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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dark Energy Survey Year 3 results: calibration of lens sample redshift distributions using clustering redshifts with BOSS/eBOSS

ABSTRACT We present clustering redshift measurements for Dark Energy Survey (DES) lens sample galaxies used in weak gravitational lensing and galaxy clustering studies. To perform these measurements, we cross-correlate with spectroscopic galaxies from the Baryon Acoustic Oscillation Survey (BOSS) and its extension, eBOSS. We validate our methodology in simulations, including a new technique to calibrate systematic errors that result from the galaxy clustering bias, and we find that our method is generally unbiased in calibrating the mean redshift. We apply our method to the data, and estimate the redshift distribution for 11 different photometrically selected bins. We find general agreement between clustering redshift and photometric redshift estimates, with differences on the inferred mean redshift found to be below |Δz| = 0.01 in most of the bins. We also test a method to calibrate a width parameter for redshift distributions, which we found necessary to use for some of our samples. Our typical uncertainties on the mean redshift ranged from 0.003 to 0.008, while our uncertainties on the width ranged from 4 to 9 per cent. We discuss how these results calibrate the photometric redshift distributions used in companion papers for DES Year 3 results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Binary INformation from Open Clusters Using SEDs (BINOCS) Project: Reliable Photometric Mass Determinations of Binary Star Systems in Clusters

We introduce a new binary detection technique, Binary INformation from Open Clusters using SEDs (binocs), which we show is able to determine reliable stellar multiplicity and masses over a much larger mass range than current approaches. This new technique determines accurate component masses of binary and single systems of the open clusters’ main sequence by comparing observed magnitudes from multiple photometric filters to synthetic star spectral energy distributions (SEDs), allowing us to systematically probe the binary population for low-mass stars in clusters for eight well-studied open clusters. We provide new deep, infrared photometric catalogs (1.2–8.0 μm) for the key open clusters NGC 1960 (M36), NGC 2099 (M37), NGC 2420, and NGC 2682 (M67), using observations from NOAO/NEWFIRM and Spitzer/IRAC. Using these deep multiwavelength catalogs, the binocs method is applied to these clusters to determine accurate component masses for unresolved cluster binaries. We explore binary fractions as a function of cluster age, Galactic location, and metallicity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Mass calibration of DES Year-3 clusters via SPT-3G CMB cluster lensing

We measure the stacked lensing signal in the direction of galaxy clusters in the DarkEnergy Survey Year 3 (DES Y3) redMaPPer sample, using cosmic microwave background (CMB)temperature data from SPT-3G, the third-generation CMB camera on the South PoleTelescope (SPT). Here, we estimate the lensing signal using temperature maps constructed fromthe initial 2 years of data from the SPT-3G 'Main' survey, covering 1500 deg$^{2}$ of the Southernsky. We then use this lensing signal as a proxy for the mean cluster mass of the DES sample. Thethermal Sunyaev-Zel'dovich (tSZ) signal, which can contaminate the lensing signal if notaddressed, is isolated and removed from the data before obtaining the mass measurement. In thiswork, we employ three versions of the redMaPPer catalogue: a Flux-Limited sample containing 8865clusters, a Volume-Limited sample with 5391 clusters, and a Volume&Redshift-Limited sample with4450 clusters. For the three samples, we detect the CMB lensing signal at a significance of12.4σ, 10.5σ and 10.2σ and find the mean cluster masses to be M$_{200m}$ = 1.66±0.13 [stat.]± 0.03 [sys.], 1.97±0.18 [stat.]± 0.05 [sys.],and 2.11±0.20 [stat.]± 0.05 [sys.]×10$^{14}$ M$_{⊙}$, respectively. Thisis a factor of ∼ 2 improvement relative to the precision of measurements with previousgenerations of SPT surveys and the most constraining cluster mass measurements using CMB clusterlensing to date. Overall, we find no significant tensions between our results and masses given byredMaPPer mass-richness scaling relations of previous works, which were calibrated using CMBcluster lensing, optical weak lensing, and velocity dispersion measurements from variouscombinations of DES, SDSS and Planck data. We then divide our sample into 3 redshift and 3richness bins, finding no significant discrepancies with optical weak-lensing calibrated masses inthese bins. We forecast a 5.7% constraint on the mean cluster mass of the DES Y3 sample withthe complete SPT-3G surveys when using both temperature and polarization data and including anadditional ∼ 1400 deg$^{2}$ of observations from the 'Extended' SPT-3G survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Stability of Cool Cores during Galaxy Cluster Growth: A Joint Chandra/SPT Analysis of 67 Galaxy Clusters along a Common Evolutionary Track Spanning 9 Gyr

