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At least 1,711 records · Page 95

A filter-dependent granular temperature model from large-scale CFD-DEM data

The computational study of strongly-coupled, gas–solid flows at scales relevant to most environmental and engineering applications requires the use of ‘coarse-grained’ methodologies such as the two-fluid model, particle-in-cell approach or the multiphase Reynolds Averaged Navier–Stokes equations. While these strategies enable computations at desirable length- and time-scales, they rely heavily on models to capture important flow physics that occur at scales smaller than the mesh. To date, the models that do exist are based on a limited set of flow conditions, such as very dilute particle phase. To this end, we leverage a large-scale repository of CFD-DEM data to develop filter-size dependent models for the mean variance in particle volume fraction, a quantity commonly used to assess the degree of clustering, and the granular temperature, a key quantity for accurately predicting gas–solid flows. In conclusion, because of its filter-size dependence, the granular temperature model can be directly translated to coarse-grained approaches and tied directly to grid size.

AMReX↗

Structures and chemical bonding of B{sub 3}O{sub 3}{sup −/0} and B{sub 3}O{sub 3}H{sup −/0}: A combined photoelectron spectroscopy and first-principles theory study

We present a combined photoelectron spectroscopy and first-principles theory study on the structural and electronic properties and chemical bonding of B{sub 3}O{sub 3}{sup −/0} and B{sub 3}O{sub 3}H{sup −/0} clusters. The concerted experimental and theoretical data show that the global-minimum structures of B{sub 3}O{sub 3} and B{sub 3}O{sub 3}H neutrals are very different from those of their anionic counterparts. The B{sub 3}O{sub 3}{sup −} anion is characterized to possess a V-shaped OB–B–BO chain with overall C{sub 2v} symmetry (1A), in which the central B atom interacts with two equivalent boronyl (B≡O) terminals via B–B single bonds as well as with one O atom via a B=O double bond. The B{sub 3}O{sub 3}H{sup −} anion has a C{sub s} (2A) structure, containing an asymmetric OB–B–OBO zig-zag chain and a terminal H atom interacting with the central B atom. In contrast, the C{sub 2v} (1a) global minimum of B{sub 3}O{sub 3} neutral contains a rhombic B{sub 2}O{sub 2} ring with one B atom bonded to a BO terminal and that of neutral B{sub 3}O{sub 3}H (2a) is also of C{sub 2v} symmetry, which is readily constructed from C{sub 2v} (1a) by attaching a H atom to the opposite side of the BO group. The H atom in B{sub 3}O{sub 3}H{sup −/0} (2A and 2a) prefers to interact terminally with a B atom, rather than with O. Chemical bonding analyses reveal a three-center four-electron (3c-4e) π hyperbond in the B{sub 3}O{sub 3}H{sup −} (2A) cluster and a four-center four-electron (4c-4e) π bond (that is, the so-called o-bond) in B{sub 3}O{sub 3} (1a) and B{sub 3}O{sub 3}H (2a) neutral clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The evolution of active galactic nuclei in clusters of galaxies from the Dark Energy Survey

The correlation between active galactic nuclei (AGN) and environment provides important clues to AGN fueling and the relationship of black hole growth to galaxy evolution. Here, we analyze the fraction of galaxies in clusters hosting AGN as a function of redshift and cluster richness for X-ray detected AGN associated with clusters of galaxies in Dark Energy Survey (DES) Science Verification data. The present sample includes 33 AGN with L_X > 10 43 ergs s -1 in non-central, host galaxies with luminosity greater than 0.5 L* from a total sample of 432 clusters in the redshift range of 0.1 0.7. Our result is in good agreement with previous work and parallels the increase in star formation in cluster galaxies over the same redshift range. But, the AGN fraction in clusters is observed to have no significant correlation with cluster mass. Future analyses with DES Year 1 through Year 3 data will be able to clarify whether AGN activity is correlated to cluster mass and will tightly constrain the relationship between cluster AGN populations and redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

A measurement of the Hubble constant from the X-ray properties and the Sunyaev-Zel'dovich effect of Abell 2218

The distance of the cluster of galaxies Abell 2218, and hence the value of the Hubble constant, has been measured by comparing the X-ray properties and the Sunyaev-Zel'dovich effect of the cluster. The result for the Hubble constant is H(sub zero) = 65 +/- 25 km/s/MPC, where the error includes the random and systematic errors, combined in quadrature, and the largest contributions to the overall error come from systematic errors in the Sunyaev-Zel'dovich effect data and in the X-ray spectrum of the cluster. The X-ray and Sunyaev-Zel'dovich effect data are consistent with the same model for the intergalactic medium in Abell 2218 (an isothermal Beta-model with Beta is about 0.65 and cluster core radius about 1.0 min). A prevous report of a smaller Hubble constant, found by applying the same method on the same cluster, is shown to be based on a model for the cluster gas that is inconsistent with the Einstein IPC data. The present result for the Hubble constant is consistent with the value found earlier for the cluster Abell 665: by combining the results of the method for both clusters we conclude that the value of the Hubble constant is H(sub zero) = 55 +/- 17 km/s/MPC.

