sub sun}) <10.83-9.75 for the J band and log(L/L{sub sun}) <10.43-10.05 for the K{sub s} band. We are also able to utilize Sloan Digital Sky Survey spectra for each field to calculate optical fluxes and limits as well as limits on star formation rate via [O II]{lambda}3727 emission in spectra. Our data, combined with other recent imaging results for metal-rich absorbers, suggest a possible positive correlation between absorber metallicity and galaxy luminosity, although the samples are still small.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

A NEW SYNTHETIC LIBRARY OF THE NEAR-INFRARED Ca II TRIPLET INDICES. I. INDEX DEFINITION, CALIBRATION, AND RELATIONS WITH STELLAR ATMOSPHERIC PARAMETERS

Adopting the SPECTRUM package, which is a stellar spectral synthesis program, we have synthesized a comprehensive set of 2890 near-infrared (NIR) synthetic spectra with a resolution and wavelength sampling similar to the Sloan Digital Sky Survey (SDSS) and the forthcoming Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) spectra. During the synthesis, we applied the 'New grids of ATLAS9 Model Atmosphere' to develop a grid of local thermodynamic equilibrium model atmospheres for effective temperatures (T{sub eff}) ranging from 3500 to 7500 K, for surface gravities (log g) from 0.5 to 5.0 dex, for metallicities ([Fe/H]) from -4.0 to 0.5 dex, and for solar ([{alpha}/Fe] = 0.0 dex) and non-solar ([{alpha}/Fe] = +0.4 dex) abundances. This synthetic stellar library is composed of 1350 solar scaled abundance (SSA) and 1530 non-solar scaled abundance (NSSA) spectra, grounding on which we have defined a new set of NIR Ca II triplet indices and an index CaT as the sum of the three. These defined indices were automatically measured on every spectrum of the synthetic stellar library and calibrated with the indices computed on the observational spectra from the INDO-U.S. stellar library. In order to check the effect of {alpha}-element enhancement on the so-defined Ca II indices, we compared indices measured on the SSA spectra with those on the NSSA ones at the same trine of stellar parameters (T{sub eff}, log g, [Fe/H]); luckily, little influences of {alpha}-element enhancement were found. Furthermore, comparisons of our synthetic indices with the observational ones from measurements on the INDO-U.S. stellar library, the SDSS-DR7 and SDSS-DR8 spectroscopic survey are presented, respectively, for dwarfs and giants in specific. For dwarfs, our synthetic indices could well reproduce the behaviors of the observational indices versus stellar parameters, which verifies the validity of our index definitions for dwarfs. For giants, the consistency between our synthetic indices and the observational ones does not appear to be as good. However, a new synthetic library of NIR Ca II indices has been founded for deeper studies on the NIR wave band of stellar spectra, and this library is particularly appropriate for the SDSS and the forthcoming LAMOST stellar spectra. We have regressed the strength of the CaT index as a function of stellar parameters for both dwarfs and giants after a series of experimental investigations into relations of the indices with stellar parameters. For dwarfs, log g has little effect on the indices, while [Fe/H] and T{sub eff} play a role together. The leading factor is probably [Fe/H], which changes the strength of the indices by a positive trend. For giants, log g starts to influence the strength of the indices by a negative trend for the metal-poor, and even impact deeply for the metal-rich; besides, [Fe/H] and T{sub eff} still matter. In addition, we briefly discussed the major differences between our Ca II triplet indices and the CaHK doublet indices. Ultimately, a supplemental experiment was carried out to show that spectral noises do have effects on our set of NIR Ca II indices. However, the influence is not weak enough to be ignored if the signal-to-noise ratio falls below 20.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2010

