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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evidence for AGN-regulated Cooling in Clusters at z ∼ 1.4: A Multiwavelength View of SPT-CL J0607-4448

Abstract We present a multiwavelength analysis of the galaxy cluster SPT-CL J0607-4448 (SPT0607), which is one of the most distant clusters discovered by the South Pole Telescope at z = 1.4010 ± 0.0028. The high-redshift cluster shows clear signs of being relaxed with well-regulated feedback from the active galactic nucleus (AGN) in the brightest cluster galaxy (BCG). Using Chandra X-ray data, we construct thermodynamic profiles and determine the properties of the intracluster medium. The cool-core nature of the cluster is supported by a centrally peaked density profile and low central entropy ( K 0 = 18 − 9 + 11 keV cm 2 ), which we estimate assuming an isothermal temperature profile due to the limited spectral information given the distance to the cluster. Using the density profile and gas cooling time inferred from the X-ray data, we find a mass-cooling rate M ̇ cool = 100 − 60 + 90 M ⊙ yr −1 . From optical spectroscopy and photometry around the [O ii ] emission line, we estimate that the BCG star formation rate is SFR [ O II ] = 1.7 − 0.6 + 1.0 M ⊙ yr −1 , roughly two orders of magnitude lower than the predicted mass-cooling rate. In addition, using ATCA radio data at 2.1 GHz, we measure a radio jet power P cav = 3.2 − 1.3 + 2.1 × 10 44 erg s −1 , which is consistent with the X-ray cooling luminosity ( L cool = 1.9 − 0.5 + 0.2 × 10 44 erg s −1 within r cool = 43 kpc). These findings suggest that SPT0607 is a relaxed, cool-core cluster with AGN-regulated cooling at an epoch shortly after cluster formation, implying that the balance between cooling and feedback can be reached quickly. We discuss the implications for these findings on the evolution of AGN feedback in galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Light Exposure Promotes Degradation of Intermediates and Growth of Phosphine-Ligated Gold Clusters

Subnanometer clusters exhibit unique properties not observed at the bulk or nanometer scale. Many applications, however, require clusters to be monodisperse in size and composition.While substantial progress has been made empirically on producing specific-sized gold clusters using different ligands, the mechanisms of cluster formation remain insufficiently understood. Using high mass-resolution electrospray ionization mass spectrometry (ESI-MS), we characterized the formation of cationic triphenylphosphine-ligated gold clusters [Aux(PPh3)y z+] in solution. Our data provides evidence that small hydrogen-containing intermediate “building blocks” (i.e., Au2(PPh3)2H+, Au4(PPh3)4H+, and Au7(PPh3)7H5 2+) are responsible for the growth of larger gold clusters (i.e., Au6(PPh3)6 2+ and Au8(PPh3)7 2+) over several hours. In addition, intermediate degradation and cluster growth are shown to be dependent on irradiation of the reacting solution with light. Specifically, the rate of growth of large clusters is demonstrated to scale with the intensity of light exposure. Complementary theoretical calculations were also performed that provide molecular-level insight into the nature of the bonding between the hydrogens and gold atoms in the intermediate Au-phosphine clusters. Collectively, our joint experimental and theoretical findings advance the understanding of the factors at play in the size-selective synthesis of ligated gold clusters in solution.

Hewitt, Michael A.↗
DOE OSTI2025

Large‐Scale Statistically Meaningful Patterns (LSMPs) Associated With Precipitation Extremes Over Northern California

