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All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Quantitative characterization of spatial distribution of particles in materials: Application to materials processing

Most engineering materials contain second phase particles or fibers which serve to reinforce the matrix phase. The effect of reinforcements on material properties is usually analyzed in terms of the average volume fraction and spacing of reinforcements, quantities which are global microstructural characteristics. However, material properties can also depend on local microstructural characteristics; for example, on how uniformly the reinforcing phase is distributed in the material. The analysis method will then be applied to a materials processing problem to discover how processing parameters can be selected to maximize redistribution of the reinforcing phase during processing. Several mathematical analysis methods could be adapted to the problem of characterizing the distribution of particles in materials. A tessellation-based method was selected. In the first phase of the investigation, a software package was written to automate the analysis. Typical results are shown. The analysis technique allows the degree to which particles are clustered together, the size and spacing of particle clusters, and the particle density in clusters to be found. The analysis methods were applied to computer-generated distributions and to a few real particle-containing materials. Methods for analyzing a nonuniform particle distribution in a material can be applied to two broad classes of materials science problems: understanding how the resulting particle distribution affects properties. The analysis method described is applied to a materials processing problem: how to select extrusion conditions to maximize the redistribution of reinforcing particles that are initially nonuniformly distributed. In addition, the tessellation-based method to analyze star distributions in spiral galaxies was adapted, illustrating the diverse types of problems to which the analysis method can be applied.

Parse, J. B.↗
DOE OSTI2026

Lyman-$α$ forest holography: 3D predictions from 1D measurements

Cosmological analyses of Lyman-$α$ forest clustering rely on either one-dimensional correlations along individual sightlines or three-dimensional correlations between different sightlines. Because these observables probe the matter distribution on very different scales, they have traditionally been analyzed independently. In this work, we bridge this gap using ForestFlow, an emulator trained on a suite of cosmological hydrodynamical simulations that provides a unified description of Lyman-$α$ forest clustering from linear to nonlinear scales. This framework enables us to determine the range of three-dimensional clustering models compatible with the DESI one-dimensional flux power spectrum ($P_{\rm 1D}$). The resulting predictions successfully reproduce the large-scale clustering measured by the DESI BAO analysis and provide physically motivated priors on nonlinear clustering that are used in a companion paper presenting the full-shape analysis of the DESI DR2 Lyman-$α$ forest. We validate our methodology using the large-volume, high-resolution hydrodynamical simulation ACCEL-2, demonstrating excellent agreement across the full range of scales considered. Finally, we combine constraints from the $P_{\rm 1D}$ and BAO analyses on the parameter combinations $b_δσ_8$ and $b_ηf σ_8$, finding that the two probes provide comparable constraining power while exhibiting complementary parameter degeneracies. Our results establish a direct connection between one- and three-dimensional Lyman-$α$ forest measurements through ForestFlow, an approach we term Lyman-$α$ holography by analogy with the reconstruction of higher-dimensional structure from lower-dimensional information.

Chaves-Montero, J. [Barcelona, IFAE] (ORCID:000000↗
DOE OSTI2022

A computational study of Al n - and Al n -1 1Pt - clusters: the effects of doping and a uniform tuning gauge for single-atom nanocatalysts

Results of density functional theory calculations on Al n - and Al n -1 1Pt - , n = 2-8, clusters are presented and analyzed. The analysis includes different structural forms of the clusters characterized in terms of binding energy, spin and symmetry, and a comparative evaluation of various properties of the two systems viewed as connected through a single-Pt substitutional doping and examined in terms of their respective most stable structures. Furthermore, the Al n -1 1Pt - clusters are then used as a paradigmatic (model) case of single-atom nanocatalysts, with Pt as the catalytic center and Al n-1 as its support, to implement a uniform descriptor for gauging the tuning effects of all the parameters ( "knobs ") of a nanocatalyst that include the identity of the active center and the material and size of its support.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Spectroscopic Confirmation of Five Galaxy Clusters at z > 1.25 in the 2500 deg 2 SPT-SZ Survey

