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DOE OSTI2019

Redox-Active 1D Coordination Polymers of Iron–Sulfur Clusters

Here we describe the combination of an archetypal redox-active metal sulfide cluster, Fe 4 S 4 , with an organic linker, 1,4-benzenedithiolate, to prepare coordination polymers containing infinite chains of Fe 4 S 4 clusters. The crystal structures of two solid materials have been solved from synchrotron X-ray powder diffraction data using simulated annealing and re-fined by a least-squares Rietveld refinement procedure. The electronic properties of these chains have also been characterized by UV-visible and Mössbauer spectroscopies. Additional experiments demonstrated that these chains can be solubilized by variation of the countercation and that the chain structure is maintained in solution. The redox-activity of the Fe 4 S 4 clusters can be accessed with chemical reagents. Introduction of charge carriers by reduction of the Fe 4 S 4 clusters is found to increase the electrical conductivity of the materials by up to four orders of magnitude. These results highlight the utility of Fe 4 S 4 clusters as redox-active building blocks in preparing new classes of coordination polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The XMM cluster survey: exploring scaling relations and completeness of the dark energy survey year 3 redMaPPer cluster catalogue

ABSTRACT We cross-match and compare characteristics of galaxy clusters identified in observations from two sky surveys using two completely different techniques. One sample is optically selected from the analysis of 3 years of Dark Energy Survey observations using the redMaPPer cluster detection algorithm. The second is X-ray selected from XMM observations analysed by the XMM Cluster Survey. The samples comprise a total area of 57.4 deg2, bounded by the area of four contiguous XMM survey regions that overlap the DES footprint. We find that the X-ray-selected sample is fully matched with entries in the redMaPPer catalogue, above λ > 20 and within 0.1 <$z$ <0.9. Conversely, only 38 per cent of the redMaPPer catalogue is matched to an X-ray extended source. Next, using 120 optically clusters and 184 X-ray-selected clusters, we investigate the form of the X-ray luminosity–temperature (LX –TX ), luminosity–richness (LX –λ), and temperature–richness (TX –λ) scaling relations. We find that the fitted forms of the LX –TX relations are consistent between the two selection methods and also with other studies in the literature. However, we find tentative evidence for a steepening of the slope of the relation for low richness systems in the X-ray-selected sample. When considering the scaling of richness with X-ray properties, we again find consistency in the relations (i.e. LX –λ and TX –λ) between the optical and X-ray-selected samples. This is contrary to previous similar works that find a significant increase in the scatter of the luminosity scaling relation for X-ray-selected samples compared to optically selected samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Mass Calibration of Optically Selected DES Clusters Using a Measurement of CMB-cluster Lensing with SPTpol Data

We use cosmic microwave background (CMB) temperature maps from the 500 deg$^{2}$ SPTpol survey to measure the stacked lensing convergence of galaxy clusters from the Dark Energy Survey (DES) Year-3 redMaPPer (RM) cluster catalog. The lensing signal is extracted through a modified quadratic estimator designed to be unbiased by the thermal Sunyaev-Zel{'}dovich (tSZ) effect. The modified estimator uses a tSZ-free map, constructed from the SPTpol 95 and 150 GHz datasets, to estimate the background CMB gradient. For lensing reconstruction, we employ two versions of the RM catalog: a flux-limited sample containing 4003 clusters and a volume-limited sample with 1741 clusters. We detect lensing at a significance of 8.7$\sigma$(6.7$\sigma$) with the flux(volume)-limited sample. By modeling the reconstructed convergence using the Navarro-Frenk-White profile, we find the average lensing masses to be $M_{200m}$ = ($1.62^{+0.32}_{-0.25}$ [stat.] $\pm$ 0.04 [sys.]) and ($1.28^{+0.14}_{-0.18}$ [stat.] $\pm$ 0.03 [sys.]) $\times\ 10^{14}\ M_{\odot}$ for the volume- and flux-limited samples respectively. The systematic error budget is much smaller than the statistical uncertainty and is dominated by the uncertainties in the RM cluster centroids. We use the volume-limited sample to calibrate the normalization of the mass-richness scaling relation, and find a result consistent with the galaxy weak-lensing measurements from DES.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Anthropogenic extremely low volatility organics (ELVOCs) Govern the Growth of Molecular Clusters over the Southern Great Plains during the Springtime