Birkinshaw, M.↗

Improved galactic foreground removal for B-mode detection with clustering methods

ABSTRACT Characterizing the sub-mm Galactic emission has become increasingly critical especially in identifying and removing its polarized contribution from the one emitted by the cosmic microwave background (CMB). In this work, we present a parametric foreground removal performed on to sub-patches identified in the celestial sphere by means of spectral clustering. Our approach takes into account efficiently both the geometrical affinity and the similarity induced by the measurements and the accompanying errors. The optimal partition is then used to parametrically separate the Galactic emission encoding thermal dust and synchrotron from the CMB one applied on two nominal observations of forthcoming experiments from the ground and from the space. Moreover, the clustering is performed on tracers that are different from the data used for component separation, e.g. the spectral index maps of dust and synchrotron. Performing the parametric fit singularly on each of the clustering derived regions results in an overall improvement: both controlling the bias and the uncertainties in the CMB B-mode recovered maps. We finally apply this technique using the map of the number of clouds along the line of sight, $\mathcal {N}_c$, as estimated from H i emission data and perform parametric fitting on to patches derived by clustering on this map. We show that adopting the $\mathcal {N}_c$ map as a tracer for the patches related to the thermal dust emission, results in reducing the B-mode residuals post-component separation. The code is made publicly available https://github.com/giuspugl/fgcluster.

79 ASTRONOMY AND ASTROPHYSICS↗

Detection of spatial clustering in the 1000 richest SDSS DR8 redMaPPer clusters with nearest neighbor distributions

ABSTRACT Distances to the k-nearest-neighbor (kNN) data points from volume-filling query points are a sensitive probe of spatial clustering. Here, we present the first application of kNN summary statistics to observational clustering measurement, using the 1000 richest redMaPPer clusters (0.1 ≤ z ≤ 0.3) from the SDSS DR8 catalog. A clustering signal is defined as a difference in the cumulative distribution functions (CDFs) of kNN distances from fixed query points to the observed clusters versus a set of unclustered random points. We find that the k = 1, 2-NN CDFs of redMaPPer deviate significantly from the randoms’ across scales of 35 to 155 Mpc, which is a robust signature of clustering. In addition to kNN, we also measure the two-point correlation function for the same set of redMaPPer clusters versus random points, which shows a noisier and less significant clustering signal within the same radial scales. Quantitatively, the χ2 distribution for both the kNN-CDFs and the two-point correlation function measured on the randoms peak at χ2 ∼ 50 (null hypothesis), whereas the kNN-CDFs (χ2 ∼ 300, p = 1.54 × 10−36) pick up a much more significant clustering signal than the two-point function (χ2 ∼ 100, p = 1.16 × 10−6) when measured on redMaPPer. Finally, the measured 3NN and 4NN CDFs deviate from the predicted k = 3, 4-NN CDFs assuming an ideal Gaussian field, indicating a non-Gaussian clustering signal for redMaPPer clusters, although its origin might not be cosmological due to observational systematics. Therefore, kNN serves as a more sensitive probe of clustering complementary to the two point correlation function, providing a novel approach for constraining cosmology and galaxy–halo connection.