In this paper, we present spectroscopic confirmation of five galaxy clusters at 1.25 < z < 1.5, discovered in the 2500 deg 2 South Pole Telescope Sunyaev–Zel’dovich (SZ) survey. These clusters, taken from a mass-limited sample with a nearly redshift-independent selection function, have multiwavelength follow-up imaging data from the X-ray to near-IR and currently form the most homogeneous massive high-redshift cluster sample known. We identify 44 member galaxies, along with 25 field galaxies, among the five clusters, and describe the full set of observations and data products from Magellan/LDSS3 multiobject spectroscopy of these cluster fields. We briefly describe the analysis pipeline and present ensemble analyses of cluster member galaxies that demonstrate the reliability of the measured redshifts. We report z = 1.259, 1.288, 1.316, 1.401, and 1.474 for the five clusters from a combination of absorption-line (Ca ii H&K doublet—λλ3968, 3934) and emission-line ([O ii] λλ3727, 3729) spectral features. Moreover, the calculated velocity dispersions yield dynamical cluster masses in good agreement with the SZ masses for these clusters. We discuss the velocity and spatial distributions of passive and [O ii]-emitting galaxies in these clusters, showing that they are consistent with velocity segregation and biases observed in lower redshift South Pole Telescope clusters. We identify modest [O ii] emission and pronounced CN and Hδ absorption in a stacked spectrum of 28 passive galaxies with Ca ii H&K-derived redshifts. Lastly, this work increases the number of spectroscopically confirmed SZ-selected galaxy clusters at z > 1.25 from three to eight, further demonstrating the efficacy of SZ selection for the highest redshift massive clusters and enabling detailed study of these systems.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

Monte Carlo Shower Counter Studies

Activities and accomplishments related to the Monte Carlo shower counter studies are summarized. A tape of the VMS version of the GEANT software was obtained and installed on the central computer at Gallaudet University. Due to difficulties encountered in updating this VMS version, a decision was made to switch to the UNIX version of the package. This version was installed and used to generate the set of data files currently accessed by various analysis programs. The GEANT software was used to write files of data for positron and proton showers. Showers were simulated for a detector consisting of 50 alternating layers of lead and scintillator. Each file consisted of 1000 events at each of the following energies: 0.1, 0.5, 2.0, 10, 44, and 200 GeV. Data analysis activities related to clustering, chi square, and likelihood analyses are summarized. Source code for the GEANT user subprograms and data analysis programs are provided along with example data plots.

Snyder, H. David↗
DOE OSTI2016

Galaxies in X-Ray Selected Clusters and Groups in Dark Energy Survey Data. I. Stellar Mass Growth of Bright Central Galaxies Since z ~ 1.2

Using the science verification data of the Dark Energy Survey for a new sample of 106 X-ray selected clusters and groups, we study the stellar mass growth of bright central galaxies (BCGs) since redshift z ~ 1.2. Compared with the expectation in a semi-analytical model applied to the Millennium Simulation, the observed BCGs become under-massive/under-luminous with decreasing redshift. Here, we incorporate the uncertainties associated with cluster mass, redshift, and BCG stellar mass measurements into an analysis of a redshift-dependent BCG-cluster mass relation, $m_*$ $∝ \huge{(}$$\frac{M_{200}}{1.5x10^{14}M_⊙}\huge{)}$$^{0.24±0.08}$ $(1 + z)$$^{-0.19±0.34}$, and compare the observed relation to the model prediction. We estimate the average growth rate since z = 1.0 for BCGs hosted by clusters of M 200,z = 10 13.8 M ⊙ ; at z = 1.0: m * , BCG appears to have grown by 0.13 ± 0.11 dex, in tension at the ~2.5σ significance level with the 0.40 dex growth rate expected from the semi-analytic model. We show that the build-up of extended intracluster light after z = 1.0 may alleviate this tension in BCG growth rates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

