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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Activity of Cu-Al-oxo extra-framework clusters for selective methane oxidation on Cu exchanged zeolites

Cu-zeolites are able to directly convert methane to methanol via a 3-step process using O2 as oxidant. Among the different zeolite topologies, Cu-exchanged mordenite (MOR) shows the highest methanol yields, attributed to a preferential formation of active Cu-oxo species in its 8-MR pores. The presence of extra-framework or partially detached Al species entrained in the micropores of MOR leads to the formation of nearly homotopic redox active Cu-Al-oxo nanoclusters with the ability to activate CH4. Studies of the activity of these sites together with characterization by 27Al NMR and IR spectroscopy leads to the conclusion that the active species are located in the 8-MR side pockets of MOR and it consists of two Cu ions and one Al linked by O. This Cu-Al oxo cluster shows an activity per Cu in methane oxidation significantly higher than of any previ-ously reported active Cu-oxo species. In order to determine unambiguously the structure of the active Cu-Al-oxo cluster, we combine experimental XANES of Cu K- and L- edges, Cu K-edge HERFD-XANES and Cu K-edge EXAFS with TDDFT and AIMD-assisted simulations. Our results provide evidence of a [Cu2AlO3]2+ cluster exchanged on MOR Al pairs that is able to oxidize up to two methane molecules per cluster at ambient pressure.

Methane oxidation, Cu L3-edge XANES, HERFD, TDDFT,↗
DOE OSTI2026

BiG-SCAPE 2.0 and BiG-SLiCE 2.0: scalable, accurate and interactive sequence clustering of metabolic gene clusters

Microbial metabolic gene clusters encode the biosynthesis or catabolism of metabolites that facilitate ecological specialization, mediate microbiome interactions and constitute a major source of medicines and crop protection agents. Here, we present BiG-SCAPE and BiG-SLiCE 2.0, next-generation methods that facilitate scalable, accurate and interactive gene cluster analyses. BiG-SCAPE 2.0 updates its classification, alignment methods, and visualizations, enabling more accurate analysis, up to 8x faster runtimes and halved memory requirements. BiG-SLiCE 2.0 updates its distance metric, pHMM database, and classification logic, resulting in increased sensitivity nearing that of BiG-SCAPE. Analysis of 260,630 biosynthetic gene clusters from publicly available genomes reveals that both tools generate concurring estimates of gene cluster diversity, thus providing significantly extended methodological support for recent evidence indicating that the vast majority of natural product diversity remains unexplored. Together, these updates will facilitate global genome mining efforts for natural product discovery and microbiome analyses scalable with current data sizes.

Draisma, Arjan [Wageningen University & Research (↗
DOE OSTI2025

Recent advances in coupled cluster computations of open-shell atomic nuclei

In this contribution, we report on recent progress in coupled-cluster simulations of open-shell atomic nuclei using interactions consistently derived from chiral effective field theory. In particular, we compare different coupled-cluster approaches by computing binding energies and electric dipole polarizabilities in medium-mass calcium isotopes.

Marino, Francesco [Johannes Gutenberg Univ., Mainz↗
DOE OSTI2020

A Clustering-Based Scenario Generation Framework for Power Market Simulation with Wind Integration

A critical step in stochastic optimization models of power system analysis is to select a set of appropriate scenarios and significant numbers of scenario generation methods exist in the literature. This paper develops a clustering based scenario generation method, which aims to improve the performance of existing scenario generation techniques by grouping a set of correlated wind sites into clusters according to their cross-correlations. Copula based models are utilized to model spatiotemporal correlations and the Gibbs sampling is then used to generate scenarios for day-ahead markets. Our results show that the generated scenarios based on clustered wind sites outperform existing approaches in terms of reliability and sharpness and can reduce the total computational time for scenario generation and reduction significantly. The clustering-based framework can therefore provide a better support for real-world market simulations with high wind penetration.

data visualization↗
DOE OSTI2022

Machine-learning identification of the variability of mean velocity and turbulence intensity for wakes generated by onshore wind turbines: Cluster analysis of wind LiDAR measurements

Light detection and ranging (LiDAR) measurements of isolated wakes generated by wind turbines installed at an onshore wind farm are leveraged to characterize the variability of the wake mean velocity and turbulence intensity during typical operations, which encompass a breadth of atmospheric stability regimes and rotor thrust coefficients. The LiDAR measurements are clustered through the k-means algorithm, which enables identifying the most representative realizations of wind turbine wakes while avoiding the imposition of thresholds for the various wind and turbine parameters. Considering the large number of LiDAR samples collected to probe the wake velocity field, the dimensionality of the experimental dataset is reduced by projecting the LiDAR data on an intelligently truncated basis obtained with the proper orthogonal decomposition (POD). The coefficients of only five physics-informed POD modes are then injected in the k-means algorithm for clustering the LiDAR dataset. The analysis of the clustered LiDAR data and the associated supervisory control and data acquisition and meteorological data enables the study of the variability of the wake velocity deficit, wake extent, and wake-added turbulence intensity for different thrust coefficients of the turbine rotor and regimes of atmospheric stability. Furthermore, the cluster analysis of the LiDAR data allows for the identification of systematic off-design operations with a certain yaw misalignment of the turbine rotor with the mean wind direction.

