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Globular cluster photometry with the Hubble Space Telescope. 3: Blue stragglers and variable stars in the core of M3

This paper describes Hubble Space Telescope (HST)/Planetary Camera-I images of the core of the dense globular cluster M3 (NGC 5272). Stellar photometry in the F555W (V) and F785LP (I) bands, with a 1-sigma photometric accuracy of about 0.1 mag, has been used to construct color-magnitude diagrams of about 4700 stars above the main-sequence turnoff within r less than or approximately equal to 1 min of the cluster center. We have also analyzed archival HST F336W (U) images of M3 obtained by the Wide Field/Planetary Camera-I Instrument Definition Team. The UVI data are used to identify 28 blue straggler (BS) stars within the central 0.29 sq. arcmin. The specific frequency of BSs in this region of M3, N(sub BS)/N(sub V less than (V(HB)+2)) = 0.094 +/- 0.019, is about a factor of 2 - 3 higher than that found by Bolte et al. in a recent ground-based study of the same region, but comparable to that seen in the sparse outer parts of the same cluster and in HST observations of the core of the higher density cluster 47 Tuc. The BSs in M3 are slightly more centrally concentrated than red giant branch stars while horizontal branch stars are somewhat less concentrated red giants. The radial distribution of V-selected subgiant and turnoff stars is well fit by a King model with a core radius r(sub core) = 28 arcmin +/- 2 arcmin (90% confidence limits), which corresponds to 1.4 pc. Red giant and horizontal branch stars selected in the ultraviolet data (U less than 18) have a somewhat more compact distribution (r(sub core) = 22.5 arcmin). The HST U data consist of 17 exposures acquired over a span of three days. We have used these data to isolate 40 variable stars for which relative astrometry, brightnesses, colors, and light curves are presented. A Kolmogorov-Smirnov test indicates that, typically, the variability for each star is significant at the 95% level. We identify two variable BS candidates (probably of the SX Phe type), out of a sample of approximately 25 BSs in which variability could have been detected. Most of the variables are RR Lyrae stars on the horizontal branch. All of them have periods P greater than or approximately equal 8 h.

Guhathakurta, Puragra↗

Aerosol Seasonal Variations over Urban-Industrial Regions in Ukraine According to AERONET and POLDER Measurements

The paper presents an investigation of aerosol seasonal variations in several urban-industrial regions in Ukraine. Our analysis of seasonal variations of optical and physical aerosol parameters is based on the sun-photometer 2008-2013 data from two urban ground-based AERONET (AErosol RObotic NETwork) sites in Ukraine (Kyiv, Lugansk) as well as on satellite POLDER instrument data for urban-industrial areas in Ukraine. We also analyzed the data from one AERONET site in Belarus (Minsk) in order to compare with the Ukrainian sites. Aerosol amount and optical depth (AOD) values in the atmosphere columns over the large urbanized areas like Kyiv and Minsk have maximum values in the spring (April-May) and late summer (August), whereas minimum values are observed in late autumn. The results show that fine-mode particles are most frequently detected during the spring and late summer seasons. The analysis of the seasonal AOD variations over the urban-industrial areas in the eastern and central parts of Ukraine according to both ground-based and POLDER data exhibits the similar traits. The seasonal variation similarity in the regions denotes the resemblance in basic aerosol sources that are closely related to properties of aerosol particles. The behavior of basic aerosol parameters in the western part of Ukraine is different from eastern and central regions and shows an earlier appearance of the spring and summer AOD maxima. Spectral single-scattering albedo, complex refractive index and size distribution of aerosol particles in the atmosphere column over Kyiv have different behavior for warm (April-October) and cold seasons. The seasonal features of fine and coarse aerosol particle behavior over the Kyiv site were analyzed. A prevailing influence of the fine-mode particles on the optical properties of the aerosol layer over the region has been established. The back-trajectory and cluster analysis techniques were applied to study the seasonal back trajectories and prevailing directions of the arrived air mass for the Kyiv and Minsk sites.