COMPARING ULTRAVIOLET- AND INFRARED-SELECTED STARBURST GALAXIES IN DUST OBSCURATION AND LUMINOSITY

We present samples of starburst galaxies that represent the extremes discovered with infrared and ultraviolet observations, including 25 Markarian galaxies, 23 ultraviolet-luminous galaxies discovered with GALEX, and the 50 starburst galaxies having the largest infrared/ultraviolet ratios. These sources have z < 0.5 and cover a luminosity range of {approx}10{sup 4}. Comparisons between infrared luminosities determined with the 7.7 {mu}m polycyclic aromatic hydrocarbon feature and ultraviolet luminosities from the stellar continuum at 153 nm are used to determine obscuration in starbursts and dependence of this obscuration on infrared or ultraviolet luminosity. A strong selection effect arises for the ultraviolet-selected samples: the brightest sources appear bright because they have the least obscuration. Obscuration correction for the ultraviolet-selected Markarian+GALEX sample has the form log[UV(intrinsic)/UV(observed)] = 0.07({+-}0.04)M(UV) + 2.09 {+-} 0.69 but for the full infrared-selected Spitzer sample is log[UV(intrinsic)/UV(observed)] = 0.17({+-}0.02)M(UV) + 4.55 {+-} 0.4. The relation of total bolometric luminosity L {sub ir} to M(UV) is also determined for infrared-selected and ultraviolet-selected samples. For ultraviolet-selected galaxies, log L {sub ir} = -(0.33 {+-} 0.04)M(UV) + 4.52 {+-} 0.69. For the full infrared-selected sample, log L {sub ir} = -(0.23 {+-} 0.02)M(UV) + 6.99 {+-} 0.41, all for L {sub ir} in L{sub sun} and M(UV) the AB magnitude at rest frame 153 nm. These results imply that obscuration corrections by factors of 2-3 determined from reddening of the ultraviolet continuum for Lyman break galaxies with z>2 are insufficient, and should be at least a factor of 10 for M(UV) {approx} -17, with decreasing correction for more luminous sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

THE SPECTRAL ENERGY DISTRIBUTION OF FERMI BRIGHT BLAZARS

We have conducted a detailed investigation of the broadband spectral properties of the {gamma}-ray selected blazars of the Fermi LAT Bright AGN Sample (LBAS). By combining our accurately estimated Fermi {gamma}-ray spectra with Swift, radio, infra-red, optical, and other hard X-ray/{gamma}-ray data, collected within 3 months of the LBAS data taking period, we were able to assemble high-quality and quasi-simultaneous spectral energy distributions (SED) for 48 LBAS blazars. The SED of these {gamma}-ray sources is similar to that of blazars discovered at other wavelengths, clearly showing, in the usual log {nu}-log {nu} F {sub {nu}} representation, the typical broadband spectral signatures normally attributed to a combination of low-energy synchrotron radiation followed by inverse Compton emission of one or more components. We have used these SED to characterize the peak intensity of both the low- and the high-energy components. The results have been used to derive empirical relationships that estimate the position of the two peaks from the broadband colors (i.e., the radio to optical, {alpha}{sub ro}, and optical to X-ray, {alpha}{sub ox}, spectral slopes) and from the {gamma}-ray spectral index. Our data show that the synchrotron peak frequency ({nu} {sup S} {sub peak}) is positioned between 10{sup 12.5} and 10{sup 14.5} Hz in broad-lined flat spectrum radio quasars (FSRQs) and between 10{sup 13} and 10{sup 17} Hz in featureless BL Lacertae objects. We find that the {gamma}-ray spectral slope is strongly correlated with the synchrotron peak energy and with the X-ray spectral index, as expected at first order in synchrotron-inverse Compton scenarios. However, simple homogeneous, one-zone, synchrotron self-Compton (SSC) models cannot explain most of our SED, especially in the case of FSRQs and low energy peaked (LBL) BL Lacs. More complex models involving external Compton radiation or multiple SSC components are required to reproduce the overall SED and the observed spectral variability. While more than 50% of known radio bright high energy peaked (HBL) BL Lacs are detected in the LBAS sample, only less than 13% of known bright FSRQs and LBL BL Lacs are included. This suggests that the latter sources, as a class, may be much fainter {gamma}-ray emitters than LBAS blazars, and could in fact radiate close to the expectations of simple SSC models. We categorized all our sources according to a new physical classification scheme based on the generally accepted paradigm for Active Galactic Nuclei and on the results of this SED study. Since the LAT detector is more sensitive to flat spectrum {gamma}-ray sources, the correlation between {nu} {sup S} {sub peak} and {gamma}-ray spectral index strongly favors the detection of high energy peaked blazars, thus explaining the Fermi overabundance of this type of sources compared to radio and EGRET samples. This selection effect is similar to that experienced in the soft X-ray band where HBL BL Lacs are the dominant type of blazars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