17 WIND ENERGY↗
DOE OSTI2020

FPDeep: Scalable Acceleration of CNN Training on Deeply-Pipelined FPGA Clusters

In this paper, we propose a framework called FPDeep, which uses a hybrid of model and layer paral- lelism to configure distributed reconfigurable clusters to train DNNs. This approach has numerous benefits. First, the design does not suffer from batch size growth. Second, novel workload and weight partitioning leads to balanced loads of both among nodes. And third, the entire system is fine-grained pipeline. This leads to high parallelism and utilization and also minimizes the time features need to be cached while waiting for back-propagation.

Wang, Tianqi↗
DOE OSTI2024

PANDORA: A Parallel Dendrogram Construction Algorithm for Single Linkage Clustering on GPU

This paper introduces Pandora, a parallel algorithm for computing dendrograms, the hierarchical cluster trees for single linkage clustering (SLC). Current parallel approaches construct dendrograms by partitioning a minimum spanning tree and removing edges. However, they struggle with skewed, hard-to-parallelize real-world dendrograms. Consequently, computing dendrograms is the sequential bottleneck in HDBSCAN*[21], a popular SLC variant. Pandora uses recursive tree contraction to address this limitation. Pandora contracts nodes to construct progressively smaller trees. It computes the smallest contracted dendrogram and expands it by inserting contracted edges. This recursive strategy is highly parallel, skew-independent, work-optimal, and well-suited for GPUs and multicores. We develop a performance portable implementation of Pandora in Kokkos[31] and evaluate its performance on multicore CPUs and multi-vendor GPUs (e.g., Nvidia, AMD) for dendrogram construction in HDBSCAN*. Multithreaded Pandora is 2.2x faster than the current best-multithreaded implementation. Our GPU version achieves 6-20x speedup on AMD GPUs and 10-37x on NVIDIA GPUs over multithreaded Pandora. Pandora removes HDBSCAN*’s sequential bottleneck, greatly boosting efficiency, particularly with GPUs.

Sao, Piyush↗
DOE OSTI2024

Joint analyses of lensing, clustering, and galaxy clusters with DES and LSST (Early Career Award DE-SC0020247 Final Report)

Final technical report for Early Career Award DE-SC0020247 "Joint analyses of lensing, clustering, and galaxy clusters with DES and LSST". This report summarizes contributions to Dark Energy Survey analyses of weak lensing, clustering, and galaxy clusters, and contributions to the development of LSST-DESC cosmology analysis pipelines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

The Open Cluster Chemical Abundances and Mapping Survey. IV. Abundances for 128 Open Clusters Using SDSS/APOGEE DR16

The Open Cluster Chemical Abundances and Mapping (OCCAM) survey aims to constrain key Galactic dynamical and chemical evolution parameters by the construction of a large, comprehensive, uniform, infrared-based spectroscopic data set of hundreds of open clusters. This fourth contribution from the OCCAM survey presents analysis using Sloan Digital Sky Survey/APOGEE DR16 of a sample of 128 open clusters, 71 of which we designate to be “high quality” based on the appearance of their color–magnitude diagram. We find the APOGEE DR16 derived [Fe/H] abundances to be in good agreement with previous high-resolution spectroscopic open cluster abundance studies. Using the high-quality sample, we measure Galactic abundance gradients in 16 elements, and find evolution of some of the [X/Fe] gradients as a function of age. We find an overall Galactic [Fe/H] versus R {sub GC} gradient of −0.068 ± 0.001 dex kpc{sup −1} over the range of 6 < R {sub GC} < 13.9 kpc; however, we note that this result is sensitive to the distance catalog used, varying as much as 15%. We formally derive the location of a break in the [Fe/H] abundance gradient as a free parameter in the gradient fit for the first time. We also measure significant Galactic gradients in O, Mg, S, Ca, Mn, Cr, Cu, Na, Al, and K, some of which are measured for the first time. Our large sample allows us to examine four well-populated age bins in order to explore the time evolution of gradients for a large number of elements and comment on possible implications for Galactic chemical evolution and radial migration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Sejong Open Cluster Survey (SOS). VII. A Photometric Study of the Young Open Cluster IC 1590