79 ASTRONOMY AND ASTROPHYSICS↗

Dark Energy Survey Year 6 results: Intra-cluster light from redshift 0.2 to 0.5

Using the full 6 years of imaging data from the Dark Energy Survey, we study the surface brightness profiles of galaxy cluster central galaxies and intra-cluster light. We apply a ‘stacking’ method to over 4000 galaxy clusters identified by the redMaPPer cluster finder in the redshift range of 0.2−0.5. This yields high-signal-to-noise circularly averaged profile measurements of the central galaxy and intra-cluster light out to 1 Mpc from the cluster centre. Using redMaPPer richness as a cluster mass indicator, we find that the brightness of the intra-cluster light has a strong mass dependence throughout the 0.2−0.5 redshift range, and this dependence grows stronger at a larger radius. In terms of redshift evolution, we find some evidence that the central galaxy, as well as the diffuse light within the transition region between the cluster central galaxy and intra-cluster light within 80 kpc from the centre, may be growing over time. At larger radii, more than 80 kpc away from the cluster centre, we do not detect evidence of additional redshift evolution beyond the cluster mass dependence, consistent with the findings from the IllustrisTNG hydrodynamic simulation. We speculate that the major driver of intra-cluster light growth, especially at large radii, is associated with cluster mass growth. Finally, we find that the colour of the cluster central galaxy and intra-cluster light displays a radial gradient that becomes bluer at a larger radius, which is consistent with a stellar stripping and disruption origin of intra-cluster light as suggested by simulation studies.

79 ASTRONOMY AND ASTROPHYSICS↗

A high-significance measurement of correlation between unresolved IRAS sources and optically-selected galaxy clusters

We cross-correlate the 100 μm Improved Reprocessing of the IRAS Survey (IRIS) map and galaxy clusters at 0.1 < z < 0.3 in the maxBCG catalogue taken from the Sloan Digital Sky Survey, measuring an angular cross-power spectrum over multipole moments 150 < l < 3000 at a total significance of over 40σ. The cross-spectrum, which arises from the spatial correlation between unresolved dusty galaxies that make up the cosmic infrared background (CIB) in the IRIS map and the galaxy clusters, is well-fit by a single power law with an index of −1.28±0.12, similar to the clustering of unresolved galaxies from cross-correlating far-infrared and submillimetre maps at longer wavelengths. Using a recent, phenomenological model for the spectral and clustering properties of the IRIS galaxies, we constrain the large-scale bias of the maxBCG clusters to be 2.6±1.4, consistent with existing analyses of the real-space cluster correlation function. The success of our method suggests that future CIB-optical cross-correlations using Planck and Herschel data will significantly improve our understanding of the clustering and redshift distribution of the faint CIB sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Substructure within clusters of galaxies

Surface number density contour maps based on Dressler's (1976, 1980) studies of 65 rich clusters are presented to demonstrate the frequent occurrence of substructure in these dense systems. A prescription is given for examining the significance of such structure and it is shown that structure on scales equal to or larger than 0.24 Mpc (H0 = 100 km/s Mpc) is present in approximately 40% of the clusters in this sample. Many of the remaining clusters are elongated. The contour plots are useful for comparison with X-ray surface brightness maps. Together with available velocity data, they also serve warning that many rich clusters may not be simply characterized by a single core radius and velocity dispersion.

Geller, M. J.↗

Spectral characteristics and the extent of paleosols of the Palouse formation

Spectral relationships were investigated for several bare soil fields which were in summer fallow rotation on the date of the imagery. Printouts of each band were examined and compared to aerial photography. Bands with dissimilar reflectance patterns for known areas were then combined using ratio techniques which were proven useful in other studies (Williams, 1983). Selected ratios were Thematic Mapper (TM) 1/TM4, TM3/TM4, and TM5/TM4. Cluster analyses and Baysian and Fastclass classifier images were produced using the three ratio images. Plots of cluster analysis outputs revealed distinct groupings of reflectance data representing green crops, ripened crops, soil and green plants, and bare soil. Bare soil was represented by a line of clusters on plots of the ratios TM5/TM4 and TM3/TM4. The soil line was investigated further to determine factors involved in the distributin of clusters alone the line. The clusters representing the bare soil line were also studied by plotting the Tm5/TM4, TM1/TM4 dimension. A total of 76 soil samples were gathered and analyzed for organic carbon.

Frazier, B. E.↗

Completeness and coverage of open-access freshwater fish distribution data in the United States