EXPLORING THE ORIGIN AND FATE OF THE MAGELLANIC STREAM WITH ULTRAVIOLET AND OPTICAL ABSORPTION

We present an analysis of ionization and metal enrichment in the Magellanic Stream (MS), the nearest gaseous tidal stream, using Hubble Space Telescope/STIS and FUSE ultraviolet spectroscopy of two background active galactic nuclei. The targets are NGC 7469, lying directly behind the MS with log N(H I){sub MS} = 18.63 {+-} 0.03(stat) {+-} 0.08(syst), and Mrk 335, lying 24.{sup 0}7 away with log N(H I){sub MS} = 16.67 {+-} 0.05. For NGC 7469, we include optical spectroscopy from VLT/UVES. In both sight lines, the MS is detected in low-ion (O I, C II, C III, Si II, Si III, Al II, Ca II) and high-ion (O VI, C IV, Si IV) absorption. Toward NGC 7469, we measure an MS oxygen abundance [O/H]{sub MS} = [O I/H I] = -1.00 {+-} 0.05(stat) {+-} 0.08(syst), supporting the view that the Stream originates in the Small Magellanic Cloud rather than the Large Magellanic Cloud. We use CLOUDY to model the low-ion phase of the Stream as a photoionized plasma using the observed Si III/Si II and C III/C II ratios. Toward Mrk 335, this yields an ionization parameter between log U = -3.45 and -3.15, a gas density log (n {sub H}/cm{sup -3}) between -2.51 and -2.21, and a hydrogen ionization fraction of 98.9%-99.5%. Toward NGC 7469, we derive sub-solar abundance ratios for [Si/O], [Fe/O], and [Al/O], indicating the presence of dust in the MS. The high-ion column densities are too large to be explained by photoionization, but also cannot be explained by a single-temperature collisional ionization model (equilibrium or non-equilibrium). This suggests that the high-ion plasma is multi-phase, with an Si IV region, a hotter O VI region, and C IV potentially contributing to each. Summing over the low-ion and high-ion phases, we derive conservative lower limits on the ratio N(total H II)/N(H I) of {approx}>19 toward NGC 7469 and {approx}>330 toward Mrk 335, showing that along these two directions the vast majority of the Stream has been ionized. The presence of warm-hot plasma together with the small-scale structure observed at 21 cm provides evidence for an evaporative interaction with the hot Galactic corona. This scenario, predicted by hydrodynamical simulations, suggests that the fate of the MS will be to replenish the Galactic corona with new plasma, rather than to bring neutral fuel to the disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

FREQUENCY OF SOLAR-LIKE SYSTEMS AND OF ICE AND GAS GIANTS BEYOND THE SNOW LINE FROM HIGH-MAGNIFICATION MICROLENSING EVENTS IN 2005-2008

We present the first measurement of the planet frequency beyond the 'snow line', for the planet-to-star mass-ratio interval -4.5 < log q < -2, corresponding to the range of ice giants to gas giants. We find (d{sup 2}N{sub pl})/(d log q d log s) = (0.36{+-}0.15) dex{sup -2} at the mean mass ratio q = 5 x 10{sup -4} with no discernible deviation from a flat (Oepik's law) distribution in log-projected separation s. The determination is based on a sample of six planets detected from intensive follow-up observations of high-magnification (A>200) microlensing events during 2005-2008. The sampled host stars have a typical mass M{sub host} {approx} 0.5 M {sub sun}, and detection is sensitive to planets over a range of planet-star-projected separations (s {sup -1}{sub max} R {sub E}, s{sub max} R {sub E}), where R {sub E} {approx} 3.5 AU(M{sub host}/M{sub sun}){sup 1/2} is the Einstein radius and s {sub max} {approx} (q/10{sup -4.3}){sup 1/3}. This corresponds to deprojected separations roughly three times the 'snow line'. We show that the observations of these events have the properties of a 'controlled experiment', which is what permits measurement of absolute planet frequency. High-magnification events are rare, but the survey-plus-follow-up high-magnification channel is very efficient: half of all high-mag events were successfully monitored and half of these yielded planet detections. The extremely high sensitivity of high-mag events leads to a policy of monitoring them as intensively as possible, independent of whether they show evidence of planets. This is what allows us to construct an unbiased sample. The planet frequency derived from microlensing is a factor 8 larger than the one derived from Doppler studies at factor {approx}25 smaller star-planet separations (i.e., periods 2-2000 days). However, this difference is basically consistent with the gradient derived from Doppler studies (when extrapolated well beyond the separations from which it is measured). This suggests a universal separation distribution across 2 dex in planet-star separation, 2 dex in mass ratio, and 0.3 dex in host mass. Finally, if all planetary systems were 'analogs' of the solar system, our sample would have yielded 18.2 planets (11.4 'Jupiters', 6.4 'Saturns', 0.3 'Uranuses', 0.2 'Neptunes') including 6.1 systems with two or more planet detections. This compares to six planets including one two-planet system in the actual sample, implying a first estimate of 1/6 for the frequency of solar-like systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

