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DOE OSTI2016

The entire virial radius of the fossil cluster RXJ 1159 + 5531. II. Dark matter and baryon fraction

In this second paper on the entire virial region of the relaxed fossil cluster RXJ 1159+5531, we present a hydrostatic analysis of the azimuthally averaged hot intracluster medium (ICM) using the results of Su et al. For a model consisting of ICM, stellar mass from the central galaxy (BCG), and an NFW dark matter (DM) halo, we obtain a good description of the projected radial profiles of ICM emissivity and temperature that yield precise constraints on the total mass profile. The BCG stellar mass component is clearly detected with a K-band stellar mass-to-light ratio, M{sub ⋆}/L{sub K}=0.61±0.11 M{sub ⊙}/L{sub ⊙}, consistent with stellar population synthesis models for a Milky Way initial mass function. We obtain a halo concentration, c{sub 200}=8.4±1.0, and virial mass, M{sub 200}=(7.9±0.6)×10{sup 13} M{sub ⊙}. For its mass, the inferred concentration is larger than most relaxed halos produced in cosmological simulations with Planck parameters, consistent with RXJ 1159+5531 forming earlier than the general halo population. The baryon fraction at r {sub 200}, f{sub b,200}=0.134±0.007, is slightly below the Planck value (0.155) for the universe. However, when we take into account the additional stellar baryons associated with non-central galaxies and the uncertain intracluster light (ICL), f{sub b,200} increases by ≈0.015, consistent with the cosmic value and therefore no significant baryon loss from the system. The total mass profile is nearly a power law over a large radial range (∼0.2–10 R {sub e}), where the corresponding density slope α obeys the α−R{sub e} scaling relation for massive early-type galaxies. Performing our analysis in the context of MOND still requires a large DM fraction (85.0%±2.5% at r = 100 kpc) similar to that obtained using the standard Newtonian approach. The detection of a plausible stellar BCG mass component distinct from the NFW DM halo in the total gravitational potential suggests that ∼10{sup 14} M{sub ⊙} represents the mass scale above which dissipation is unimportant in the formation of the central regions of galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1986

Stress analysis of the cracked lap shear specimens: An ASTM round robin

This ASTM Round Robin was conducted to evaluate the state of the art in stress analysis of adhesively bonded joint specimens. Specifically, the participants were asked to calculate the strain-energy-release rate for two different geometry cracked lap shear (CLS) specimens at four different debond lengths. The various analytical techniques consisted of 2- and 3-dimensional finite element analysis, beam theory, plate theory, and a combination of beam theory and finite element analysis. The results were examined in terms of the total strain-energy-release rate and the mode I to mode II ratio as a function of debond length for each specimen geometry. These results basically clustered into two groups: geometric linear or geometric nonlinear analysis. The geometric nonlinear analysis is required to properly analyze the CLS specimens. The 3-D finite element analysis gave indications of edge closure plus some mode III loading. Each participant described his analytical technique and results. Nine laboratories participated.

Johnson, W. S.↗

NASA NTRS1987

Stress analysis of the cracked-lap-shear specimen - An ASTM round-robin

Johnson, W. S.↗

DOE OSTI2017

The Origin of B-type Runaway Stars: Non-LTE Abundances as a Diagnostic

There are two accepted mechanisms to explain the origin of runaway OB-type stars: the binary supernova (SN) scenario and the cluster ejection scenario. In the former, an SN explosion within a close binary ejects the secondary star, while in the latter close multibody interactions in a dense cluster cause one or more of the stars to be ejected from the region at high velocity. Both mechanisms have the potential to affect the surface composition of the runaway star. tlusty non-LTE model atmosphere calculations have been used to determine the atmospheric parameters and the C, N, Mg, and Si abundances for a sample of B-type runaways. These same analytical tools were used by Hunter et al. for their analysis of 50 B-type open-cluster Galactic stars (i.e., nonrunaways). Effective temperatures were deduced using the Si-ionization balance technique, surface gravities from Balmer line profiles, and microturbulent velocities derived using the Si spectrum. The runaways show no obvious abundance anomalies when compared with stars in the open clusters. The runaways do show a spread in composition that almost certainly reflects the Galactic abundance gradient and a range in the birthplaces of the runaways in the Galactic disk. Since the observed Galactic abundance gradients of C, N, Mg, and Si are of a similar magnitude, the abundance ratios (e.g., N/Mg) are as obtained essentially uniform across the sample.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Landrush: Rethinking In-Situ Analysis for GPGPU Workflows