Aim: Primary biodiversity data constitute observations of particular species at given points in space and time. Open-access databases provide unprecedented access to these data, but their utility depends on how complete species inventories are at a given surveying resolution and how uniformly distributed surveys are in space and time. Our aim was to characterize the completeness of freshwater fish data across spatial scales and among habitat types (lotic stream reaches and lentic waterbodies), and assess coverage bias in space and time. Location: Freshwater habitats of the contiguous United States. Methods: We compiled fish occurrence records from the Global Biodiversity Information Facility (GBIF), the Multi-state Aquatic Resources Information Server (MARIS), and three federally-administered surveys (EMAP, NAQWA, NRS). Next, we evaluated survey completeness across seven spatial resolutions representing nested stream catchments, and separately for lotic and lentic habitats. Lastly, we tested for bias in survey coverage along environmental and temporal gradients for each habitat type. Results: A total of 39,855,157 records representing 1925 species were available from 1800 to 2014. The percent of catchments surveyed increased as spatial resolution decreased while the density of occurrence records within surveyed catchments decreased. Species richness also increased with catchment size consistent with putative species–area relationships. Occurrence records were distributed among 72,114 lotic reaches and 3,325 lentic waterbodies throughout the contiguous US. Seven percent (N=5,055) of surveyed lotic reaches and 23% (N=771) of surveyed lentic waterbodies were well-surveyed based on the most conservative thresholds for two completeness indices. Most well-surveyed lotic reaches (95%) and undammed lentic waterbodies (97%) were completed since 1980, and most were surveyed during only one 20-year time interval (83% and 56% for lotic and lentic waterbodies, respectively). Coverage analyses indicated that contemporary and future climates corresponding to regions along the west coast and gulf coast are the most under-represented for both lotic and lentic habitats. Small lentic waterbodies (surface area < 0.1 km2) are also under-represented. Main Conclusions: Contemporary surveys of lotic reaches and, to a lesser extent, lentic waterbodies are plentiful and generally representative of climatic and landscape characteristics. Data compilation efforts should focus on adding historical data to public repositories. Clustering of well-surveyed waterbodies in MARIS-participating states highlights the value of state-agency data and demonstrates the need for dissemination of these data by more state agencies.

60 APPLIED LIFE SCIENCES↗

Rapid Calculation of Max-Min Fair Rates for Multi-Commodity Flows in Fat-Tree Networks

Max-min fairness is often used in the performance modeling of interconnection networks. Existing methods to compute max-min fair rates for multi-commodity flows have high complexity and are computationally infeasible for large networks. In this paper, we show that by considering topological features, this problem can be solved efficiently for the fat-tree topology that is widely used in data centers and high performance compute clusters. Several efficient new algorithms are developed for this problem, including a parallel algorithm that can take advantage of multi-core and shared-memory architectures. Using these algorithms, we demonstrate that it is possible to find the max-min fair rate allocation for multi-commodity flows in fat-tree networks that support tens of thousands of nodes. We evaluate the run-time performance of the proposed algorithms and show improvement in orders of magnitude over the previously best known method. Finally, we further demonstrate a new application of max-min fair rate allocation that is only computationally feasible using our new algorithms.

97 MATHEMATICS AND COMPUTING↗

Active and Transfer Learning of High-Dimensional Neural Network Potentials for Transition Metals

Classical molecular dynamics (MD) simulations represent a very popular and powerful tool for materials modeling and design. The predictive power of MD hinges on the ability of the interatomic potential to capture the underlying physics and chemistry. There have been decades of seminal work on developing interatomic potentials, albeit with a focus predominantly on capturing the properties of bulk materials. Such physics-based models, while extensively deployed for predicting the dynamics and properties of nanoscale systems over the past two decades, tend to perform poorly in predicting nanoscale potential energy surfaces (PESs) when compared to high-fidelity first-principles calculations. These limitations stem from the lack of flexibility in such models, which rely on a predefined functional form. Machine learning (ML) models and approaches have emerged as a viable alternative to capture the diverse size-dependent cluster geometries, nanoscale dynamics, and the complex nanoscale PESs, without sacrificing the bulk properties. Here, in this study, we introduce an ML workflow that combines transfer and active learning strategies to develop high-dimensional neural networks (NNs) for capturing the cluster and bulk properties for several different transition metals with applications in catalysis, microelectronics, and energy storage, to name a few. Our NN first learns the bulk PES from the high-quality physics-based models in literature and subsequently augments this learning via retraining with a higher-fidelity first-principles training data set to concurrently capture both the nanoscale and bulk PES. Our workflow departs from status-quo in its ability to learn from a sparsely sampled data set that nonetheless covers a diverse range of cluster configurations from near-equilibrium to highly nonequilibrium as well as learning strategies that iteratively improve the fingerprinting depending on model fidelity. All the developed models are rigorously tested against an extensive first-principles data set of energies and forces of cluster configurations as well as several properties of bulk configurations for 10 different transition metals. Our approach is material agnostic and provides a methodology to transfer and build upon the learnings from decades of seminal work in molecular simulations on to a new generation of ML-trained potentials to accelerate materials discovery and design.