We present the results of a joint analysis of Chandra X-ray and South Pole Telescope (SPT) Sunyaev–Zel’dovich (SZ) observations targeting the first sample of galaxy clusters at 0.3 < z < 1.3, selected to be the progenitors of well-studied nearby clusters based on their expected accretion rate. We develop a new procedure in order to tackle the analysis challenge that is estimating the intracluster medium (ICM) properties of low-mass and high-redshift clusters with ~150 X-ray counts. One of the dominant sources of uncertainty on the ICM density profile estimated with a standard X-ray analysis with such shallow X-ray data is due to the systematic uncertainty associated with the ICM temperature obtained through the analysis of the background-dominated X-ray spectrum. We show that we can decrease the uncertainty on the density profile by a factor varying between 2 and 8 with a joint deprojection of the X-ray surface brightness profile measured by Chandra and the SZ-integrated Compton parameter available in the SPT cluster catalog. We apply this technique to the whole sample of 67 clusters in order to track the evolution of the ICM core density during cluster growth. We confirm that the evolution of the gas density profile is well modeled by the combination of a fixed core and a self-similarly evolving non-cool-core profile. We show that the fraction of cool cores in this sample is remarkably stable with redshift although clusters have gained a factor of ~4 in total mass over the past ~9 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The Local Cluster Survey II: disc-dominated cluster galaxies with suppressed star formation

We investigate the role of dense environments in suppressing star formation by studying $\rm \log _{10}(M_\star /M_\odot) \gt 9.7$ star-forming galaxies in nine clusters from the Local Cluster Survey (0.0137 < z < 0.0433) and a large comparison field sample drawn from the Sloan Digital Sky Survey. We compare the star formation rate (SFR) with stellar mass relation as a function of environment and morphology. After carefully controlling for mass, we find that in all environments, the degree of SFR suppression increases with increasing bulge-to-total (B/T) ratio. In addition, the SFRs of cluster and infall galaxies at a fixed mass are more suppressed than their field counterparts at all values of B/T. These results suggest a quenching mechanism that is linked to bulge growth that operates in all environments and an additional mechanism that further reduces the SFRs of galaxies in dense environments. We limit the sample to B/T ≤ 0.3 galaxies to control for the trends with morphology and find that the excess population of cluster galaxies with suppressed SFRs persists. Here, we model the time-scale associated with the decline of SFRs in dense environments and find that the observed SFRs of the cluster core galaxies are consistent with a range of models including a mechanism that acts slowly and continuously over a long (2–5 Gyr) time-scale, and a more rapid (<1 Gyr) quenching event that occurs after a delay period of 1–6 Gyr. Quenching may therefore start immediately after galaxies enter clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Origin, nature, and the dynamic behavior of nanoscale vacancy clusters in Ni-rich layered oxide cathodes