Ukraine↗

Single-Cell Genomics of Novel Actinobacteria With the Wood–Ljungdahl Pathway Discovered in a Serpentinizing System

Serpentinite-hosted systems represent modern-day analogs of early Earth environments. In these systems, water-rock interactions generate highly alkaline and reducing fluids that can contain hydrogen, methane, and low-molecular-weight hydrocarbons-potent reductants capable of fueling microbial metabolism. In this study, we investigated the microbiota of Hakuba Happo hot springs (~50°C; pH~10.5–11), located in Nagano (Japan), which are impacted by the serpentinization process. Analysis of the 16S rRNA gene amplicon sequences revealed that the bacterial community comprises Nitrospirae (47%), “Parcubacteria” (19%), Deinococcus-Thermus (16%), and Actinobacteria (9%), among others. Notably, only 57 amplicon sequence variants (ASV) were detected, and fifteen of these accounted for 90% of the amplicons. Among the abundant ASVs, an early-branching, uncultivated actinobacterial clade identified as RBG-16-55-12 in the SILVA database was detected. Ten single-cell genomes (average pairwise nucleotide identity: 0.98–1.00; estimated completeness: 33–93%; estimated genome size: ~2.3 Mb) that affiliated with this clade were obtained. Taxonomic classification using single copy genes indicates that the genomes belong to the actinobacterial class-level clade UBA1414 in the Genome Taxonomy Database. Based on metabolic pathway predictions, these actinobacteria are anaerobes, capable of glycolysis, dissimilatory nitrate reduction and CO 2 fixation via the Wood–Ljungdahl (WL) pathway. Several other genomes within UBA1414 and two related class-level clades also encode the WL pathway, which has not yet been reported for the Actinobacteria phylum. For the Hakuba actinobacterium, the energy metabolism related to the WL pathway is likely supported by a combination of the Rnf complex, group 3b and 3d [NiFe]-hydrogenases, [FeFe]-hydrogenases, and V-type (H + /Na + pump) ATPase. The genomes also harbor a form IV ribulose 1,5-bisphosphate carboxylase/oxygenase (RubisCO) complex, also known as a RubisCO-like protein, and contain signatures of interactions with viruses, including clustered regularly interspaced short palindromic repeat (CRISPR) regions and several phage integrases. This is the first report and detailed genome analysis of a bacterium within the Actinobacteria phylum capable of utilizing the WL pathway. The Hakuba actinobacterium is a member of the clade UBA1414/RBG-16-55-12, formerly within the group “OPB41.” We propose to name this bacterium ‘Candidatus Hakubanella thermoalkaliphilus.'

59 BASIC BIOLOGICAL SCIENCES↗

Multivariate statistical analysis software technologies for astrophysical research involving large data bases

We developed a package to process and analyze the data from the digital version of the Second Palomar Sky Survey. This system, called SKICAT, incorporates the latest in machine learning and expert systems software technology, in order to classify the detected objects objectively and uniformly, and facilitate handling of the enormous data sets from digital sky surveys and other sources. The system provides a powerful, integrated environment for the manipulation and scientific investigation of catalogs from virtually any source. It serves three principal functions: image catalog construction, catalog management, and catalog analysis. Through use of the GID3* Decision Tree artificial induction software, SKICAT automates the process of classifying objects within CCD and digitized plate images. To exploit these catalogs, the system also provides tools to merge them into a large, complete database which may be easily queried and modified when new data or better methods of calibrating or classifying become available. The most innovative feature of SKICAT is the facility it provides to experiment with and apply the latest in machine learning technology to the tasks of catalog construction and analysis. SKICAT provides a unique environment for implementing these tools for any number of future scientific purposes. Initial scientific verification and performance tests have been made using galaxy counts and measurements of galaxy clustering from small subsets of the survey data, and a search for very high redshift quasars. All of the tests were successful, and produced new and interesting scientific results. Attachments to this report give detailed accounts of the technical aspects for multivariate statistical analysis of small and moderate-size data sets, called STATPROG. The package was tested extensively on a number of real scientific applications, and has produced real, published results.