New particle formation (NPF) and growth govern cloud condensation nuclei (CCN) concentrations in many regions. The mechanisms governing the nucleation of molecular clusters vary substantially in different regions of the atmosphere. Additionally, the growth of these clusters from ~2 to 20 nm sizes is often governed by the availability of extremely low volatility organic vapours (ELVOCs). While the pathways to ELVOC formation from the oxidation of biogenic monoterpenes with ozone is better understood, the chemical and mechanistic pathways for ELVOC formation from oxidation of anthropogenic organics are not well understood. We integrate measurements and three-dimensional regional model simulations with the Weather Research and Forecasting Model coupled to chemistry (WRF-Chem) to understand the processes governing new particle formation and growth and secondary organic aerosol (SOA) formation during the Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems (HI-SCALE) field campaign at the Southern Great Plains (SGP) observatory in Oklahoma, and contrast it with a site within the Bankhead National Forest (BNF), Alabama in Southeast USA, where 5-year long measurements will begin in 2024. Simulations show that nucleation rates are at least an order of magnitude higher at SGP compared to BNF during the springtime days (April 28 and May 14, 2016), largely due to lower H2SO4 concentrations at BNF, which are needed for nucleation. In addition, the larger CS at BNF (compared to SGP) increase the loss of molecular clusters by coagulation to pre-existing particles. Among the 8 different nucleation mechanisms in WRF-Chem, we find that the amine+H2SO4 nucleation mechanism dominates at the SGP site, while the pure organic ion induced nucleation mechanism dominates over BNF. Through various WRF-Chem sensitivity simulations, we find that anthropogenic ELVOCs are critical for explaining the growth of newly formed particles and the resulting number size distribution observed near the surface at the SGP site during the daytime. In addition, we show that treating organic particles as semisolid, with strong diffusion-limited uptake of organic vapours, brings model predictions into closer agreement with the observed evolution of particle size distribution. Simulations also predict that anthropogenic SOA, formed by the oxidation of aromatic volatile organic compounds (VOCs), is the dominant organic aerosol component at SGP, while biogenic SOA dominates particle composition at the BNF site in Southeast USA on these days.

Shrivastava, ManishKumar B.↗
DOE OSTI2020

Determinants for proton location and electron coupled proton transfer in hydrogen bonded pentafluorophenol-anion clusters

This work aims to reveal the determinant factors for proton locations and electron coupled proton transfer (ECPT) in biologically relevant hydrogen bonded systems. Pentafluorophenol-anion clusters [C6F5O-•H+•A-]- are chosen to model active sites of biological functions, with the anion A- being systematically varied to ensure the proton affinities (PAs) of the anions well cover the referenced PA of C6F5O- from being appreciably smaller, similar, and to significantly larger. Negative ion photoelectron spectroscopy of these clusters provides spectroscopic evidence showing that proton location in the anionic state is largely following the PA prediction, while ECPT is observed only for the clusters with the anion possessing the electron binding energy (EBE) significantly larger than that of the referenced C6F5O-. Theoretical calculations suggest these clusters are stabilized by forming single strong hydrogen bond between donor and acceptor, and the associated charge and MO analyses fully support the experimental observations. The current holistic cluster model study indicates that PA is the right determinant that can be used to predict the proton location and describe hydrogen bonding structures, while both PA and EBE of anionic groups play important roles in facilitating ECPT process. This work was supported by U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Science, Geosciences, and Biosciences (X.-B.W.), and performed using EMSL, a national scientific user facility sponsored by DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. Part of this work was supported by the National Natural Science Foundation of China (No-11604046 for JZ; No. 11727810 for ZRS), as well as “Chenguang Program” by Shanghai Education Development Foundation, Shanghai Municipal Education Commission (No. 16CG38) and Natural Science Foundation of Shanghai (No. 16ZR1448100) (JZ).

Zhang, Jian↗
DOE OSTI2021

Constraints on f ( R ) and normal-branch Dvali-Gabadadze-Porrati modified gravity model parameters with cluster abundances and galaxy clustering

In this report we present forecasted cosmological constraints from combined measurements of galaxy cluster abundances from the Simons Observatory and galaxy clustering from a DESI-like experiment on two well-studied modified gravity models, the chameleon-screened Hu-Sawicki f(R) model and the nDGP braneworld Vainshtein model. A Fisher analysis is conducted using σ 8 constraints derived from thermal Sunyaev-Zel’dovich (tSZ) selected galaxy clusters as well as linear and quasilinear redshift-space 2-point galaxy correlation functions. We find that the cluster abundances drive the constraints on the nDGP model while f(R) constraints are led by galaxy clustering. The two tracers of the cosmological gravitational field are found to be complementary, and their combination significantly improves constraints on the f(R) in particular in comparison to each individual tracer alone. For a model of f(R) with a general relativity (GR) fiducial case (f R0 = 0), we find a 2-σ upper limit of f R0 ≤ 5.68 x10 -7 . For the well-studied log-based fiducial parameter value in f(R), log 10 (f R0 ) = -5, paired with the parameter value n = 1, we find combined 1-σ constraints of σ(log 10 (f R0 )) = 0.12 and σ(n) = 0.36. For the nDGP model with fiducial n nDGP = 1 we find σ( n nDGP ) = 0.087. Our results present the exciting potential to utilize upcoming galaxy and CMB survey data available in the near future to discern and/or constrain cosmic deviations from GR.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