In-situ analysis on the output data of scientific simulations has been made necessary by ever-growing output data volumes and increasing costs of data movement as supercomputing is moving towards exascale. With hardware accelerators like GPUs becoming increasingly common in high end machines, new opportunities arise to co-locate scientific simulations and online analysis performed on the scientific data generated by the simulations. However, the asynchronous nature of GPGPU programming models and the limited context-switching capabilities on the GPU pose challenges to co-locating the scientific simulation and analysis on the same GPU. This paper dives deeper into these challenges to understand how best to co-locate analysis with scientific simulations on the GPUs in HPC clusters. Specifically, our 'Landrush' approach to GPU sharing proposes a solution that utilizes idle cycles on the GPU to provide an improved time-to-answer, that is, the total time to run the scientific simulation and analysis of the generated data. Landrush is demonstrated with experimental results obtained from leadership high-end applications on ORNL's Titan supercomputer, which show that (i) GPU-based scientific simulations have varying degrees of idle cycles to afford useful analysis task co-location, and (ii) the inability to context switch on the GPU at instruction granularity can be overcome by careful control of the analysis kernel launches and software-controlled early completion of analysis kernel executions. Results show that Landrush is superior in terms of time-to-answer compared to serially running simulations followed by analysis or by relying on the GPU driver and hardwired thread dispatcher to run analysis concurrently on a single GPU.

Computer Science↗

DOE OSTI2013

CLASH: COMPLETE LENSING ANALYSIS OF THE LARGEST COSMIC LENS MACS J0717.5+3745 AND SURROUNDING STRUCTURES

The galaxy cluster MACS J0717.5+3745 (z = 0.55) is the largest known cosmic lens, with complex internal structures seen in deep X-ray, Sunyaev-Zel'dovich effect, and dynamical observations. We perform a combined weak- and strong-lensing analysis with wide-field BVR{sub c} i'z' Subaru/Suprime-Cam observations and 16-band Hubble Space Telescope observations taken as part of the Cluster Lensing And Supernova survey with Hubble. We find consistent weak distortion and magnification measurements of background galaxies and combine these signals to construct an optimally estimated radial mass profile of the cluster and its surrounding large-scale structure out to 5 Mpc h {sup –1}. We find consistency between strong-lensing and weak-lensing in the region where these independent data overlap, <500 kpc h {sup –1}. The two-dimensional weak-lensing map reveals a clear filamentary structure traced by distinct mass halos. We model the lensing shear field with nine halos, including the main cluster, corresponding to mass peaks detected above 2.5σ{sub κ}. The total mass of the cluster as determined by the different methods is M{sub vir} ≈ (2.8 ± 0.4) × 10{sup 15} M{sub ☉}. Although this is the most massive cluster known at z > 0.5, in terms of extreme value statistics, we conclude that the mass of MACS J0717.5+3745 by itself is not in serious tension with ΛCDM, representing only a ∼2σ departure above the maximum simulated halo mass at this redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