WIYN OPEN CLUSTER STUDY. LVII. OXYGEN ABUNDANCES OF SOLAR-TYPE DWARFS IN THE HYADES AND NGC 752

Oxygen has been proposed to be a superior tracer, compared to iron, for studying galactic chemical evolution. In the context of improving our understanding of the evolution of Galactic oxygen using open clusters, we present a spectroscopic analysis of oxygen and iron abundances in the 650 Myr old Hyades cluster and in the 1.45 Gyr old cluster NGC 752, using high-dispersion 7774 Å O I triplet region spectra of dwarfs in these clusters acquired with the Hydra MOS on the WIYN 3.5 m telescope. Motivated by recent improvements in analysis of the triplet, we use a strictly differential analysis in solar-type stars to obtain reliable O abundances. Using stars whose radial velocities and spectral cross-correlation analyses are consistent with single-star membership, we report Hyades cluster averages of [O/H] = 0.195 ± 0.010 and [Fe/H] = 0.130 ± 0.009 based on 22 stars, and NGC 752 cluster averages of [O/H] = –0.077 ± 0.02 and [Fe/H] = –0.063 ± 0.013 based on 36 stars (where the errors are σ{sub μ}; we discuss possible additional systematic errors). These cluster abundance averages are in very good agreement with most previous determinations. Whereas the [O/H] cluster averages utilize only stars found in the ''prime'' T {sub eff} range straddling the solar T {sub eff}, the [Fe/H] cluster averages come from stars exhibiting a flat [Fe/H]-T {sub eff} relation of over 1000 K for the Hyades and nearly 2000 K for NGC 752. Previous studies of open clusters younger than NGC 752 have reported oxygen triplet over abundances in cool dwarfs, as compared to oxygen abundances of the prime-T {sub eff} range. We report that NGC 752 also shows such overabundances, at a higher level than the Hyades overabundances, and thus contradicts the idea of a decline of such overabundances with increasing age. We discuss evidence for and against correlations of the oxygen overabundances with rotation, X-ray luminosity, chromospheric activity, and metallicity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Clusters of Monoisotopic Elements for Calibration in (TOF) Mass Spectrometry

Precise calibration in TOF MS requires suitable and reliable standards, which are not always available for high masses. We evaluated inorganic clusters of the monoisotopic elements gold and phosphorus (Au{sub n}{sup +}/Au{sub n}{sup -} and P{sub n}{sup +}/P{sub n}{sup -}) as an alternative to peptides or proteins for the external and internal calibration of mass spectra in various experimental and instrumental scenarios. Monoisotopic gold or phosphorus clusters can be easily generated in situ from suitable precursors by laser desorption/ionization (LDI) or matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). Their use offers numerous advantages, including simplicity of preparation, biological inertness, and exact mass determination even at lower mass resolution. We used citrate-stabilized gold nanoparticles to generate gold calibration clusters, and red phosphorus powder to generate phosphorus clusters. Both elements can be added to samples to perform internal calibration up to mass-to-charge (m/z) 10–15,000 without significantly interfering with the analyte. We demonstrated the use of the gold and phosphorous clusters in the MS analysis of complex biological samples, including microbial standards and total extracts of mouse embryonic fibroblasts. We believe that clusters of monoisotopic elements could be used as generally applicable calibrants for complex biological samples. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Phylum-wide comparative genomics unravel the diversity of secondary metabolism in Cyanobacteria

Cyanobacteria are an ancient lineage of photosynthetic bacteria from which hundreds of natural products have been described, including many notorious toxins but also potent natural products of interest to the pharmaceutical and biotechnological industries. Many of these compounds are the products of non-ribosomal peptide synthetase (NRPS) or polyketide synthase (PKS) pathways. However, current understanding of the diversification of these pathways is largely based on the chemical structure of the bioactive compounds, while the evolutionary forces driving their remarkable chemical diversity are poorly understood. We carried out a phylum-wide investigation of genetic diversification of the cyanobacterial NRPS and PKS pathways for the production of bioactive compounds. 452 NRPS and PKS gene clusters were identified from 89 cyanobacterial genomes, revealing a clear burst in late-branching lineages. Our genomic analysis further grouped the clusters into 286 highly diversified cluster families (CF) of pathways. Some CFs appeared vertically inherited, while others presented a more complex evolutionary history. Only a few horizontal gene transfers were evidenced amongst strongly conserved CFs in the phylum, while several others have undergone drastic gene shuffling events, which could result in the observed diversification of the pathways. In addition to toxin production, several NRPS and PKS gene clusters are devoted to important cellular processes of these bacteria such as nitrogen fixation and iron uptake. The majority of the biosynthetic clusters identified here have unknown end products, highlighting the power of genome mining for the discovery of new natural products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Pore-scale supercritical CO 2 dissolution and mass transfer under drainage conditions