Djorgovski, S. George↗

Multivariate Statistical Analysis Software Technologies for Astrophysical Research Involving Large Data Bases

We developed a package to process and analyze the data from the digital version of the Second Palomar Sky Survey. This system, called SKICAT, incorporates the latest in machine learning and expert systems software technology, in order to classify the detected objects objectively and uniformly, and facilitate handling of the enormous data sets from digital sky surveys and other sources. The system provides a powerful, integrated environment for the manipulation and scientific investigation of catalogs from virtually any source. It serves three principal functions: image catalog construction, catalog management, and catalog analysis. Through use of the GID3* Decision Tree artificial induction software, SKICAT automates the process of classifying objects within CCD and digitized plate images. To exploit these catalogs, the system also provides tools to merge them into a large, complex database which may be easily queried and modified when new data or better methods of calibrating or classifying become available. The most innovative feature of SKICAT is the facility it provides to experiment with and apply the latest in machine learning technology to the tasks of catalog construction and analysis. SKICAT provides a unique environment for implementing these tools for any number of future scientific purposes. Initial scientific verification and performance tests have been made using galaxy counts and measurements of galaxy clustering from small subsets of the survey data, and a search for very high redshift quasars. All of the tests were successful and produced new and interesting scientific results. Attachments to this report give detailed accounts of the technical aspects of the SKICAT system, and of some of the scientific results achieved to date. We also developed a user-friendly package for multivariate statistical analysis of small and moderate-size data sets, called STATPROG. The package was tested extensively on a number of real scientific applications and has produced real, published results.

Djorgovski, S. G.↗

The Next Generation X-Ray Galaxy Survey with eROSITA

eROSITA, launched on 13 July 2019, will be completing the first all-sky survey in the soft and medium X-ray band in nearly three decades. This 4-year survey, finishing in late 2023, will present a rich legacy for the entire astrophysics community and complement upcoming multi-wavelength surveys (with, e.g. the Large Synoptic Survey Telescope and the Dark Energy Survey). Besides the major scientific aim to study active galactic nuclei (AGN) and galaxy clusters, eROSITA will contribute significantly to X-ray studies of normal (i.e. not AGN) galaxies. Starting from multi-wavelength catalogues, we measure star formation rates and stellar masses for 60 212 galaxies constrained to distances of 50–200 Mpc. We chose this distance range to focus on the relatively unexplored volume outside the local Universe, where galaxies will be largely spatially unresolved and probe a range of X-ray luminosities that overlap with the low luminosity and/or highly obscured AGN population. We use the most recent X-ray scaling relations as well as the on-orbit eROSITA instrument performance to predict the X-ray emission from XRBs and diffuse hot gas and to perform both an analytic prediction and an end-to-end simulation using the mission simulation software, SIXTE. We consider potential contributions from hidden AGN and comment on the impact of normal galaxies on the measurement of the faint end of the AGN luminosity function. We predict that the eROSITA 4-year survey, will detect ≳15 000 galaxies (3σ significance) at 50–200 Mpc, which is ~ 100× more normal galaxies than detected in any X-ray survey to date.

Surveys↗

X-Ray Transmission Microscope Development

We have succeeded in meeting the goals set out in the proposal. A cadre of detector technologies is available to suit the requirements of the experiment. Resolutions of both real-time and absolute limits to resolution exceed the initial aspirations. Obtaining sufficient contrast is still a significant limitation but can be overcome by Judicious selection of the specimen composition. This can only take time and trial and error for a successful result. The 4th generation furnace provides the capability of real-time in-situ observations of composite alloy development. A low detection sensitivity however, has still made it difficult to observe dendritic growth, although it has been 'seen' in raw video; it was not a recordable signal. We have examined flight ampoules with XTM to observe particle and thermocouple placement, crucible flaws and cracks in collaboration with the Particle Pushing and Engulfment flight experiment (Dr. Stefanescu, UA, P.I.). The value of an in flight XTM to guard against experiment failure and safety assurance is obvious. Although not attributable to equipment limitations, a quest to observe particle pushing was not successful. We tried at length to prepare specimens that would demonstrate particle pushing. Instead, we were successful in imaging the interface deformation due to the thermal field distortion of a ceramic particle or void and to compare to calculated shapes. In theory, we should have been able to make major inroads to this field if the particles could be pushed and the velocities adjusted to make critical measurements. On the other hand, critical issues of sample preparation for the PEP flight experiment were established, particularly the clustering of particles and trapped voids. In this regard, the XTM did prove very useful so that flight specimens would work as expected and to perform post flight analysis. Although not a clear result, particle pushing of precipitates was observed in an Al-Si-Mn alloy. It may be that to be pushed, the particles need to be small and have clean surfaces like one might obtain from in-situ precipitation. The ability to image features in real time skill enable more fundamental and detailed understanding of solidification dynamics in microgravity than had previously been possible, thus, allowing the full benefits of microgravity experiments be applied towards rigorous testing of critical solidification models. The XTM is also a valuable tool for post solidification metallography. The 3-dimensional distribution of solute and solidification features within the specimen volume can be viewed without sectioning or other treatment when the solute has sufficiently higher atomic mass than the solvent. Thus the XTM could provide the first practical method for on orbit microstructural (metallographic) analysis by the astronauts or by telescience.