Abstract We analyze large‐scale statistically meaningful patterns (LSMPs) that precede extreme precipitation (PEx) events over Northern California (NorCal). We find LSMPs by applying k‐means clustering to the two leading principal components of daily 500 hPa geopotential height anomalies two days before the onset, from October to March during 1948–2015. Statistical significance testing based on Monte Carlo simulations suggests a minimum of four statistically distinguished LSMP clusters. The four LSMP clusters are characterized as Northwest continental negative height anomaly, Eastward positive “Pacific‐North American Pattern (PNA),” Westward negative “PNA,” and Prominent Alaskan ridge. These four clusters, shown in multiple variables, evolve very differently and have differing links to the Arctic and tropical Pacific regions. Using binary forecast skill measures and a new copula‐based framework for predicting PEx events, we find LSMP indices that are useful predictors of NorCal PEx events, with moisture‐based variables being the best predictors of PEx events at least 6 days before the onset, and the lower atmospheric variables being better than their upper atmospheric counterparts any day in advance tested. To ensure statistical rigor, the LSMPs analyzed here (with the modified acronym) include local tests of both significance and consistency, which are not always featured in the literature on large‐scale meteorological patterns.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

RELICS: The Reionization Lensing Cluster Survey and the Brightest High- z Galaxies

Massive foreground galaxy clusters magnify and distort the light of objects behind them, permitting a view into both the extremely distant and intrinsically faint galaxy populations. Here we present the $z\sim 6\mbox{--}8$ candidate high-redshift galaxies from the Reionization Lensing Cluster Survey (RELICS), a Hubble and Spitzer Space Telescope survey of 41 massive galaxy clusters spanning an area of ≈200 arcmin2. These clusters were selected to be excellent lenses, and we find similar high-redshift sample sizes and magnitude distributions as the Cluster Lensing And Supernova survey with Hubble (CLASH). We discover 257, 57, and eight candidate galaxies at z ~ 6, 7, and 8 respectively, (322 in total). The observed (lensed) magnitudes of the z ~ 6 candidates are as bright as AB mag ~23, making them among the brightest known at these redshifts, comparable with discoveries from much wider, blank-field surveys. RELICS demonstrates the efficiency of using strong gravitational lenses to produce high-redshift samples in the epoch of reionization. These brightly observed galaxies are excellent targets for follow-up study with current and future observatories, including the James Webb Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Formation and Reconnection of Electron Scale Current Layers in the Turbulent Outflows of a Primary Reconnection Site

We simulate with 3D particle in cell, the spontaneous formation of turbulent outflows in an initially laminar 3D reconnecting current layer. We observe the formation of many secondary current layers and reconnection sites in the outflow. The approach we follow is to study each individual feature within the turbulent outflow. To identify all clusters of current in the outflow we use a clustering technique widely used in unsupervised machine learning: density-based spatial clustering of applications with noise. Once the clusters are identified we measure their size and compute reconnection indicators to establish which are undergoing reconnection. With this analysis we establish that the size of the current clusters reaches all the way from its initial system scale down to subelectron skin depth scale. We observe that the smaller current clusters are more prone to reconnecting and to releasing energy. We then find the process of reconnection of the smaller current cluster to be of the recently observed electron-only type that leaves the ions essentially unaffected.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Chemical complexity suppresses interstitial solute segregation to screw dislocation cores in the bcc NbTaTiHfZr high-entropy alloy

Recent reports suggest that interstitial solute additions to body-centered cubic (bcc) high-entropy alloys (HEAs) may enhance their mechanical properties. However, details of interactions between interstitial atoms and dislocations in these HEAs remain incompletely understood. Using first-principles calculations, we examine the energetics of C, N, and O interstitial solutes in elemental bcc metals and NbTaTiHfZr, focusing on their segregation in screw dislocation cores. We examine two types of core sites and show that the low-energy configuration and associated segregation energy depend on the transition metal group. In NbTaTiHfZr, we find that chemical complexity substantially suppresses interstitial segregation in dislocation cores, as fluctuations in bulk solute energies induce energetically favorable sites that disfavor segregation to core sites. Local chemical order further enhances this effect by promoting solute clustering away from dislocation cores. These findings reveal fundamental differences between the behavior of interstitial atoms in elemental metals and HEAs, with implications for high-temperature plasticity and dynamic strain aging.