ON THE ORIGIN OF HIGH-ALTITUDE OPEN CLUSTERS IN THE MILKY WAY

We present a dynamical study of the effect of the bar and spiral arms on the simulated orbits of open clusters in the Galaxy. Specifically, this work is devoted to the puzzling presence of high-altitude open clusters in the Galaxy. For this purpose we employ a very detailed observationally motivated potential model for the Milky Way and a careful set of initial conditions representing the newly born open clusters in the thin disk. We find that the spiral arms are able to raise an important percentage of open clusters (about one-sixth of the total employed in our simulations, depending on the structural parameters of the arms) above the Galactic plane to heights beyond 200 pc, producing a bulge-shaped structure toward the center of the Galaxy. Contrary to what was expected, the spiral arms produce a much greater vertical effect on the clusters than the bar, both in quantity and height; this is due to the sharper concentration of the mass on the spiral arms, when compared to the bar. When a bar and spiral arms are included, spiral arms are still capable of raising an important percentage of the simulated open clusters through chaotic diffusion (as tested from classification analysis of the resultant high-z orbits), but the bar seems to restrain them, diminishing the elevation above the plane by a factor of about two.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

CHEMICAL ANALYSIS OF ASYMPTOTIC GIANT BRANCH STARS IN M62

We have collected UVES-FLAMES high-resolution spectra for a sample of 6 asymptotic giant branch (AGB) and 13 red giant branch (RGB) stars in the Galactic globular cluster (GC) M62 (NGC 6266). Here we present the detailed abundance analysis of iron, titanium, and light elements (O, Na, Mg, and Al). For the majority (five out of six) of the AGB targets, we find that the abundances of both iron and titanium determined from neutral lines are significantly underestimated with respect to those obtained from ionized features, the latter being, instead, in agreement with those measured for the RGB targets. This is similar to recent findings in other clusters and may suggest the presence of nonlocal thermodynamic equilibrium (NLTE) effects. In the O–Na, Al–Mg, and Na–Al planes, the RGB stars show the typical correlations observed for GC stars. Instead, all the AGB targets are clumped in the regions where first-generation stars are expected to lie, similar to what was recently found for the AGB population of NGC 6752. While the sodium and aluminum abundances could be underestimated as a consequence of the NLTE bias affecting iron and titanium, the oxygen line used does not suffer from the same effects, and the lack of O-poor AGB stars therefore is a solid result. We can thus conclude that none of the investigated AGB stars belongs to the second stellar generation of M62. We also find an RGB star with extremely high sodium abundance ([Na/Fe] = +1.08 dex)

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Functional roles of the [2Fe-2S] clusters in Synechocystis PCC 6803 Hox [NiFe]-hydrogenase reactivity with ferredoxins

The HoxEFUYH complex of Synechocystis PCC 6803 (S. 6803) consists of a HoxEFU ferredoxin:NAD(P)H oxidoreductase subcomplex and a HoxYH [NiFe]-hydrogenase subcomplex that catalyzes reversible H2 oxidation. Prior studies have suggested that the presence of HoxE is required for reactivity with ferredoxin; however, it is unknown how HoxE is functionally integrated into the electron transfer network of the HoxEFU:ferredoxin complex. Deciphering electron transfer pathways is challenged by the rich iron-sulfur cluster content of HoxEFU, which includes a [2Fe-2S] cluster in each subunit, along with multiple [4Fe-4S] clusters and a flavin cofactor. To resolve the role of HoxE, we determined the biophysical and thermodynamic properties of each [2Fe-2S] cluster in HoxEFU using steady-state and potentiometric EPR analysis in combination with square wave voltammetry (SWV). The temperature-dependence of the EPR signal for HoxE confirmed the coordination of a single [2Fe-2S] cluster that was shown by SWV to have an E m = -424 mV (versus SHE). Strikingly, when the E m of the HoxE [2Fe-2S] cluster was analyzed in HoxEFU titrations, it was shifted by >100 mV to an E m < -525 mV (versus SHE). EPR titrations of HoxEFU gave an E m value for the [2Fe-2S] cluster of HoxF, E m = -419 mV and HoxU, E m = -349 mV. These values were used to re-analyze the diaphorase kinetics in reactions performed with ferredoxins with varying E m 's. The results are formulated into a model of HoxEFU:ferredoxin reactivity and the role of HoxE in mediating electron transfer within the HoxEFU:ferredoxin complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A fast and sensitive size-exclusion chromatography method for plasma extracellular vesicle proteomic analysis