Young open clusters are ideal laboratories to understand the star formation process. We present deep UBVI and Hα photometry for the young open cluster IC 1590 in the center of the H ii region NGC 281. Early-type members are selected from UBV photometric diagrams, and low-mass pre-main-sequence (PMS) members are identified by using Hα photometry. In addition, the published X-ray source list and Gaia astrometric data are also used to isolate probable members. A total of 408 stars are selected as members. The mean reddening obtained from early-type members is &lang;E(B – V)&rang; = 0.40 ± 0.06 (s.d.). We confirm the abnormal extinction law for the intracluster medium. The distance modulus to the cluster determined from the zero-age main-sequence fitting method is 12.3 ± 0.2 mag (d = 2.88 ± 0.28 kpc), which is consistent with the distance d=2.70{sub -0.20}{sup +0.24} kpc from the recent Gaia parallaxes. We also estimate the ages and masses of individual members by means of stellar evolutionary models. The mode of the age of PMS stars is about 0.8 Myr. The initial mass function of IC 1590 is derived. It appears to be a steeper shape (Γ = -1.49 ± 0.14) than that of the Salpeter/Kroupa initial mass function for the high-mass regime (m > 1 M {sub ⊙}). The signature of mass segregation is detected from the difference in the slopes of the initial mass functions for the inner ([[Formula]]) and outer regions of this cluster. We finally discuss the star formation history in NGC 281.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

The Thermal and Kinematic Sunyaev–Zeldovich Effect in Galaxy Clusters and Filaments Using Multifrequency Temperature Maps of the Cosmic Microwave Background: A399–A401 Cluster Pair Case Study

We present a multifrequency and multi-instrument methodology to study the physical properties of galaxy clusters and cosmic filaments using cosmic microwave background observations. Our approach enables simultaneous measurement of both the thermal (tSZ) and kinematic Sunyaev–Zeldovich (kSZ) effects, incorporates relativistic corrections, and models astrophysical foregrounds such as thermal dust emission. We do this by jointly fitting a single physical model across multiple maps from multiple instruments at different frequencies, rather than fitting a model to a single Compton-y map. We demonstrate the success of this method by fitting the A399–A401 galaxy cluster pair and filament system using archival data from the Planck satellite and new, targeted deep data from the Atacama Cosmology Telescope, covering 11 different frequencies over 14 maps from 30 GHz to 545 GHz. Our tSZ results are consistent with previous work using Compton-y maps. We measure the line-of-sight peculiar velocities of the cluster–filament system using the kSZ effect and find statistical uncertainties on individual cluster peculiar velocities of ≲600 km s −1 , which are competitive with current state-of-the-art measurements. Additionally, we measure the optical depth of the filament component with a signal-to-noise of 8.5σ and reveal hints of its morphology. This modular approach is well-suited for application to future instruments across a wide range of millimeter and submillimeter wavebands.

Gill, Ajay S. [National Research Council of Canada↗
NASA NTRS1980

The photometric properties of brightest cluster galaxies. I - Absolute magnitudes in 116 nearby Abell clusters

Two-color aperture photometry of the brightest galaxies in a complete sample of nearby Abell clusters is presented. The results are used to anchor the bright end of the Hubble diagram; essentially the entire formal error for this method is then due to the sample of distant clusters used. New determinations of the systematic trend of galaxy absolute magnitude with the cluster properties of richness and Bautz-Morgan type are derived. When these new results are combined with the Gunn and Oke (1975) data on high-redshift clusters, a formal value (without accounting for any evolution) of q sub 0 = -0.55 + or - 0.45 (1 standard deviations) is found.

Hoessel, J. G.↗
NASA NTRS1983

The evolution of clusters of galaxies. I - Very rich clusters

A multiple one-body Monte Carlo code is used to investigate the evolution of galaxies in a steady cluster potential under the influence of dynamical friction, two-body relaxation, tidal stripping, and galaxy mergers. The basic assumptions, estimated time scales, method and computer program, and effects of uncertainties in galaxy encounter physics are addressed. Numerical experiments in which the mass initially carried by galaxies and the mass function are varied are reported. It is shown that the formation of a very massive cluster galaxy depends critically on the number of galaxies, the initial division of cluster material between galaxies and a smooth intracluster medium, the mass spectrum of the galaxies, and chance. By the end of all simulations, less than half of the mass in the central regions of the cluster is bound to galaxies. It appears possible to produce any of the Bautz-Morgan classes from very similar initial conditions.