Body-centered cubic transition metals↗
DOE OSTI2020

An Investigation of Poorly Studied Open Cluster NGC 4337 Using Multicolor Photometric and Gaia DR2 Astrometric Data

We present a comprehensive analysis (photometric and kinematical) of the poorly studied open cluster NGC 4337 using 2MASS, WISE, APASS, and Gaia DR2 databases. By determining the membership probabilities of stars, we identified the 624 most probable members with membership probability higher than 50% by using proper motion and parallax data taken from Gaia DR2. The mean proper motion of the cluster is obtained as μ{sub x}=−8.83±0.01 and μ {sub y} = 1.49 ± 0.006 mas yr{sup −1}. We find the normal interstellar extinction toward the cluster region. The radial distribution of members provides a cluster radius of 7.′75 (5.63 pc). The estimated age of 1600 ± 180 Myr indicates that NGC 4337 is an old open cluster with a bunch of red giant stars. The overall mass function slope for main-sequence stars is found as 1.46±0.18 within the mass range 0.75−2.0 M{sub ⊙}, which is in fair agreement with Salpeter’s value (x = 1.35) within uncertainty. The present study demonstrates that NGC 4337 is a dynamically relaxed open cluster. Using the Galactic potential model, Galactic orbits are obtained for NGC 4337. We found that this object follows a circular path around the Galactic center. Under the kinematical analysis, we compute the apex coordinates (A, D) by using two methods: (i) the classical convergent point method and (ii) the AD-diagram method. The obtained coordinates are (A {sub conv}, D {sub conv}) = (96.°27 ± 0.°10, 13.°14 ± 0.°27) and (A {sub ◦}, D {sub ◦}) = (100.°282 ± 0.°10, 9.°577 ± 0.°323) respectively. We also computed the Velocity Ellipsoid Parameters, matrix elements (μ {sub ij}), direction cosines (l {sub j}, m {sub j}, n {sub j}), and the Galactic longitude of the vertex (l {sub 2}).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Data-Driven Clustering and Classification of Outage Patterns with Insights into their Links to Extreme Events

At a global level extreme events have increased in both scale and impact. These events have the potential to affect the electrical grid infrastructure and cause a wide range of outages, which can lead to a disruption in daily patterns, cost millions of dollars and also the loss of life. Currently, to track these outage events there have been various approaches developed ranging from regional to national level quantifications for what defines an outage. However, this variation in methods can potentially lead to subjective decision-making and a lack of proper management in relation to the event. While previous work has made strides in determining spatio-temporal patterns, minimal attention has been given to the type and number of outages an area may be exposed to. The differences in incurred cost and the overall severity of an event between a transformer box malfunction and a hurricane are drastic, and by finding historical signals, we can allow for more efficient management, potentially saving lives and millions of dollars. Here, we leverage unsupervised machine learning techniques to delineate outage patterns among 22 counties within the United States and find that there are clear, segregated clusters (0.93 silhouette) of data which are related by event behavior and underlying cause. This finding will allow for energy stakeholders, policy makers, and researchers to gain a deeper understanding of the extent and severity of historic events and to better prepare for electrical grid infrastructure planning and management.

Koob, Benjamin [ORNL]↗
DOE OSTI2024

Back-to-back high category atmospheric river landfalls occur more often on the west coast of the United States

Abstract The catastrophic December 2022-January 2023 nine atmospheric rivers in California underscore the urgent need to better understand such high-risk weather extremes. Here we applied a machine learning clustering tool to understand the activity of atmospheric river clusters. Reanalysis results show that clusters with high density, that is the time fraction under atmospheric river conditions within a cluster, exhibit more frequent high-category atmospheric rivers, alongside an increased likelihood for extreme precipitation and severe land surface responses. The key circulation patterns of atmospheric river clusters are primarily attributed to subseasonal variability. Furthermore, the occurrence and density of atmospheric river clusters are modulated by the daily variability of the geopotential height field. Climate model projections suggest that atmospheric river clusters with higher density and higher categories will be more frequent as warming level increases. Our findings emphasize the important role of atmospheric river clusters in the development of climate adaptation and resilience strategies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The SPTpol Extended Cluster Survey