36 MATERIALS SCIENCE↗

Sonora exploratory study for the detection of wheat-leaf rust

The applicability of LANDSAT remote sensing technology to the detection of a wheat-leaf-rust epidemic in Sonora, Mexico, during 1977 was investigated. LANDSAT data acquired during crop years 1975-76 and 1976-77 were clustered, classified, and analyzed in order to detect agricultural changes. Analysis of 1977 data indicates a significant proportion of the identified wheat is stressed (potentially rust-infected). Additional analyses show a significant increase in fallowing during the year, as well as a substantial decrease in reservoir levels in the Sonora agricultural region. Ground observations are required to substantiate these analyses. The possibility exists that heat-rust is not LANDSAT detectable and that the clusters identified as containing stressed signatures represent different varieties of wheat or perhaps nonwheat crops.

Payne, R. W.↗

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Third-Order Møller–Plesset Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions

In this study, we develop and test methods that include second- and third-order perturbation theory (MP3) using orbitals obtained from regularized orbital-optimized second-order perturbation theory, κ-OOMP2, denoted as MP3:κ-OOMP2. Testing MP3:κ-OOMP2 shows RMS errors that are 1.7-5 times smaller than those of MP3 across 7 data sets. To do still better, empirical training of the scaling factors for the second- and third-order correlation energies and the regularization parameter on one of those data sets led to an unregularized scaled (c 2 = 1.0; c 3 = 0.8) denoted as MP2.8:κ-OOMP2. MP2.8:κ-OOMP2 yields significant additional improvement over MP3:κ-OOMP2 in 4 of 6 test data sets on thermochemistry, kinetics, and noncovalent interactions. Remarkably, these two methods outperform coupled cluster with singles and doubles in 5 of the 7 data sets considered, at greatly reduced cost (no O(N 6 ) iterations).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Knowledge Discovery for Smart Grid Operation, Control, and Situation Awareness -- A Big Data Visualization Platform

In this paper, a big data visualization platform is designed to discover the hidden useful knowledge for smart grid (SG) operation, control and situation awareness. The spawn of smart sensors at both grid side and customer side can provide large volume of heterogeneous data that collect information in all time spectrums. Extracting useful knowledge from this big-data poll is still challenging. In this paper, the Apache Spark, an open source cluster computing framework, is used to process the big-data to effectively discover the hidden knowledge. A high-speed communication architecture utilizing the Open System Interconnection (OSI) model is designed to transmit the data to a visualization platform. This visualization platform uses Google Earth, a global geographic information system (GIS) to link the geological information with the SG knowledge and visualize the information in user defined fashion. The University of Denver's campus grid is used as a SG test bench and several demonstrations are presented for the proposed platform.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Evidence for a Merger-induced Shock Wave in ZwCl 0008.8+5215 with Chandra and Suzaku

We present the results from new deep Chandra (~410 ks) and Suzaku (~180 ks) observations of the merging galaxy cluster ZwCl 0008.8+5215 (z = 0.104). Previous radio observations revealed the presence of a double radio relic located diametrically west and east of the cluster center. Using our new Chandra data, we find evidence for the presence of a shock at the location of the western relic, RW, with a Mach number ${{ \mathcal M }}_{{S}_{X}}={1.48}_{-0.32}^{+0.50}$ from the density jump. We also measure ${{ \mathcal M }}_{{T}_{X}}={2.35}_{-0.55}^{+0.74}$ and ${{ \mathcal M }}_{{T}_{X}}={2.02}_{-0.47}^{+0.74}$ from the temperature jump, with Chandra and Suzaku, respectively. These values are consistent with the Mach number estimate from a previous study of the radio spectral index, under the assumption of diffusive shock acceleration (${{ \mathcal M }}_{\mathrm{RW}}={2.4}_{-0.2}^{+0.4}$). Interestingly, the western radio relic does not entirely trace the X-ray shock. A possible explanation is that the relic traces fossil plasma from nearby radio galaxies that is reaccelerated at the shock. For the eastern relic we do not detect an X-ray surface brightness discontinuity, despite the fact that radio observations suggest a shock with ${{ \mathcal M }}_{\mathrm{RE}}={2.2}_{-0.1}^{+0.2}$. The low surface brightness and reduced integration time for this region might have prevented the detection. The Chandra surface brightness profile suggests ${ \mathcal M }\lesssim 1.5$, while the Suzaku temperature measurements found ${{ \mathcal M }}_{{T}_{X}}={1.54}_{-0.47}^{+0.65}$. Lastly, we also detect a merger-induced cold front on the western side of the cluster, behind the shock that traces the western relic.

79 ASTRONOMY AND ASTROPHYSICS↗