Abstract: Recently, both core- and pore-scale imbibition experiments have shown non-equilibrium dissolution of supercritical CO 2 (scCO 2 ) and a prolonged depletion of residual scCO 2 . In this study, pore-scale scCO 2 dissolution and mass transfer under drainage conditions were investigated using a two-dimensional heterogeneous micromodel and a novel fluorescent water dye with a sensitive pH range between 3.7 and 6.5. Drainage experiments were conducted at 9 MPa and 40 °C by injecting scCO 2 into the sandstone-analogue pore network initially saturated by water without dissolved CO 2 (dsCO 2 ). During the experiments, time-lapse images of dye intensity, reflecting water pH, were obtained. These images show non-uniform pH in individual pores and pore clusters, with average pH levels gradually decreasing with time. Further analysis on selected pores and pore clusters shows that (1) rate-limited mass transfer prevails with slowly decreasing pH over time when the scCO 2 -water interface area is low with respect to the volume of water-filled pores and pore clusters, (2) fast scCO 2 dissolution and phase equilibrium occurs when scCO 2 bubbles invade into water-filled pores, significantly enhancing the area-to-volume ratio, and (3) a transition from rate-limited to diffusion-limited mass transfer occurs in a single pore when a medium area-to-volume ratio is prevalent. The analysis also shows that two fundamental processes – scCO 2 dissolution at phase interfaces and diffusion of dsCO 2 at the pore scale (10-100 µm) observed after scCO 2 bubble invasion into water-filled pores without pore throat constraints – are relatively fast. The overall slow dissolution of scCO 2 in the millimeter-scale micromodel can be attributed to the small area-to-volume ratios that represent pore-throat configurations and characteristics of phase interfaces. This finding is applicable for the behavior of dissolution at pore, core, and field scales when water-filled pores and pore clusters of varying size are surrounded by scCO 2 at narrow pore throats.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

Utility of correlation techniques in gravity and magnetic interpretation

Two methods of quantitative combined analysis, internal correspondence and clustering, are presented. Model studies are used to illustrate implementation and interpretation procedures of these methods, particularly internal correspondence. Analysis of the results of applying these methods to data from the midcontinent and a transcontinental profile show they can be useful in identifying crustal provinces, providing information on horizontal and vertical variations of physical properties over province size zones, validating long wave-length anomalies, and isolating geomagnetic field removal problems. Thus, these techniques are useful in considering regional data acquired by satellites.

Chandler, V. W.↗
DOE OSTI2017

Red Supergiants as Cosmic Abundance Probes: Massive Star Clusters in M83 and the Mass–Metallicity Relation of Nearby Galaxies

We present an abundance analysis of seven super star clusters in the disk of M83. The near-infrared spectra of these clusters are dominated by red supergiants, and the spectral similarity in the J-band of such stars at uniform metallicity means that the integrated light from the clusters may be analyzed using the same tools as those applied to single stars. Using data from VLT/KMOS, we estimate metallicities for each cluster in the sample. We find that the abundance gradient in the inner regions of M83 is flat, with a central metallicity of [Z]=0.21±0.11 relative to a solar value of Z {sub ⊙} = 0.014, which is in excellent agreement with the results from an analysis of luminous hot stars in the same regions. Compiling this latest study with our other recent work, we construct a mass–metallicity relation for nearby galaxies based entirely on the analysis of RSGs. We find excellent agreement with the other stellar-based technique—that of blue supergiants—as well as with temperature-sensitive (“auroral” or “direct”) H ii-region studies. Of all the H ii-region strong-line calibrations, those that are empirically calibrated to direct-method studies (N2 and O3N2) provide the most consistent results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Disruption-Robust Community Detection Using Consensus Clustering in Complex Networks

Topological (graph-theoretic) analysis of critical infrastructure networks provides insight on several aspects of resilience. Graph clustering or community detection, which identifies densely connected components in a graph, has been employed for analysis. In this paper, we propose employing consensus clustering, which is a technique to determine consensus from a collection of different clusters on an input, such that the resulting clustering is robust to disruptions, where a disruption is represented as loss of one or more vertices or edges in the graph. Using two critical infrastructure networks as case studies, we empirically demonstrate the need to compute consensus clustering in order to address the drastic changes in the topology due to disruptions in the network.

Hussain, Md Taufique↗
NASA NTRS1973

Thermal-bremsstrahlung interpretation of cluster X-ray sources.

Analysis of the X-ray data for the extended sources in Coma, Perseus, and Virgo in terms of an isothermal gas-sphere model emitting thermal-bremsstrahlung radiation. It is found that the gas distribution is somewhat less centrally condensed than the galaxies, and that the gas mass is generally a small fraction of the binding mass of each cluster. In the case of the Coma cluster, approximately one-eighth of the binding mass (with an uncertainty of about 50%) may be in the form of hot gas at 100,000,000 K if H sub zero = 50 km/sec/Mpc.