We describe the observations and resultant galaxy cluster catalog from the 2770 deg2 SPTpol Extended Cluster Survey (SPT-ECS). Clusters are identified via the Sunyaev–Zel'dovich (SZ) effect and confirmed with a combination of archival and targeted follow-up data, making particular use of data from the Dark Energy Survey (DES). With incomplete follow-up we have confirmed as clusters 244 of 266 candidates at a detection significance ξ ≥ 5 and an additional 204 systems at 4 < ξ < 5. The confirmed sample has a median mass of ${M}_{500c}\sim 4.4\times {10}^{14}\,{M}_{\odot }\,{h}_{70}^{-1}$ and a median redshift of z = 0.49, and we have identified 44 strong gravitational lenses in the sample thus far. Radio data are used to characterize contamination to the SZ signal; the median contamination for confirmed clusters is predicted to be ~1% of the SZ signal at the ξ > 4 threshold, and <4% of clusters have a predicted contamination >10% of their measured SZ flux. We associate SZ-selected clusters, from both SPT-ECS and the SPT-SZ survey, with clusters from the DES redMaPPer sample, and we find an offset distribution between the SZ center and central galaxy in general agreement with previous work, though with a larger fraction of clusters with significant offsets. Adopting a fixed Planck-like cosmology, we measure the optical richness–SZ mass ($\lambda -M$) relation and find it to be 28% shallower than that from a weak-lensing analysis of the DES data—a difference significant at the 4σ level—with the relations intersecting at λ = 60. The SPT-ECS cluster sample will be particularly useful for studying the evolution of massive clusters and, in combination with DES lensing observations and the SPT-SZ cluster sample, will be an important component of future cosmological analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Small uranium and oxygen interstitial clusters in UO 2 : An empirical potential study

The aggregation of defect clusters in UO 2 under irradiations creates dislocation loops and cavities, which in turn contribute to swelling of the fuels, leading to detrimental pellet-clad mechanical interactions. The kinetics of the defect clusters, however, have received less attention and are not well understood. As such, using two interatomic potentials, the Morelon potential and a many-body model by Cooper, Rushton, and Grimes (CRG), the energetics and kinetics of small uranium interstitial clusters, with and without bound oxygen interstitials, are investigated with molecular dynamics and accelerated molecular dynamics simulations. For the single bound anti-Schottky interstitial cluster (U i 2O i ), both potentials find the interstitialcy migration mechanism to be a low barrier migration mechanism. However, for the CRG potential, an oxygen Frenkel pair assisted interstitial cluster migration mechanism with a lower migration barrier is identified during accelerated molecular dynamics simulations. For the Morelon potential, the interstitial clusters have geometrically compact structures, and small interstitial clusters (two and three anti-Schottky clusters) are more mobile than the single bound anti-Schottky interstitial cluster; for the CRG potential, the interstitial clusters have geometrically non-compact structures, yielding a more complex energy landscape. The rapid migration of interstitials and interstitial clusters are important for the irradiation response of UO 2 and correlates well with the very low barriers reported in a few historic experimental studies.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Giant orbital polarization of Ni 2+ in a square planar environment

Finding large orbital polarization in Ni-based oxides has become a topic of paramount interest in recent years due to the prospect of finding superconductivity. In this study, we investigate the electronic structure of single-crystalline samples of Sr 2 CuO 3 and Ni-doped Sr 2 CuO 3 containing Cu/NiO 4 square planar units. Our polarization-dependent x-ray absorption spectroscopy experiments reveal extremely large orbital polarization (~63%) for Ni 2+ . Cluster calculations and ab initio calculations find that the giant orbital polarization arises due to the low-spin (S=0) configuration with two holes in the Ni 3d x 2 -y 2 orbital, contrary to the expected high-spin (S=1) state from Hund's first rule.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Structure and sequence evolution in the pennycress ( Thlaspi arvense ) pangenome