Oxygen and transition metal (TM) vacancies in transition metal oxides (TMOs) play an important role in materials functionalities. For TMO cathodes of Li-ion batteries, vacancies can be introduced, either deliberately or inevitably, during materials synthesis or upon electrochemical cycling. Effects of vacancies on the electrochemical properties of cathodes critically depend on the dynamic characteristics of vacancies during the battery cycling. However, a fundamental understanding of such characteristics in the layer structured cathode remains elusive. Here, using scanning transmission electron microscopy (STEM), we reveal a cycling-induced aggregation behavior of oxygen and TM vacancies in a Ni-rich layer structured cathode of secondary particles. We discover that during the initial charging, vacancies aggregate to form visible vacancy-rich nanoregions (vacancy clusters) firstly at the outer layer of the secondary particle, and then the vacancy-cluster populated region extends to the inner part of particle upon fully charged. The spatial distinction of preferential nucleation of vacancy clusters at the outer layer indicates that the vacancy migration and clustering is associated with Li migration flux, which is larger at the outer layer, as all the Li from the inner part has to go through the outer layer. With extended cycling (> 50), these vacancy clusters become immobilized. We further reveal that the generation of these vacancy clusters is correlated to the material-synthesis conditions. Our findings solve a long-standing puzzle on the origin, nature, and behavior of the commonly visible vacancy clusters in the NMC cathode, providing insights on correlation between properties and dynamic behaviors of atomic-scale defects in layered oxide cathodes.

Li-ion batteries, layered oxide cathodes, NMC, cat↗
DOE OSTI2022

The XMM Cluster Survey analysis of the SDSS DR8 redMaPPer catalogue: implications for scatter, selection bias, and isotropy in cluster scaling relations

ABSTRACT In this paper, we present the X-ray analysis of Sloan Digital Sky Survey DR8 redMaPPer (SDSSRM) clusters using data products from the XMM Cluster Survey (XCS). In total, 1189 SDSSRM clusters fall within the XMM–Newton footprint. This has yielded 456 confirmed detections accompanied by X-ray luminosity (LX) measurements. Of these clusters, 381 have an associated X-ray temperature measurement (TX). This represents one of the largest samples of coherently derived cluster TX values to date. Our analysis of the X-ray observable to richness scaling relations has demonstrated that scatter in the TX–λ relation is roughly a third of that in the LX–λ relation, and that the LX–λ scatter is intrinsic, i.e. will not be significantly reduced with larger sample sizes. Analysis of the scaling relation between LX and TX has shown that the fits are sensitive to the selection method of the sample, i.e. whether the sample is made up of clusters detected ‘serendipitously’ compared to those deliberately targeted by XMM. These differences are also seen in the LX–λ relation and, to a lesser extent, in the TX–λ relation. Exclusion of the emission from the cluster core does not make a significant impact on the findings. A combination of selection biases is a likely, but yet unproven, reason for these differences. Finally, we have also used our data to probe recent claims of anisotropy in the LX–TX relation across the sky. We find no evidence of anistropy, but stress this may be masked in our analysis by the incomplete declination coverage of the SDSS.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

WIYN Open Cluster Study. LXXXII. Radial-velocity Measurements and Spectroscopic Binary Orbits in the Open Cluster NGC 7789

We present an extensive time-series radial-velocity (RV) survey of stars in the rich open cluster NGC 7789 (1.6 Gyr, [Fe/H] = +0.02). The stellar sample lies within an 18′ circular radius from the cluster center (10 pc in projection, or about 2 core radii), and includes giants, red clump stars, blue stragglers, red stragglers, sub-subgiants, and main-sequence stars down to 1 mag below the turnoff. Our survey began in 2005 and comprises more than 9000 RV measurements from the Hydra Multi-Object Spectrograph on the WIYN 3.5 m telescope. We identify 624 likely cluster members and present the orbital solutions for 81 cluster binary stars with periods between 1.45 and 4200 days. From the main-sequence binary solutions we fit a circularization period of 7.2{sub −1.1}{sup +0.6} days. We calculate an incompleteness-corrected main-sequence binary frequency of 31% ± 4% for binaries with periods less than 10{sup 4} days, similar to other WIYN Open Cluster Survey (WOCS) open clusters of all ages. We detect a blue straggler binary frequency of 33% ± 17%, consistent with the similarly aged open cluster NGC 6819. We also find one secure, rapidly rotating sub-subgiant and one red straggler candidate in our sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces

Metal-cluster surfaces present a wide variety of unique coordination environments. This complexity makes it difficult to manually probe the surface reactivity of such clusters. Here, we present a simple and automated method to systematically discover reaction pathways on cluster surfaces, based on the automated cluster surface scanning (ACSS) technique for mapping out potential energy surfaces. We showcase our method on 55-atom icosahedral Cu and Ag clusters, where we determine the activation energies of four elementary steps common in heterogeneous catalysis – hydrogen recombination (H* + H* → H 2 * + *), oxygen recombination (O* + O* → O 2 * + *), water formation (OH* + H* → H 2 O* + *), and CO oxidation (CO* + O* → CO 2 * + *) – with density functional theory calculations (DFT-PBE + D3). We show that the ACSS method requires significantly less human effort than the established manually performed climbing-image nudged elastic band (MP + CI-NEB) technique and locates transition states with comparable accuracy (root-mean-squared error of 0.10 eV) and similar computational cost. Rigorous sampling of the potential energy surface with the ACSS method allows one to locate all lowest-energy reaction pathways obtained via the MP+CI-NEB approach, as well as alternative pathways that one may have missed with the MP+CI-NEB approach due to the many possible pathways available on these clusters. The accuracy and efficiency afforded by the ACSS method could enable high-throughput exploration of the diverse reactivity of metal clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cluster cosmology without cluster finding

ABSTRACT We propose that observations of supermassive galaxies contain cosmological statistical constraining power similar to conventional cluster cosmology, and we provide promising indications that the associated systematic errors are comparably easier to control. We consider a fiducial spectroscopic and stellar mass complete sample of galaxies drawn from the Dark Energy Spectroscopic Instrument (DESI) and forecast how constraints on Ωm–σ8 from this sample will compare with those from number counts of clusters based on richness λ. At fixed number density, we find that massive galaxies offer similar constraints to galaxy clusters. However, a mass-complete galaxy sample from DESI has the potential to probe lower halo masses than standard optical cluster samples (which are typically limited to λ ≳ 20 and Mhalo ≳ 1013.5 M⊙ h−1); additionally, it is straightforward to cleanly measure projected galaxy clustering wp for such a DESI sample, which we show can substantially improve the constraining power on Ωm. We also compare the constraining power of M*-limited samples to those from larger but mass-incomplete samples [e.g. the DESI Bright Galaxy Survey (BGS) sample]; relative to a lower number density M*-limited samples, we find that a BGS-like sample improves statistical constraints by 60 per cent for Ωm and 40 per cent for σ8, but this uses small-scale information that will be harder to model for BGS. Our initial assessment of the systematics associated with supermassive galaxy cosmology yields promising results. The proposed samples have a ∼10 per cent satellite fraction, but we show that cosmological constraints may be robust to the impact of satellites. These findings motivate future work to realize the potential of supermassive galaxies to probe lower halo masses than richness-based clusters and to potentially avoid persistent systematics associated with optical cluster finding.

(cosmology): large-scale structure of Universe↗
DOE OSTI2025

The XMM Cluster Survey: automating the estimation of hydrostatic mass for large samples of galaxy clusters – I. Methodology, validation, and application to the SDSSRM-XCS sample