Extracellular vesicles (EVs) carry diverse biomolecules derived from their parental cells, making their components excellent biomarker candidates. However, purifying EVs is a major hurdle in biomarker discovery since current methods require large amounts of samples, are time-consuming and typically have poor reproducibility. Here we describe a simple, fast, and sensitive EV fractionation method using size exclusion chromatography (SEC) on a fast protein liquid chromatography (FPLC) system. Our method uses a Superose 6 Increase 5/150, which has a bed volume of 2.9 mL. The FPLC system and small column size enable reproducible separation of only 50 µL of human plasma in 15 min. To demonstrate the utility of our method, we used longitudinal samples from a group of individuals who underwent intense exercise. A total of 838 proteins were identified, of which, 261 were previously characterized as EV proteins, including classical markers, such as cluster of differentiation (CD)9 and CD81. Quantitative analysis showed low technical variability with correlation coefficients greater than 0.9 between replicates. The analysis captured differences in relevant EV proteins involved in response to physical activity. Our method enables fast and sensitive fractionation of plasma EVs with low variability, which will facilitate biomarker studies in large clinical cohorts.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Finite element analysis of the PWR control rod absorber thermal evaluation

The RCCAs (Rod Cluster Control Assembly) are part of the reactor control systems and are designed to adjust the reactivity by neutron absorption. In PWR, a RCCA is composed of a spider holding 24 control rods. During operation, the absorber stacks are heated up by neutron and γ-ray radiation. This paper describes the PWR control rod absorber temperature analysis model in details, derives the theoretical equations, and presents a FEA model for control rod absorber thermal evaluation. The FEA model is based on finite element analysis and on 3 major assumptions: 1) steady-state condition, 2) the thermal conductivities of absorber, cladding and gas are assumed to be constant, and 3) thermal expansion and radiation are neglected. The control rod of an AFA 3G fuel assembly in Ningde NPP unit 1 and 2 in steady state on condition I operation was used as a case to qualify the FEA method. A special software named CRABE, designed and qualified by AREVA, was used to do the same analysis for comparison. Several conclusions can be drawn. First, compared with traditional methods, FEA is more convenient with higher accuracy and can greatly simplify the calculation process. In addition, the FEA software is always ease to use, with a friendly interface and a more intuitive display of results. Secondly, the FEA model was qualified though a practical case calculated in different ways. Thirdly, when it comes to a special structure such as an eccentric absorber or an oval cladding, the FEA model has a great applicability, while traditional methods are difficult to use.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Laboratory-based validation of the baseline sensors of the ITER diagnostic residual gas analyzer

The divertor-specific ITER Diagnostic Residual Gas Analyzer (DRGA) will provide essential information relating to DT fusion plasma performance. This includes pulse-resolving measurements of the fuel isotopic mix reaching the pumping ducts, as well as the concentration of the helium generated as the ash of the fusion reaction. In the present baseline design, the cluster of sensors attached to this diagnostic's differentially pumped analysis chamber assembly includes a radiation compatible version of a commercial quadrupole mass spectrometer, as well as an optical gas analyzer using a plasma-based light excitation source. This paper reports on a laboratory study intended to validate the performance of this sensor cluster, with emphasis on the detection limit of the isotopic measurement. This validation study was carried out in a laboratory set-up that closely prototyped the analysis chamber assembly configuration of the baseline design. This includes an ITER-specific placement of the optical gas measurement downstream from the first turbine of the chamber's turbo-molecular pump to provide sufficient light emission while preserving the gas dynamics conditions that allow for \textasciitilde 1 s response time from the sensor cluster [1].