Kaukler, William F.↗

DEMNUni: the imprint of massive neutrinos on the cross-correlation between cosmic voids and CMB lensing

Cosmic voids are a powerful probe of cosmology and are one of the core observables of upcoming galaxy surveys. The cross-correlations between voids and other large-scale structure tracers such as galaxy clustering and galaxy lensing have been shown to be very sensitive probes of cosmology and among the most promising to probe the nature of gravity and the neutrino mass. However, recent measurements of the void imprint on the lensed Cosmic Microwave Background (CMB) have been shown to be in tension with expectations based on LCDM simulations, hinting to a possibility of non-standard cosmological signatures due to massive neutrinos. In this work we use the DEMNUni cosmological simulations with massive neutrino cosmologies to study the neutrino impact on voids selected in photometric surveys, as well as on the void-CMB lensing cross-correlation. We show how the void properties observed in this way (size function, profiles) are affected by the presence of massive neutrinos compared to the neutrino massless case, and show how these can vary as a function of the selection method of the void sample. Further, we comment on the possibility for massive neutrinos to be the source of the aforementioned tension. Finally, we identify the most promising setup to detect signatures of massive neutrinos in the voids-CMB lensing cross-correlation and define a new quantity useful to distinguish among different neutrino masses by comparing future observations against predictions from simulations including massive neutrinos.

79 ASTRONOMY AND ASTROPHYSICS↗

Regional Characteristics of Observable Foreshocks

Abstract Measures of foreshock occurrence are systematically examined using earthquake catalogs for eight regions (Italy, southern California, northern California, Costa Rica, Onshore Japan, Alaska, Turkey, and Greece) after imposing a magnitude ≥3.0 completeness level. Foreshocks are identified using three approaches: a magnitude-dependent space + fixed-time windowing method, a nearest-neighbor clustering method, and a modified magnitude-dependent space + variable-time windowing method. The method with fixed-time windows systematically yields higher counts of foreshocks than the other two clustering methods. We find similar counts of foreshocks across the three methods when the magnitude aperture is equalized by including only earthquakes in the magnitude range M*−2≤ M< M*, in which M* is the mainshock magnitude. For most of the catalogs (excluding Italy and southern California), the measured b-values of the foreshocks of all region-specific mainshocks are lower by 0.1–0.2 than b-values of respective aftershocks. Allowing for variable-time windows results in relatively high probabilities of having at least one foreshock in Italy (∼43%–56%), compared to other regional catalogs. Foreshock probabilities decrease to 14%–41% for regions such as Turkey, Greece, and Costa Rica. Similar trends are found when requiring at least five foreshocks in a sequence to be considered. Estimates of foreshock probabilities for each mainshock are method dependent; however, consistent regional trends exist regardless of method, with regions such as Italy and southern California producing more observable foreshocks than Turkey and Greece. Some regions with relatively high background seismicity have comparatively low probabilities of detectable foreshock activity when using methods that account for variable background, possibly due to depletion of near-failure fault conditions by background activity.