UNDERSTANDING PHYSICAL CONDITIONS IN HIGH-REDSHIFT GALAXIES THROUGH C I FINE STRUCTURE LINES: DATA AND METHODOLOGY

We probe the physical conditions in high-redshift galaxies, specifically, the damped Ly{alpha} systems (DLAs) using neutral carbon (C I) fine structure lines and molecular hydrogen (H{sub 2}). We report five new detections of C I and analyze the C I in an additional two DLAs with previously published data. We also present one new detection of H{sub 2} in a DLA. We present a new method of analysis that simultaneously constrains both the volume density and the temperature of the gas, as opposed to previous studies that a priori assumed a gas temperature. We use only the column density of C I measured in the fine structure states and the assumption of ionization equilibrium in order to constrain the physical conditions in the gas. We present a sample of 11 C I velocity components in six DLAs and compare their properties to those derived by the global C II* technique. The resulting median values for this sample are (n(H I)) = 69 cm{sup -3}, (T) = 50 K, and (log(P/k)) = 3.86 cm{sup -3} K, with standard deviations, {sigma}{sub n(H{sub i})} = 134 cm{sup -3}, {sigma}{sub T} = 52 K, and {sigma}{sub log(P/k)} = 3.68 cm{sup -3} K. This can be compared with the integrated median values for the same DLAs: (n(H I)) = 2.8 cm{sup -3}, (T) = 139 K, and (log(P/k)) = 2.57 cm{sup -3} K, with standard deviations {sigma}{sub n(H{sub i})} = 3.0 cm{sup -3}, {sigma}{sub T} = 43 K, and {sigma}{sub log(P/k)} = 0.22 cm{sup -3} K. Interestingly, the pressures measured in these high-redshift C I clouds are similar to those found in the Milky Way. We conclude that the C I gas is tracing a higher-density, higher-pressure region, possibly indicative of post-shock gas or a photodissociation region on the edge of a molecular cloud. We speculate that these clouds may be direct probes of the precursor sites of star formation in normal galaxies at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

THE ARECIBO LEGACY FAST ALFA SURVEY. X. THE H I MASS FUNCTION AND {Omega}{sub H{sub i}} FROM THE 40% ALFALFA SURVEY

The Arecibo Legacy Fast ALFA (ALFALFA) survey has completed source extraction for 40% of its total sky area, resulting in the largest sample of H I-selected galaxies to date. We measure the H I mass function from a sample of 10,119 galaxies with 6.2 < log (M{sub H{sub i}}/M{sub sun}) < 11.0 and with well-described mass errors that accurately reflect our knowledge of low-mass systems. We characterize the survey sensitivity and its dependence on profile velocity width, the effect of large-scale structure, and the impact of radio frequency interference in order to calculate the H I mass function with both the 1/V{sub max} and 2DSWML methods. We also assess a flux-limited sample to test the robustness of the methods applied to the full sample. These measurements are in excellent agreement with one another; the derived Schechter function parameters are {phi}{sub *} (h {sup 3}{sub 70} Mpc{sup -3} dex{sup -1}) = 4.8 {+-} 0.3 x 10{sup -3}, log (M{sub *}/M{sub sun}) + 2 log h{sub 70} = 9.96 {+-} 0.02, and {alpha} = -1.33 {+-} 0.02. We find {Omega}{sub H{sub i}}= 4.3 {+-} 0.3 x10{sup -4} h {sup -1}{sub 70}, 16% larger than the 2005 HIPASS result, and our Schechter function fit extrapolated to log (M{sub H{sub i}}/M{sub sun}) = 11.0 predicts an order of magnitude more galaxies than HIPASS. The larger values of {Omega}{sub H{sub i}} and of M{sub *} imply an upward adjustment for estimates of the detection rate of future large-scale H I line surveys with, e.g., the Square Kilometer Array. A comparison with simulated galaxies from the Millennium Run and a treatment of photoheating as a method of baryon removal from H I-selected halos indicate that the disagreement between dark matter mass functions and baryonic mass functions may soon be resolved.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