Biewer, Theodore↗

DOE OSTI2025

Resolving local structural motifs across the phase evolution of zinc titanates with computational x-ray absorption spectroscopy

Resolving the local structure motifs that characterize phase evolution as a function of composition is a key challenge in structure characterization of complex materials. Here, in this study, we combine first-principles simulations and x-ray absorption near-edge structures (XANES) analysis to gain insights into the structure evolution revealed by measurements across a combinatorial zinc titanate thin film, which was grown with smoothly varying composition over a wide range of the Ti:Zn ratio. Specifically, we propose a cluster blind-signal-separation (cBSS) method for XANES spectral analysis based on a library of the structures and spectra of representative local motifs. In addition to motifs from zinc titanate crystals, two types of Ti-defect models constructed in this study are key to the understanding of the structure characteristics in the Zn-rich region. The cBSS method makes use of both spectral clustering of the simulated site-XANES spectra library and the BSS procedure to construct high-fidelity spectral basis functions from an experimental spectral sequence. The method provides a rigorous measure of the spectral sensitivity and basis completeness. The results of the XANES analysis are corroborated with other experimental modalities, including x-ray diffraction and spectroscopic ellipsometry, to validate the cBSS method. The calculated motif weights resulting from fitting the XANES spectra with the cBSS basis probe the atomic structure characteristics of both crystalline and amorphous phases as a function of the Ti/Zn composition. The insights of the local structure motif evolution are pivotal to the understanding of the nonmonotonic trend in the optical gap, which may lead to potential applications through tuning the optical properties of zinc titanate. The workflow of the XANES spectral analysis developed in this work can be generalized to construct the structure-property relationship in a broad material space.

36 MATERIALS SCIENCE↗

DOE OSTI2018

The geography of solar energy in the United States: Market definition, industry structure, and choice in solar PV adoption

The solar photovoltaic (PV) installation industry comprises thousands of firms around the world who collectively installed nearly 200 million panels in 2015. Spatial analysis of the emerging industry has received considerable attention from the literature, especially on the demand side concerning peer effects and adopter clustering. However this research area does not include similarly sophisticated spatial analysis on the supply side of the installation industry. The lack of understanding of the spatial structure of the PV installation industry leaves PV market research to rely on jurisdictional lines, such as counties, to define geographic PV markets. We develop an approach that uses the spatial distribution of installers' activity to define geographic boundaries for PV markets. Our method is useful for PV market research and applicable in the contexts of other industries. We use our approach to demonstrate that the PV industry in the United States is spatially heterogeneous. Despite the emergence of some national-scale PV installers, installers are largely local and installer communities are unique from one region to the next. The social implications of the spatial heterogeneity of the emerging PV industry involve improving understanding of issues such as market power, industry consolidation, and how much choice potential adopters have.

14 SOLAR ENERGY↗

DOE OSTI2016

Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene

New photoelectron spectra (PES) and ultra violet (UV) and vacuum UV (VUV) absorption spectra of fluorobenzene recorded at higher resolution than previously, have been combined with mass-resolved (2 + 1) and (3 + 1) resonance enhanced multiphoton ionization (REMPI) spectra; this has led to the identification of numerous Rydberg states. The PES have been compared with earlier mass-analyzed threshold ionization and photoinduced Rydberg ionization (PIRI) spectra to give an overall picture of the ionic state sequence. The analysis of these spectra using both equations of motion with coupled cluster singles and doubles (EOM-CCSD) configuration interaction and time dependent density functional theory (TDDFT) calculations have been combined with vibrational analysis of both the hot and cold bands of the spectra, in considerable detail. The results extend several earlier studies on the vibronic coupling leading to conical intersections between the X{sup 2}B{sub 1} and A{sup 2}A{sub 2} states, and a further trio (B, C, and D) of states. The conical intersection of the X and A states has been explicitly identified, and its structure and energetics evaluated. The energy sequence of the last group is only acceptable to the present study if given as B{sup 2}B{sub 2}<C{sup 2}B{sub 1}<D{sup 2}A{sub 1}, a conclusion which is in agreement with most previous EOM-CCSD and other calculations. However, this symmetry ordering of the B and C states forces reconsideration of the nature of the PIRI spectrum. The coupling between these two states is induced by the a{sub 2} modes, ν{sub 12} and ν{sub 14} and we propose that the 14{sup 1} band is observed in the B{sup 2}B{sub 2} band in the PES for the first time, because of the improved resolution. This same assignment is given to the lowest energy band in the PIRI spectrum which was previously assigned as the origin band and further conclude that the entire PIRI spectrum is induced by ν{sub 12} and ν{sub 14}. The relative intensities of the various Rydberg state peaks in the VUV absorption and REMPI spectra of fluorobenzene are very similar to those observed in the equivalent spectra of benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1976