Richstone, D. O.↗
NASA NTRS1991

The x ray morphology of the relaxed cluster of galaxies A2256. 2: Sources around the extended cluster emission

X-ray emission from cluster galaxies as well as from 'dark objects' (i.e. not visible on the Palomar Observatory Sky Survey (POSS)) seen in the x-ray observation of A2256 with the imaging proportional counter on board ROSAT (x-ray astronomy satellite), is reported. This observation revealed significantly more sources in the field around the extended cluster emission than one would expect by chance. In a preliminary investigation, 14 sources were discovered at the limiting flux for this exposure, whereas about 7 sources would have been expected by chance. At least two of those sources are coincident with cluster member galaxies, having x-ray luminosities of approximately 10(exp +42) erg/s in the ROSAT energy band from 0.1 to 2.4 keV, but at least four more are from 'dark' objects. The similarity of these objects to those in A1367 suggests the existence of a new class of x-ray sources in clusters.

Henry, J. Patrick↗
NASA NTRS1993

Statistics of highly magnified gravitational images in clusters of galaxies. I - Implications for the clusters. II - Implications for the sources

A study is presently conducted of the probability distribution of observing images of background galaxies that are gravitationally lensed in the form of elongated arcs by clusters of galaxies, as a function of arc width, curvature radius, and the elongation's orientation. An upper limit is obtained on the size of the cores which is smaller than cluster core radii obtained for the gas from the X-ray surface brightness. It is argued that lensing clusters tend to be elongated along the line of sight; projection effects will enhance surface density. In the second part of this work, it is shown that the number of arcs expected in lensing clusters is primarily dependent on the angular size of the sources, since lower magnification is required to generate an arc of fixed length for a larger source.

Miralda-Escude, Jordi↗
NASA NTRS1993

An H-alpha survey of cluster spirals - Comparison of star formation in clusters and the field

In an objective prism survey of eight nearby Abell clusters, we have detected H-alpha emission from 77 out of a total of 201 CGCG spiral galaxies. We find that detection of H alpha emission is approximately independent of galaxy absolute magnitude, distance to the cluster center, and the presence of a bar. However, tidally distorted spirals are much more likely to be detected than undistorted spirals. Furthermore, there is a strong tendency for tidally distorted spirals to have compact nuclear emission rather than more extended disk-wide emission. When compared to field spirals, we find that late-type (Sc and Sc-Irr) cluster spirals have less H alpha emission, while early-type (Sa and Sab) cluster spirals can have significantly enhanced emission. The enhanced emission is most likely to be due to tidally induced star formation from galaxy-galaxy interactions.

Moss, C.↗
NASA NTRS1993

Dynamics of cD clusters of galaxies. I - Redshift data for seven clusters

We present the initial results of a spectroscopic study of a sample of cD galaxy clusters. The goal of this program is to study the dynamics of the clusters, with emphasis on determining the nature and frequency of peculiar velocity cD galaxies. In this paper we present redshifts for 611 galaxies in the fields of the rich Abell clusters A193, A399, A401, A1795, A1809, A2063, and A2124. We discuss our data reduction techniques, and compare our derived velocities with previously published values. We find a frequency of emission line galaxies of about 6 percent in clusters, a factor of 2-3 less than the field.

Hill, John M.↗
NASA NTRS1994

Dynamics of cD clusters of galaxies. II: Analysis of seven Abell clusters

We have investigated the dynamics of the seven Abell clusters A193, A399, A401, A1795, A1809, A2063, and A2124, based on redshift data reported previously by us (Hill & Oegerle, (1993)). These papers present the initial results of a survey of cD cluster kinematics, with an emphasis on studying the nature of peculiar velocity cD galaxies and their parent clusters. In the current sample, we find no evidence for significant peculiar cD velocities, with respect to the global velocity distribution. However, the cD in A2063 has a significant (3 sigma) peculiar velocity with respect to galaxies in the inner 1.5 Mpc/h, which is likely due to the merger of a subcluster with A2063. We also find significant evidence for subclustering in A1795, and a marginally peculiar cD velocity with respect to galaxies within approximately 200 kpc/h of the cD. The available x-ray, optical, and galaxy redshift data strongly suggest that a subcluster has merged with A1795. We propose that the subclusters which merged with A1795 and A2063 were relatively small, with shallow potential wells, so that the cooling flows in these clusters were not disrupted. Two-body gravitational models of the A399/401 and A2063/MKW3S systems indicate that A399/401 is a bound pair with a total virial mass of approximately 4 x 10(exp 15) solar mass/h, while A2063 and MKW3S are very unlikely to be bound.

Oegerle, William R.↗