The Ophiuchus cluster - A bright X-ray cluster of galaxies at low galactic latitude

The discovery of an extended X-ray source identified with a cluster of galaxies at low galactic latitude is reported. The source, designated the Ophiuchus cluster, was detected near 4U 1708-23 with the HEAO 1 Scanning Modulation Collimator, and identified with the cluster on the basis of extended X-ray size and positional coincidence on the ESO/SRC (J) plate of the region. An X-ray flux density in the region 2-10 keV of approximately 25 microJ was measured, along with an X-ray luminosity of 1.6 x 10 to the 45th ergs/sec and an X-ray core radius of approximately 4 arcmin (0.2 Mpc) for an assumed isothermal sphere surface brightness distribution. The X-ray spectrum in the range 2-10 keV obtained with the HEAO 1 A-2 instrument is well fit by a thermal bremsstrahlung model with kT = 8 keV and a 6.7-keV iron line of equivalent width 450 eV. The steep-spectrum radio source MSH 17-203 also appears to be associated with the cluster, which is the closest and brightest representative of the class of X-ray clusters with a dominant central galaxy.

Johnston, M. D.↗
NASA NTRS1981

The X-ray structure of a galaxy cluster at z = 0.54 - Implications for cluster evolution and cosmology

High-resolution X-ray observations of the rich cluster 0016+16 at a redshift of 0.541 are presented. The emitting gas in this cluster is hot and extremely luminous, and its structure resembles that seen in the brightest nearby cluster sources. In most of its properties, 0016+16 resembles a richer version of the Coma cluster, and it offers little support to the hypothesis that clusters at z greater than 0.5 differ fundamentally from nearer objects.

White, S. D. M.↗
NASA NTRS1983

A nonparametric clustering technique which estimates the number of clusters

In applications of cluster analysis, one usually needs to determine the number of clusters, K, and the assignment of observations to each cluster. A clustering technique based on recursive application of a multivariate test of bimodality which automatically estimates both K and the cluster assignments is presented.

Ramey, D. B.↗
NASA NTRS1983

CCD photometry of Abell clusters. I - Magnitudes and redshifts for 84 brightest cluster galaxies

The way in which the luminosity of brightest cluster galaxy varies with cluster parameters is investigated in a sample of 84 Abell clusters of moderate redshift and of richness classes in the zero-to-5 range. A photometric system is used which is well matched with the low noise CCD detector employed, as well as to the arrangement of galaxies with different redshifts on a standard system. The data, together with measurements from earlier work which forms a low redshift sample of the 199 brightest cluster galaxies, confirm that the luminosity dispersion in first-rank cluster galaxies is about 0.34 mag. The colors of giant ellipticals have not changed since redshifts of 0.25, and the richness correction is well established at 0.10 mag/Abell richness class. Application of these corrections reduces the luminosity dispersion to 0.29 mag.

Schneider, D. P.↗
NASA NTRS1985

CCD observations of Abell clusters. IV - Surface photometry of 175 brightest cluster galaxies

The present data from a consistent body of CCD aperture and surface photometry for the brightest galaxies in 175 clusters from the Abell catalog confirm the dispersion in the aperture luminosities for first-ranked cluster galaxies of about 0.32 mag, as well as the documented trends of luminosity with Bautz-Morgan class and cluster richness. Half of these objects are multiple-nucleus systems; multiplicity is not strongly correlated with cluster morphology or richness, and the fraction of multiples is 2-10 times higher than would be produced by random projection in the cores of Hubble-law clusters. The average distance of the secondary nuclei from the luminosity center of the galaxy is significantly less than the value expected from random projections.

Hoessel, J. G.↗
NASA NTRS1988

Population studies in groups and clusters of galaxies. I - The luminosity function of galaxies in the Fornax Cluster

The luminosity functions of galaxies of various Hubble types in the central 2.4-deg-radius core of the Fornax Cluster and the 6-deg-radius core of the Virgo Cluster have been compared. Although properties such as density, velocity dispersion, and X-ray luminosity differ in the two clusters, no significant differences are noted in their luminosity functions or in their morphological mix of galaxies. The ratio of the distances to the Fornax and Virgo clusters has been obtained. Evidence is provided for a radial variation in the luminosity function of dwarf ellipticals in the two clusters.