ABSTRACT We describe features of the X-ray: Generate and Analyse (xga) open-source software package that have been developed to facilitate automated hydrostatic mass ($M_{\rm hydro}$) measurements from XMM X-ray observations of clusters of galaxies. This includes describing how xga measures global, and radial, X-ray properties of galaxy clusters. We then demonstrate the reliability of xga by comparing simple X-ray properties, namely the X-ray temperature and gas mass, with published values presented by the XMM Cluster Survey (XCS), the Ultimate XMM eXtragaLactic survey project (XXL), and the Local Cluster Substructure Survey (LoCuSS). xga measured values for temperature are, on average, within 1 per cent of the values reported in the literature for each sample. xga gas masses for XXL clusters are shown to be ${\sim }$10 per cent lower than previous measurements (though the difference is only significant at the $\sim 1.8\sigma$ level), LoCuSS $R_{2500}$ and $R_{500}$ gas mass re-measurements are 3 per cent and 7 per cent lower, respectively (representing 1.5$\sigma$ and 3.5$\sigma$ differences). Like-for-like comparisons of hydrostatic mass are made to LoCuSS results, which show that our measurements are $10{\pm }3~{{\rm per\ cent}}$ ($19{\pm }7~{{\rm per\ cent}}$) higher for $R_{2500}$ ($R_{500}$). The comparison between $R_{500}$ masses shows significant scatter. Finally, we present new $M_{\rm hydro}$ measurements for 104 clusters from the Sloan Digital Sky Survey (SDSS) DR8 redMaPPer XCS sample (SDSSRM-XCS). Our SDSSRM-XCS hydrostatic mass measurements are in good agreement with multiple literature estimates, and represent one of the largest samples of consistently measured hydrostatic masses. We have demonstrated that xga is a powerful tool for X-ray analysis of clusters; it will render complex-to-measure X-ray properties accessible to non-specialists.

Turner, D. J. (ORCID:0000000196581396)↗
DOE OSTI2023

Relativistic Effects From Coupled-Cluster Theory

We discuss the theory and computational challenges of the relativistic coupled-cluster methods. Example calculations of heavy-atom-containing molecules are then presented to demonstrate the importance of scalar-relativistic, spin-orbit coupling, and electron-correlation effects on molecular properties as well as the applicability and usefulness of relativistic coupled-cluster methods in calculations aiming at high-accuracy results. Here, a unique applicability of the spinor-based relativistic coupled-cluster methods is also highlighted using the calculations of open shell actinide-containing small molecules. As a result, a summary is given together with an outlook into future developments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Mapping the Temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage

We explore the kinetic processes that sustain equilibrium in a microscopic, finite system. This is accomplished by monitoring the spontaneous, time-dependent frequency evolution (the frequency autocorrelation) of a single OH oscillator, embedded in a water cluster held in a temperature-controlled ion trap. The measurements are carried out by applying two-color, IR-IR photodissociation mass spectrometry to the D3O+?(HDO)(D2O)19 isotopologue of the “magic number” protonated water cluster, H+?(H2O)21. The OH group can occupy any one of the five spectroscopically distinct sites in the distorted pentagonal dodecahedron cage structure. The OH frequency is observed to evolve over tens of milliseconds in the temperature range (90-120 K). Starting at 100 K, large “jumps” are observed between two OH frequencies separated by ~300 cm-1 indicating migration of the OH group from the bound OH site at 3350 cm-1 to the free position at 3686 cm-1. Increasing the temperature to 110 K leads to partial interconversion among many sites. All sites are observed to interconvert at 120 K such that the distribution of the unique OH group among them adopts the form one would expect for a canonical ensemble. The spectral dynamics displayed by the clusters thus offer an unprecedented view into the molecular-level processes that drive spectral diffusion in an extended network of water molecules.

Yang, Nan↗
DOE OSTI2020

Clusters have edges: the projected phase-space structure of SDSS redMaPPer clusters

ABSTRACT We study the distribution of line-of-sight velocities of galaxies in the vicinity of Sloan Digital Sky Survey (SDSS) red-sequence Matched-filter Probabilistic Percolation (redMaPPer) galaxy clusters. Based on their velocities, galaxies can be split into two categories: galaxies that are dynamically associated with the cluster, and random line-of-sight projections. Both the fraction of galaxies associated with the galaxy clusters, and the velocity dispersion of the same, exhibit a sharp feature as a function of radius. The feature occurs at a radial scale Redge ≈ 2.2Rλ, where Rλ is the cluster radius assigned by redMaPPer. We refer to Redge as the ‘edge radius’. These results are naturally explained by a model that further splits the galaxies dynamically associated with a galaxy cluster into a component of galaxies orbiting the halo and an infalling galaxy component. The edge radius Redge constitutes a true ‘cluster edge’, in the sense that no orbiting structures exist past this radius. A companion paper tests whether the ‘halo edge’ hypothesis holds when investigating the full three-dimensional phase-space distribution of dark matter substructures in numerical simulations, and demonstrates that this radius coincides with a suitably defined splashback radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Exploring the contamination of the DES-Y1 cluster sample with SPT-SZ selected clusters