Eukaryotic genomes harbor many forms of variation, including nucleotide diversity and structural polymorphisms, which experience natural selection and contribute to genome evolution and biodiversity. Harnessing this variation for agriculture hinges on our ability to detect, quantify, catalog, and deploy genetic diversity. Here, we explore seven complete genomes of the emerging biofuel crop pennycress ( Thlaspi arvense ) drawn from across the species' current genetic diversity to catalog variation in genome structure and content. Across this new pangenome resource, we find contrasting evolutionary modes in different genomic zones. Gene-poor, repeat-rich pericentromeric regions experience frequent rearrangements, including repeated centromere repositioning. By contrast, conserved gene-dense chromosome arms maintain large-scale synteny across accessions even in fast-evolving NOD-like receptor immune genes, where microsynteny breaks down across species, but gene cluster positioning macrosynteny is maintained. Our findings highlight that multiple elements of the genome experience dynamic evolution that conserves functional content on the chromosome scale but allows repositioning and presence–absence variation on a local scale. This diversity is invisible to classical reference-based strategies and highlights the strength and utility of pangenomic resources. These results provide a valuable case study of rapid genomic structural evolution within a species and powerful resources for crop development in an emerging biofuel crop.

Thlaspi arvense↗
DOE OSTI2021

Beyond 4D tracking: using cluster shapes for track seeding

Tracking is one of the most time consuming aspects of event reconstruction at the Large Hadron Collider (LHC) and its high-luminosity upgrade (HL-LHC). Innovative detector technologies extend tracking to four-dimensions by including timing in the pattern recognition and parameter estimation. However, present and future hardware already have additional information that is largely unused by existing track seeding algorithms. The shape of pixel-clusters provides an additional dimension for track seeding that can significantly reduce the combinatorial challenge of track finding. We use neural networks to show that cluster shapes can reduce significantly the rate of fake combinatorical backgrounds while preserving a high efficiency. We demonstrate this using the information in cluster singlets, doublets and triplets. Numerical results are presented with simulations from the TrackML challenge.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo

Molecular hydrogen has the potential to significantly reduce the use of carbon dioxide emitting energy processes. However, hydrogen gas storage is a major bottleneck for its large-scale use as current storage methods are energy intensive. Among different storage methods, physisorbing molecular hydrogen at ambient pressure and temperatures is a promising alternative—particularly in light of the advancements in tunable lightweight nanomaterials and high throughput screening methods. Nonetheless, understanding hydrogen adsorption in well-defined nanomaterials remains experimentally challenging and reference information is scarce despite the proliferation of works predicting hydrogen adsorption. We focus on Li, Na, Ca, and K, decorated graphene sheets as substrates for molecular hydrogen adsorption, and compute the most accurate adsorption energies available to date using quantum diffusion Monte Carlo (DMC). Building on our previous insights at the density functional theory (DFT) level, we find that a weak covalent chemisorption of molecular hydrogen, known as Kubas interaction, is feasible on Ca decorated graphene according to DMC, in agreement with DFT. This finding is in contrast to previous DMC predictions of the 4H2/Ca+ gas cluster (without graphene) where chemisorption is not favored. However, we find that the adsorption energy of hydrogen on metal decorated graphene according to a widely used DFT method is not fully consistent with DMC. The reference adsorption energies reported herein can be used to find better work-horse methods for application in large-scale modeling of hydrogen adsorption. Furthermore, the implications of this work affect strategies for finding suitable hydrogen storage materials and high-throughput methods.