CLASSIFICATION OF FIELD DWARFS AND GIANTS IN RAVE AND ITS USE IN STELLAR STREAM DETECTION

Samples of bright stars, as they emerge from surveys such as RAVE, contain comparable fractions of dwarf and giant stars. An efficient separation of these two luminosity classes is therefore important, especially for studies in which distances are estimated through photometric parallax relations. We use the available spectroscopic log g estimates from the second RAVE data release (DR2) to assign each star a probability for being a dwarf or subgiant/giant based on mixture model fits to the log g distribution in different color bins. We further attempt to use these stars as a labeled training set in order to classify stars which lack log g estimates into dwarfs and giants with a Support Vector Machine algorithm. We assess the performance of this classification against different choices of the input feature vector. In particular, we use different combinations of reduced proper motions, 2MASS JHK, DENIS IJK, and USNO-B B2R2 apparent magnitudes. Our study shows that-for our color ranges-the infrared bands alone provide no relevant information to separate dwarfs and giants. Even when optical bands and reduced proper motions are added, the fraction of true giants classified as dwarfs (the contamination) remains above 20%. Using only the dwarfs with available spectroscopic log g and distance estimates (the latter from Breddels et al.), we then repeat the stream search by Klementet al. (KFR08), which assumed that all stars were dwarfs and claimed the discovery of a new stellar stream at V {approx} -160 km s{sup -1} in a sample of 7015 stars from RAVE DR1. The existence of the KFR08 stream has been supported by two recent studies using other independent data sets. Our re-analysis of the pure DR2 dwarf sample exhibits an overdensity of five stars at the phase-space position of the KFR08 stream, with a metallicity distribution that appears inconsistent with that of stars at comparably low rotational velocities. Compared to several smooth Milky Way models, the mean standardized deviation of the KFR08 stream is only marginal at 1.6 {+-} 0.4. Our data therefore do not allow to draw definite conclusions about its existence, but future RAVE data releases and other (best spectroscopic) surveys are going to help in resolving this issue.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

EUV SPECTRAL LINE FORMATION AND THE TEMPERATURE STRUCTURE OF ACTIVE REGION FAN LOOPS: OBSERVATIONS WITH HINODE/EIS AND SDO/AIA

With the aim of studying active region fan loops using observations from the Hinode EUV Imaging Spectrometer (EIS) and Solar Dynamics Observatory Atmospheric Imaging Assembly (AIA), we investigate a number of inconsistencies in modeling the absolute intensities of Fe VIII and Si VII lines, and address why spectroheliograms formed from these lines look very similar despite the fact that ionization equilibrium calculations suggest that they have significantly different formation temperatures: log(T{sub e} /K) = 5.6 and 5.8, respectively. It is important to resolve these issues because confidence has been undermined in their use for differential emission measure (DEM) analysis, and Fe VIII is the main contributor to the AIA 131 A channel at low temperatures. Furthermore, the strong Fe VIII 185.213 A and Si VII 275.368 A lines are the best EIS lines to use for velocity studies in the transition region, and for assigning the correct temperature to velocity measurements in the fans. We find that the Fe VIII 185.213 A line is particularly sensitive to the slope of the DEM, leading to disproportionate changes in its effective formation temperature. If the DEM has a steep gradient in the log(T{sub e} /K) = 5.6-5.8 temperature range, or is strongly peaked, Fe VIII 185.213 A and Si VII 275.368 A will be formed at the same temperature. We show that this effect explains the similarity of these images in the fans. Furthermore, we show that the most recent ionization balance compilations resolve the discrepancies in absolute intensities. With these difficulties overcome, we combine EIS and AIA data to determine the temperature structure of a number of fan loops and find that they have peak temperatures of 0.8-1.2 MK. The EIS data indicate that the temperature distribution has a finite (but narrow) width < log ({sigma}{sub Te}/K) = 5.5 which, in one detailed case, is found to broaden substantially toward the loop base. AIA and EIS yield similar results on the temperature, emission measure magnitude, and thermal distribution in the fans, though sometimes the AIA data suggest a relatively larger thermal width. The result is that both the Fe VIII 185.213 A and Si VII 275.368 A lines are formed at log(T{sub e} /K){approx} 5.9 in the fans, and the AIA 131 A response also shifts to this temperature.

79 ASTRONOMY AND ASTROPHYSICS↗