Geochemistry & Geophysics↗

An Improved Boosting to Amplify Signal with Isobaric Labeling (iBASIL) Strategy for Precise Quantitative Single-cell Proteomics

Mass spectrometry (MS)-based proteomics has great potential for overcoming the limitations of antibody-based immunoassays for antibody-independent, comprehensive, and quantitative proteomic analysis of single cells. Indeed, recent advances in nanoscale sample preparation have enabled effective processing of single cells. In particular, the concept of using boosting/carrier channels in isobaric labeling to increase the sensitivity in MS detection has also been increasingly used for quantitative proteomic analysis of small-sized samples including single cells. However, the full potential of such boosting/carrier approaches has not been significantly explored, nor has the resulting quantitation quality been carefully evaluated. Herein, we have further evaluated and optimized our recent boosting to amplify signal with isobaric labeling (BASIL) approach, originally developed for quantifying phosphorylation in small number of cells, for highly effective analysis of proteins in single cells. This improved BASIL (iBASIL) approach enables reliable quantitative single-cell proteomics analysis with greater proteome coverage by carefully controlling the boosting-to-sample ratio (e.g. in general <100×) and optimizing MS automatic gain control (AGC) and ion injection time settings in MS/MS analysis (e.g. 5E5 and 300 ms, respectively, which is significantly higher than that used in typical bulk analysis). By coupling with a nanodroplet-based single cell preparation (nanoPOTS) platform, iBASIL enabled identification of ~2500 proteins and precise quantification of ~1500 proteins in the analysis of 104 FACS-isolated single cells, with the resulting protein profiles robustly clustering the cells from three different acute myeloid leukemia cell lines. This study highlights the importance of carefully evaluating and optimizing the boosting ratios and MS data acquisition conditions for achieving robust, comprehensive proteomic analysis of single cells.

59 BASIC BIOLOGICAL SCIENCES↗

The Petrography of Meteoritic Nano-Diamonds

At least some meteoritic nanodiamonds are likely of presolar origin because of their association with anomalous Xe-HL and Te isotopic components indicative of a supernova (SN) origin. But the abundance of Xe is such that only approx. 1 in 10(exp 6) nano-diamonds contains a Xe atom, and the bulk C-13/C-12 composition of nano-diamond acid residues is chondritic (solar). Therefore, it is possible that a significant fraction of meteoritic nano-diamonds formed within the solar nebula. Nano-diamonds have recently been detected for the first time within the accretion discs of young stars by the Infrared Space Observatory (ISO). No comparable evidence of nanodiamonds in the interstellar medium has yet been found. We have identified nano-diamonds in acid etched thin-sections of meteorites, polar micrometeorites, and interplanetary dust particles (IDPs) with the goal of determining their distribution as a function of heliocentric distance. (It is assumed the meteorites and the polar micrometeorites are from asteroids at 2-4 AU and at least some of the IDPs are from comets at >50AU). We found that nano-diamonds are heterogeneously distributed throughout carbon-rich meteoritic materials (we identified them in some IDPs and not in others), and that their abundance may actually decrease with heliocentric distance, consistent with the hypothesis that some of them formed within the inner solar system and not in a presolar (SN) environment. In order to gain further insight about the origins of meteoritic nano-diamonds we are currently investigating their distribution in unetched thin-sections. We have examined a chondritic cluster IDP (U220GCA), fragments of the Tagish Lake (CM1) meteorite, and a SN graphite spherule (KE3d8) isolated from the Murchison (CM) meteorite. We selected U220GCA because its nano-diamond abundance (in acid etched thin-sections) appears to be as much as approx. 10X higher than in Murchison matrix, Tagish Lake because it has a higher reported nano-diamond abundance than other carbonaceous chondrites (approx. 3650-4330 ppm), and KE3d8 because it is a carbon spherule with an isotopic composition suggesting that it is a bone fide presolar SN grain.

Dai, Z. R.↗

The Cosmic-Ray and Gas Content of the Cygnus Region as Measured in Gamma Rays by the Fermi Large Area Telescope