Stratification of Landsat data by clustering

Full realization of the potential advantages of the synoptic coverage provided by Landsat will require the development and use of data analysis techniques which take into account the large variation and diversity of patterns found over many Landsat scenes. Stratification of the scene into units which are internally homogeneous is recommended as a first step in the analysis of data for whole or multiple frames of Landsat data. The use of clustering as an objective and efficient method of dividing scenes into areas which are spectrally similar (strata) is discussed and initial results, including classification performances and comparisons of spectral strata with major physical factors, are presented.

Bauer, M. E.↗

NASA NTRS2018

Data Mining for Vortices on the Earth's Magnetosphere - Algorithm Application for Detection and Analysis

Unsteady processes in the solar wind– magnetosphere interaction, such as vortices developed at the magnetopause boundary by the Kelvin–Helmholtz instability, may contribute to the process of mass, momentum and energy transfer into the Earth’s magnetosphere. The research described in this paper validates an algorithm to automatically detect and characterize vortices based on velocity data from simulations. The vortex identification algorithm (VIA) systematically searches the 3-D velocity fields to identify critical points where the magnitude of the velocity vector vanishes. The velocity gradient tensor is computed and its invariants are used to assess vortex structure in the flow field. We use the Community Coordinated Modeling Center (CCMC) Runs on Request capability to create a series of model runs initialized from the conditions observed by the Cluster mission in the Hwang et al. (2011) analysis of Kelvin–Helmholtz vortices observed during southward interplanetary magnetic field (IMF) conditions. We analyze further the properties of the vortices found in the runs, including the velocity changes within their motion across the magnetosheath. We also demonstrate the potential of our tool to identify and characterize other transient features (e.g., flux transfer events, FTEs) with vortical internal structures. We find that the vortices are associated with flows on the magnetosheath side of the magnetopause that reach speeds greater than the solar wind speed at the bow shock.

Collado-Vega, Yaireska M.↗

DOE OSTI2017

The Pan-STARRS1 Medium-deep Survey: Star Formation Quenching in Group and Cluster Environments

We make use of a catalog of 1600 Pan-STARRS1 groups produced by the probability friends-of-friends algorithm to explore how the galaxy properties, i.e., the specific star formation rate (SSFR) and quiescent fraction, depend on stellar mass and group-centric radius. The work is the extension of Lin et al. In this work, powered by a stacking technique plus a background subtraction for contamination removal, a finer correction and more precise results are obtained than in our previous work. We find that while the quiescent fraction increases with decreasing group-centric radius, the median SSFRs of star-forming galaxies in groups at fixed stellar mass drop slightly from the field toward the group center. This suggests that the main quenching process in groups is likely a fast mechanism. On the other hand, a reduction in SSFRs by ∼0.2 dex is seen inside clusters as opposed to the field galaxies. If the reduction is attributed to the slow quenching effect, the slow quenching process acts dominantly in clusters. In addition, we also examine the density–color relation, where the density is defined by using a sixth-nearest-neighbor approach. Comparing the quiescent fractions contributed from the density and radial effect, we find that the density effect dominates the massive group or cluster galaxies, and the radial effect becomes more effective in less massive galaxies. The results support mergers and/or starvation as the main quenching mechanisms in the group environment, while harassment and/or starvation dominate in clusters.

79 ASTRONOMY AND ASTROPHYSICS↗