Chemistry↗
DOE OSTI2021

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

We report highly effective doping in transition metal oxides is critical to fundamentally overcome low carrier conductivity due to small polaron formation and reach their ideal efficiency for energy conversion applications. However, the optimal doping concentration in polaronic oxides such as hematite has been extremely low, for example, less than a percent, which hinders the benefits of doping for practical applications. In this work, we investigate the underlying mechanism of low optimal doping concentration with group IV (Ti, Zr, and Hf) and XIV (Si, Ge, Sn, and Pb) dopants from first-principles calculations. We find that novel dopant-polaron clustering occurs even at very low dopant concentrations and resembles electric multipoles. These multipoles can be very stable at room temperature and are difficult to fully ionize compared to separate dopants, and thus they are detrimental to carrier concentration improvement. This allows us to uncover mysteries of the doping bottleneck in hematite and provide guidance for optimizing doping and carrier conductivity in polaronic oxides toward highly efficient energy conversion applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The impact of environmental effects on active galactic nuclei: A decline in the incidence of ionized outflows

Active galactic nuclei (AGNs) have generally been considered to be less frequent in denser environments due to a lower number of galaxy-galaxy interactions and/or the removal of their gas-rich reservoirs by the dense intergalactic medium. However, recent observational and theoretical works suggest that the effect of ram-pressure stripping acting on galaxies in dense environments might reduce the angular momentum of their gas, causing it to infall towards the super massive black hole at their centre, activating the AGN phase. In this work we explore the connection between environment and nuclear activity by evaluating the variation in the incidence of ionized outflows, a common phenomenon associated with nuclear activity, in AGNs across different environments. We select a sample of approximately 3300 optical AGNs from the Sloan Digital Sky Survey Data Release 13, which we match with a group catalogue to identify galaxies in isolation or residing in groups. We further probe their environments through the projected distance to the central galaxy of the group or cluster and the projected surface density to the fifth neighbour (δ 5 ). The presence of ionized outflows is determined through the modelling of the [O III] λ5007 emission line. We find that at lower masses (< 10 10.3 M ⊙ ), the fraction of ionized outflows is significantly lower in satellite AGNs (~7%) than in isolated (~22%) AGNs, probably due to their different AGN luminosity, L [O III] , in this stellar mass range. The fraction of outflows decreases at distances closer to the central galaxy of the group or cluster for all satellite AGNs; however, only the lower-mass ones (10 9 - 10 10.3 M ⊙ ) display a significant decline with δ 5 . Although this study does not include AGNs in the densest regions of galaxy clusters, our findings suggest that AGNs in dense environments accrete less gas than those in the field, potentially due to the removal of the gas reservoirs via stripping or starvation, leading to a negative connection between environment and AGN activity. Based on our results, we propose that the observed change in the incidence of outflows when moving towards denser regions of groups and clusters could contribute to the higher gas metallicities of cluster galaxies compared to field galaxies, especially at lower masses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Dark Energy Survey Year 1 Results: Cosmological Constraints from Cluster Abundances, Weak Lensing, and Galaxy Correlations

We present the first joint analysis of cluster abundances and auto or cross-correlations of three cosmic tracer fields: galaxy density, weak gravitational lensing shear, and cluster density split by optical richness. From a joint analysis (4×2pt+N) of cluster abundances, three cluster cross-correlations, and the auto correlations of the galaxy density measured from the first year data of the Dark Energy Survey, we obtain Ωm=0.305-0.038+0.055 and σ8=0.783-0.054+0.064. This result is consistent with constraints from the DES-Y1 galaxy clustering and weak lensing two-point correlation functions for the flat νΛCDM model. Consequently, we combine cluster abundances and all two-point correlations from across all three cosmic tracer fields (6×2pt+N) and find improved constraints on cosmological parameters as well as on the cluster observable-mass scaling relation. This analysis is an important advance in both optical cluster cosmology and multiprobe analyses of upcoming wide imaging surveys.

79 ASTRONOMY AND ASTROPHYSICS↗