Lea, S. M.↗
DOE OSTI2022

Cosmological implications of the full shape of anisotropic clustering measurements in BOSS and eBOSS

We present the analysis of the full shape of anisotropic clustering measurement from the extended Baryon Oscillation Spectroscopic Survey (eBOSS) quasar sample together with the combined galaxy sample from the Baryon Oscillation Spectroscopic Survey (BOSS), re-analysed using an updated recipe for the non-linear matter power spectrum and the non-local bias parameters. We obtain constraints for flat Lambda cold dark matter cosmologies, focusing on the cosmological parameters that are independent of the Hubble parameter h. Our recovered value for the Root Mean Square (RMS) linear perturbation theory variance as measured on the scale of 12 Mpc is σ 12 = 0.805 ± 0.049, while using the traditional reference scale of 8 h –1 Mpc gives σ 8 = 0.815 ± 0.044. We quantify the agreement between our measurements and the latest cosmic microwave background data from Planck using the suspiciousness metric, and find them to be consistent within 0.64 ± 0.03σ. Combining our clustering constraints with the 3 × 2pt data sample from the Dark Energy Survey Year 1 release slightly degrades this agreement to the level of 1.54 ± 0.08σ, while still showing an overall consistency with Planck. We furthermore study the effect of imposing a Planck – like prior on the parameters that define the shape of the linear matter power spectrum, and find significantly tighter constraints on the parameters that control the evolution of density fluctuations. In particular, the combination of low-redshift data sets prefers a value of the physical dark energy density ω DE = 0.335 ± 0.011, which is 1.7σ higher than the one preferred by Planck.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

VST ATLAS galaxy cluster catalogue I: cluster detection and mass calibration

Taking advantage of ∼4700 deg 2 optical coverage of the Southern sky offered by the VST ATLAS survey, we construct a new catalogue of photometrically selected galaxy groups and clusters using the orca cluster detection algorithm. The catalogue contains ∼22 000 detections with N 200 > 10 and ∼9000 with N 200 > 20. We estimate the photometric redshifts of the clusters using machine learning and find the redshift distribution of the sample to extend to z ∼ 0.7, peaking at z ∼ 0.25. We calibrate the ATLAS cluster mass-richness scaling relation using masses from the MCXC, Planck, ACT DR5, and SDSS redMaPPer cluster samples. We estimate the ATLAS sample to be > 95 per cent complete and > 85 per cent pure at z < 0.35 and in the M 200m >1 x 10 14 h -1 M ⊙ mass range. At z < 0.35, we also find the ATLAS sample to be more complete than redMaPPer, recovering a ~ 40 per cent higher fraction of Abell clusters. This higher sample completeness places the amplitude of the z < 0.35 ATLAS cluster mass function closer to the predictions of a ΛCDM model with parameters based on the Planck CMB analyses, compared to the mass functions of the other cluster samples. However, strong tensions between the observed ATLAS mass functions and models remain. We shall present a detailed cosmological analysis of the ATLAS cluster mass functions in paper II. In the future, optical counterparts to X-ray-detected eROSITA clusters can be identified using the ATLAS sample. The catalogue is also well suited for auxiliary spectroscopic target selection in 4MOST. The ATLAS cluster catalogue is publicly available at http://astro.dur.ac.uk/cosmology/vstatlas/cluster_catalogue/.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Measuring the Scatter of the Mass–Richness Relation in Galaxy Clusters in Photometric Imaging Surveys by Means of Their Correlation Function

The knowledge of the scatter in the mass-observable relation is a key ingredient for a cosmological analysis based on galaxy clusters in a photometric survey. We demonstrate here how the linear bias measured in the correlation function for clusters can be used to determine the value of the scatter. The new method is tested in simulations of a 5.000 square degrees optical survey up to z~1, similar to the ongoing Dark Energy Survey. The results indicate that the scatter can be measured with a precision of 5% using this technique.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

Vegetation spatial variability and its effect on vegetation indices

Landsat MSS data were used to simulate low resolution satellite data, such as NOAA AVHRR, to quantify the fractional vegetation cover within a pixel and relate the fractional cover to the normalized difference vegetation index (NDVI) and the simple ratio (SR). The MSS data were converted to radiances from which the NDVI and SR values for the simulated pixels were determined. Each simulated pixel was divided into clusters using an unsupervised classification program. Spatial and spectral analysis provided a means of combining clusters representing similar surface characteristics into vegetated and non-vegetated areas. Analysis showed an average error of 12.7 per cent in determining these areas. NDVI values less than 0.3 represented fractional vegetated areas of 5 per cent or less, while a value of 0.7 or higher represented fractional vegetated areas greater than 80 per cent. Regression analysis showed a strong linear relation between fractional vegetation area and the NDVI and SR values; correlation values were 0.89 and 0.95 respectively. The range of NDVI values calculated from the MSS data agrees well with field studies.

Ormsby, J. P.↗