Context. The Cygnus region hosts a giant molecular-cloud complex which actively forms massive stars. Interactions of cosmic rays with interstellar gas and radiation fields make it shine at y-ray energies. Several gamma-ray pulsars and other energetic sources are seen in this direction. Aims. In this paper we analyse the gamma-ray emission measured by the Fermi Large Area Telescope in the energy range from 100 Me V to 100 Ge V in order to probe the gas and cosmic-ray content over the scale of the whole Cygnus complex. The gamma-ray emission on the scale of the central massive stellar clusters and from individual sources is addressed elsewhere. Methods. The signal from bright pulsars is largely reduced by selecting photons in their off-pulse phase intervals. We compare the diffuse gamma-ray emission with interstellar gas maps derived from radio/mm-wave lines and visual extinction data. and a global model of the region, including other pulsars and gamma-ray sources, is sought. Results. The integral H I emissivity above 100 MeV averaged over the whole Cygnus complex amounts to 12.06 +/- 0.11 (stat.) (+0.15 -0.84) (syst.J] x 10(exp -26) photons /s / sr / H-atom, where the systematic error is dominated by the uncertainty on the H I opacity to calculate its column densities. The integral emissivity and its spectral energy distribution are both consistent within the systematics with LAT measurements in the interstellar space near the solar system. The average X(sub co) N(H2)/W(sub co) ratio is found to be [1.68 +/- 0.05 (stat.) (H I opacity)] x 1020 molecules cm-2 (K km/s /r, consistent with other LAT measurements in the Local Arm. We detect significant gamma-ray emission from dark neutral gas for a mass corresponding to approx 40% of that traced by CO. The total interstellar mass in the Cygnus complex inferred from its gamma-ray emission amounts to 8(+5 -1) x 10(exp 6) Solar M at a distance of 1.4 kpc. Conclusions. Despite the conspicuous star formation activity and large masses of the interstellar clouds, the cosmic-ray population in the Cygnus complex averaged over a few hundred parsecs is similar to that of the local interstellar space.

Ackermann, M.↗

Neutrinos in N -body simulations

In the next decade, cosmological surveys will have the statistical power to detect the absolute neutrino mass scale. N-body simulations of large-scale structure formation play a central role in interpreting data from such surveys. Yet these simulations are Newtonian in nature. We provide a quantitative study of the limitations to treating neutrinos, implemented as N-body particles, in N-body codes, focusing on the error introduced by neglecting special relativistic effects. Special relativistic effects are potentially important due to the large thermal velocities of neutrino particles in the simulation box. We derive a self-consistent theory of linear perturbations in Newtonian and nonrelativistic neutrinos and use this to demonstrate that N-body simulations overestimate the neutrino free-streaming scale, and cause errors in the matter power spectrum that depend on the initial redshift of the simulations. For z i ≲ 100, and neutrino masses within the currently allowed range, this error is ≲ 0.5%, though represents an up to ~10 % correction to the shape of the neutrino-induced suppression to the cold dark matter power spectrum. Here, we argue that the simulations accurately model nonlinear clustering of neutrinos so that the error is confined to linear scales.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exploring Connectivity in Sequence Space of Functional RNA

Emergence of replicable genetic molecules was one of the marking points in the origin of life, evolution of which can be conceptualized as a walk through the space of all possible sequences. A theoretical concept of fitness landscape helps to understand evolutionary processes through assigning a value of fitness to each genotype. Then, evolution of a phenotype is viewed as a series of consecutive, single-point mutations. Natural selection biases evolution toward peaks of high fitness and away from valleys of low fitness. whereas neutral drift occurs in the sequence space without direction as mutations are introduced at random. Large networks of neutral or near-neutral mutations on a fitness landscape, especially for sufficiently long genomes, are possible or even inevitable. Their detection in experiments, however, has been elusive. Although a few near-neutral evolutionary pathways have been found, recent experimental evidence indicates landscapes consist of largely isolated islands. The generality of these results, however, is not clear, as the genome length or the fraction of functional molecules in the genotypic space might have been insufficient for the emergence of large, neutral networks. Thorough investigation on the structure of the fitness landscape is essential to understand the mechanisms of evolution of early genomes. RNA molecules are commonly assumed to play the pivotal role in the origin of genetic systems. They are widely believed to be early, if not the earliest, genetic and catalytic molecules, with abundant biochemical activities as aptamers and ribozymes, i.e. RNA molecules capable, respectively, to bind small molecules or catalyze chemical reactions. Here, we present results of our recent studies on the structure of the sequence space of RNA ligase ribozymes selected through in vitro evolution. Several hundred thousands of sequences active to a different degree were obtained by way of deep sequencing. Analysis of these sequences revealed several large clusters defined such that every sequence in a cluster can be reached from any other sequence in the same cluster through a series of single point mutations. Sequences in a single cluster appear to adopt more than one secondary structure. The mechanism of refolding within a single cluster was examined. To shed light on possible evolutionary paths in the space of ribozymes, the connectivity between clusters was investigated. The effect of length of RNA molecules on the structure of the fitness landscape and possible evolutionary paths was examined by way of comparing functional sequences of 20 and 80 nucleobases in length. It was found that sequences of different lengths shared secondary structure motifs that were presumed responsible for catalytic activity, with increasing complexity and global structural rearrangements emerging in longer molecules.