ABSTRACT We perform a cross validation of the cluster catalogue selected by the red-sequence Matched-filter Probabilistic Percolation algorithm (redMaPPer) in Dark Energy Survey year 1 (DES-Y1) data by matching it with the Sunyaev–Zel’dovich effect (SZE) selected cluster catalogue from the South Pole Telescope SPT-SZ survey. Of the 1005 redMaPPer selected clusters with measured richness $\hat{\lambda }\gt 40$ in the joint footprint, 207 are confirmed by SPT-SZ. Using the mass information from the SZE signal, we calibrate the richness–mass relation using a Bayesian cluster population model. We find a mass trend λ ∝ MB consistent with a linear relation (B ∼ 1), no significant redshift evolution and an intrinsic scatter in richness of σλ = 0.22 ± 0.06. By considering two error models, we explore the impact of projection effects on the richness–mass modelling, confirming that such effects are not detectable at the current level of systematic uncertainties. At low richness SPT-SZ confirms fewer redMaPPer clusters than expected. We interpret this richness dependent deficit in confirmed systems as due to the increased presence at low richness of low-mass objects not correctly accounted for by our richness-mass scatter model, which we call contaminants. At a richness $\hat{\lambda }=40$, this population makes up ${\gt}12{{\ \rm per\ cent}}$ (97.5 percentile) of the total population. Extrapolating this to a measured richness $\hat{\lambda }=20$ yields ${\gt}22{{\ \rm per\ cent}}$ (97.5 percentile). With these contamination fractions, the predicted redMaPPer number counts in different plausible cosmologies are compatible with the measured abundance. The presence of such a population is also a plausible explanation for the different mass trends (B ∼ 0.75) obtained from mass calibration using purely optically selected clusters. The mean mass from stacked weak lensing (WL) measurements suggests that these low-mass contaminants are galaxy groups with masses ∼3–5 × 1013 M⊙ which are beyond the sensitivity of current SZE and X-ray surveys but a natural target for SPT-3G and eROSITA.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Young Massive Star Cluster Westerlund 2 Observed with MUSE. III. A Cluster in Motion—The Complex Internal Dynamics

Analyzing the dynamical state of nearby young massive star clusters is essential for understanding star cluster formation and evolution during their earliest stages. In this work we analyze the stellar and gas kinematics of the young massive star cluster Westerlund 2 (Wd2) using data from the integral field unit Multi Unit Spectroscopic Explorer (MUSE) and complement them with proper motions from the Gaia DR2. The mean gas radial velocity of 15.9 km s{sup −1} agrees with the assumption that Wd2 is the result of a cloud–cloud collision. The gas motions show the expansion of the H ii region, driven by the radiation from the many OB stars in the cluster center. The velocity profile of the cluster member stars reveals an increasing velocity dispersion with decreasing stellar mass and that the low-mass stars show five distinct velocity groups. Based on their spatial correlation with the cluster’s two clumps, we concluded that this is the imprint of the initial cloud collapse that formed Wd2. A thorough analysis of the dynamical state of Wd2, which determines a dynamical mass range of M {sub dyn,Wd2} = (7.5 ± 1.9) × 10{sup 4} − (4.4 ± 1.1) × 10{sup 5} M {sub ⊙} and exceeds the photometric mass by at least a factor of two, leads to the conclusion that Wd2 is not massive enough to remain gravitationally bound. Additionally we also identify 22 runaway candidates with peculiar velocities between 30 and 546 km s{sup −1}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