Ferguson, Henry C.↗
NASA NTRS1988

Color gradients in cooling flow cluster central galaxies and the ionization of cluster emission line systems

Preliminary results are given for a program to measure color gradients in the central galaxies in clusters with a variety of cooling flow rates. The objectives are to search for extended blue continuum regions indicative of star formation, to study the spatial distribution of star formation, and to make a quantitative measure of the amount of light from young stars, which can lead to a measure of the star formation rate (for an assumed initial mass function). Four clusters with large masses and large cluster H-alpha emission fluxes are found to have an excess of blue light concentrated to the centers of the cluster central galaxy. Assumption of a disk IMF leads to the conclusion that the starlight might play a major role in ionizing the emission line gas in these clusters.

Romanishin, W.↗
NASA NTRS1989

Population studies in groups and clusters of galaxies. II - A catalog of galaxies in the central 3.5 deg of the Fornax Cluster

A catalog of 2678 galaxies within an area of about 40 sq deg centered on the Fornax Cluster has been compiled based on 26 deep large-scale plates obtained with the 2.5-m Las Campanas Observatory reflector. The catalog includes 340 likely cluster members and 2338 likely background galaxies. Radial velocities are given for 89 of the galaxies. The spatial distributions of various types of galaxies have been modeled as the sum of a King (1962) model cluster component superimposed on a uniform background. Using maximum-likelihood fits to these distributions, a core radius of 0.7 deg is found for a King model fit to the cluster, suggesting that there are few cluster members contained in the sample of background galaxies.

Ferguson, Henry C.↗
NASA NTRS1993

A comparison of the near-infrared spectral features of early-type galaxies in the Coma Cluster, the Virgo cluster and the field

Earlier researchers derived the relative distance between the Coma and Virgo clusters from color-magnitude relations of the early-type galaxies in each cluster. They found that the derived distance was color-dependent and concluded that the galaxies of similar luminosity in the two clusters differ in their red stellar populations. More recently, the color-dependence of the Coma-Virgo distance modulus has been called into question. However, because these two clusters differ so dramatically in their morphologies and kinematics, it is plausible that the star formation histories of the member galaxies also differed. If the conclusions of earlier researchers are indeed correct, then some signature of the resulting stellar population differences should appear in the near-infrared and/or infrared light of the respective galaxies. We have collected near-infrared spectra of 17 Virgo and 10 Coma early-type galaxies; this sample spans about four magnitudes in luminosity in each cluster. Seven field E/S0 galaxies have been observed for comparison. Pseudo-equivalent widths have been measured for all of the field galaxies, all but one of the Virgo members, and five of the Coma galaxies. The features examined are sensitive to the temperature, metallicity, and surface gravity of the reddest stars. A preliminary analysis of these spectral features has been performed, and, with a few notable exceptions, the measured pseudo-equivalent widths agree well with previously published values.

Houdashelt, Mark L.↗
NASA NTRS1998

WFPC2 Observations of Star Clusters in the Magellanic Clouds: The Oldest Star Clusters in the Small Magellanic Cloud - Report 2

We present our analysis of archival Hubble Space Telescope Wide Field Planetary Camera 2 (WFPC2) observations in F45OW ( approximately B) and F555W (approximately V) of the intermediate-age populous star clusters NGC 121, NGC 339, NGC 361, NGC 416, and Kron 3 in the Small Magellanic Cloud. We use published photometry of two other SMC populous star clusters, Lindsay 1 and Lindsay 113, to investigate the age sequence of these seven populous star clusters in order to improve our understanding of the formation chronology of the SMC. We analyzed the V vs B-V and M(sub V) vs (B-V)(sub 0) color-magnitude diagrams of these populous Small Magellanic Cloud star clusters using a variety of techniques and determined their ages, metallicities, and reddenings. These new data enable us to improve the age-metallicity relation of star clusters in the Small Magellanic Cloud. In particular, we find that a closed-box continuous star-formation model does not reproduce the age-metallicity relation adequately. However, a theoretical model punctuated by bursts of star formation is in better agreement with the observational data presented herein.

Mighell, Kenneth J.↗
NASA NTRS2003

Galaxy Populations and Evolution in Clusters IV Deep H 1 Observations of Dwarf Elliptical Galaxies in the Virgo Cluster

In this paper we present deep Arecibo H I and WIYN optical observations of Virgo Cluster dwarf elliptical galaxies. Based on this data we argue that a significant fraction of low-mass galaxies in the Virgo Cluster recently underwent evolution. Our new observations consist of H I 21 cm line observations for 22 classified dE galaxies with optical radial velocities consistent with membership in the Virgo Cluster. Cluster members VCC 390 and VCC 1713 are detected with H 1 masses M H1= 6 x 10 sup 7 and 8 x 10 sup 7 M , respectively, while MH I values in the remaining 20 dE galaxies have upper limits as low as about 5 x 1O sup 5 M. We combine our results with those for 26 other Virgo Cluster dE galaxies with H 1 observations in the literature, seven of which have H I detection claims.

Conselice, Christopher J.↗