Wei, Chenyu↗

The Anharmonic Force Field of Ethylene, C2H4, by Means of Accurate Ab Initio Calculations

The quartic force field of ethylene, C2H4, has been calculated ab initio using augmented coupled cluster, CCSD(T), methods and correlation consistent basis sets of spdf quality. For the C-12 isotopomers C2H4, C2H3D, H2CCD2, cis-C2H2D2, trans-C2H2D2, C2HD3, and C2D4, all fundamentals could be reproduced to better than 10 per centimeter, except for three cases of severe Fermi type 1 resonance. The problem with these three bands is identified as a systematic overestimate of the Kiij Fermi resonance constants by a factor of two or more; if this is corrected for, the predicted fundamentals come into excellent agreement with experiment. No such systematic overestimate is seen for Fermi type 2 resonances. Our computed harmonic frequencies suggest a thorough revision of the accepted experimentally derived values. Our computed and empirically corrected re geometry differs substantially from experimentally derived values: both the predicted rz geometry and the ground-state rotational constants are, however, in excellent agreement with experiment, suggesting revision of the older values. Anharmonicity constants agree well with experiment for stretches, but differ substantially for stretch-bend interaction constants, due to equality constraints in the experimental analysis that do not hold. Improved criteria for detecting Fermi and Coriolis resonances are proposed and found to work well, contrary to the established method based on harmonic frequency differences that fails to detect several important resonances for C2H4 and its isotopomers. Surprisingly good results are obtained with a small spd basis at the CCSD(T) level. The well-documented strong basis set effect on the v8 out-of-plane motion is present to a much lesser extent when correlation-optimized polarization functions are used. Complete sets of anharmonic, rovibrational coupling, and centrifugal distortion constants for the isotopomers are available as supplementary material to the paper.

Martin, Jan M. L.↗

Measuring the Radius of a Neutron Star; Origin of High X-Ray Luminosities in Optically Passive Galaxies; Resolving the Source of X-Rays in IC 1613"

This recently expired grant has supported the work of the PI, his students, and his collaborators on a variety of ROSAT projects over the past three years. Annual reports have summarized much of the work accomplished; here we provide a brief review of the work resulting from this effort, and a summary of the personnel who have benefited from its support. A high resolution ROSAT HRI X-ray image of the Local Group dwarf IC1613 revealed that the principal source of X-ray emission in this direction arises in a background cluster of galaxies, as first suggested by Eskridge (1995). In addition, however, we found a bright X-ray source coincident with the only known supernova remnant in this galaxy, S # 8. Extensive ground-based follow-up observations in the radio and optical regimes were conducted. We confirmed the nonthermal radio spectral index of the source and measured its extent to be approx. 3 sec at 20 cm. Imaging spectrophotometric observations taken with the multi-pupil spectrograph of the Special Astrophysical Observatory in the FSU allowed us to determine the density and velocity distribution of the gas in the remnant. The simultaneous presence of luminous X-ray and optical emission suggests a relatively young remnant in which the outward-moving shock has recently encountered dense material. Many of this object's properties are similar to those of the brightest optical remnant in the Large Magellanic Cloud, N49. Another potential source of X-rays in this galaxy which featured prominently in our original proposal, an Oxygen Wolf-Rayet star with a large surrounding wind-blown bubble, was not detected.

Helfand, David J.↗

Virtualization - A Key Cost Saver in NASA Multi-Mission Ground System Architecture

With science team budgets being slashed, and a lack of adequate facilities for science payload teams to operate their instruments, there is a strong need for innovative new ground systems that are able to provide necessary levels of capability processing power, system availability and redundancy while maintaining a small footprint in terms of physical space, power utilization and cooling.The ground system architecture being presented is based off of heritage from several other projects currently in development or operations at Goddard, but was designed and built specifically to meet the needs of the Science and Planetary Operations Control Center (SPOCC) as a low-cost payload command, control, planning and analysis operations center. However, this SPOCC architecture was designed to be generic enough to be re-used partially or in whole by other labs and missions (since its inception that has already happened in several cases!)The SPOCC architecture leverages a highly available VMware-based virtualization cluster with shared SAS Direct-Attached Storage (DAS) to provide an extremely high-performing, low-power-utilization and small-footprint compute environment that provides Virtual Machine resources shared among the various tenant missions in the SPOCC. The storage is also expandable, allowing future missions to chain up to 7 additional 2U chassis of storage at an extremely competitive cost if they require additional archive or virtual machine storage space.The software architecture provides a fully-redundant GMSEC-based message bus architecture based on the ActiveMQ middleware to track all health and safety status within the SPOCC ground system. All virtual machines utilize the GMSEC system agents to report system host health over the GMSEC bus, and spacecraft payload health is monitored using the Hammers Integrated Test and Operations System (ITOS) Galaxy Telemetry and Command (TC) system, which performs near-real-time limit checking and data processing on the downlinked data stream and injects messages into the GMSEC bus that are monitored to automatically page the on-call operator or Systems Administrator (SA) when an off-nominal condition is detected. This architecture, like the LTSP thin clients, are shared across all tenant missions.Other required IT security controls are implemented at the ground system level, including physical access controls, logical system-level authentication authorization management, auditing and reporting, network management and a NIST 800-53 FISMA-Moderate IT Security plan Risk Assessment Contingency Plan, helping multiple missions share the cost of compliance with agency-mandated directives.The SPOCC architecture provides science payload control centers and backup mission operations centers with a cost-effective, standardized approach to virtualizing and monitoring resources that were traditionally multiple racks full of physical machines. The increased agility in deploying new virtual systems and thin client workstations can provide significant savings in personnel costs for maintaining the ground system. The cost savings in procurement, power, rack footprint and cooling as well as the shared multi-mission design greatly reduces upfront cost for missions moving into the facility. Overall, the authors hope that this architecture will become a model for how future NASA operations centers are constructed!

Ground System Architecture↗

The Hard X-ray 20-40 keV AGN Luminosity Function

We have compiled a complete, significance limited extragalactic sample based on approximately 25,000 deg(sup 2) to a limiting flux of 3 x 10(exp -11) ergs per square centimeter per second. (approximately 7,000 deg(sup 2)) to a flux limit of 10(exp -11) ergs per square centimeter per second)) in the 20 - 40 keV band with INTEGRAL. We have constructed a detailed exposure map to compensate for effects of non-uniform exposure. The flux-number relation is best described by a power-law with a slope of alpha = 1.66 plus or minus 0.11. The integration of the cumulative flux per unit area leads to f(sub 20-40 keV) = 2.6 x 10(exp -10) ergs per square centimeter per second per sr(sup -1) which is about 1% of the known 20-40 keV X-ray background. We present the first luminosity function of AGN in the 20-40 keV energy range, based on 68 extragalactic objects detected by the imager IBIS/ISGRI on-board INTEGRAL. The luminosity function shows a smoothly connected two power-law form, with an index of gamma (sub 1) = 0.9 below, and gamma (sub 2) = 2.2 above the turn-over luminosity of L(sub *), = 4.6 x 10(sup 43) ergs per second. The emissivity of all INTEGRAL AGNs per unit volume is W(sub 20-40keV)(greater than 10(sup 41) ergs per second) = 2.8 x 10(sup 38) ergs per second h(sup 3)(sub 70) Mpc(sup -3). These results are consistent with those derived in the 2-20keV energy band and do not show a significant contribution by Compton-thick objects. Because the sample used in this study is truly local (z(raised bar) = 0.022)), only limited conclusions can be drawn for the evolution of AGNs in this energy band. But the objects explaining the peak in the cosmic X-ray background are likely to be either low luminosity AGN (L(sub x) less than 10(sup 41) ergs per second) or of other type, such as intermediate mass black holes, clusters, and star forming regions.

Beckmann, V.↗