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At least 37 records · Page 2

Probing the early stages of salt nucleation—Experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions

Due to the fast solvent evaporation in electrospray ionization (ESI), the concentration of initially dilute electrolyte solutions rapidly increases to afford the formation of supersaturated droplets and generation of various pristine anhydrous salt clusters in the gas phase. The size, composition, and charge distributions of these clusters, in principle, witness the nucleation evolution in solutions. Herein, we report a microscopic study on the initial stage of nucleation and crystallization of sodium/potassium thiocyanate salt solutions simulated in the ESI process. Singly charged M{sub x}(SCN){sub x+1}{sup −}, doubly charged M{sub y}(SCN){sub y+2}{sup 2−} (M = Na, K), and triply charged K{sub z}(SCN){sub z+3}{sup 3−} anion clusters (x, y, and z stand for the number of alkali atoms in the singly, doubly, and triply charged clusters, respectively) were produced via electrospray of the corresponding salt solutions and were characterized by negative ion photoelectron spectroscopy (NIPES). The vertical detachment energies (VDEs) of these sodium/potassium thiocyanate cluster anions were obtained, and theoretical calculations were carried out for the sodium thiocyanate clusters in assisting spectral identification. The measured VDEs of singly charged anions M{sub x}(SCN){sub x+1}{sup −} (M = Na and K) demonstrate that they are superhalogen anions. The existence of doubly charged anions M{sub y}(SCN){sub y+2}{sup 2−} (y = 2x, x ≥ 4 and 3 for M = Na and K, respectively) and triply charged anions K{sub z}(SCN){sub z+3}{sup 3−} (z = 3x, x ≥ 6) was initially discovered from the photoelectron spectra for those singly charged anions of M{sub x}(SCN){sub x+1}{sup −} with the same mass-to-charge ratio (m/z), and later independently confirmed by the observation of their distinct mass spectral distributions and by taking their NIPE spectra for those pure multiply charged anions with their m/z different from the singly charged species. For large clusters, multiply charged clusters were found to become preferred, but at higher temperatures, those multiply charged clusters were suppressed. The series of anion clusters investigated here range from molecular-like M{sub 1}(SCN){sub 2}{sup −} to nano-sized K{sub 22}(SCN){sub 25}{sup 3−}, providing a vivid molecular-level growth pattern reflecting the initial salt nucleation process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The HectoMAP Cluster Survey: Spectroscopically Identified Clusters and their Brightest Cluster Galaxies (BCGs)

We apply a friends-of-friends (FoF) algorithm to identify galaxy clusters and we use the catalog to explore the evolutionary synergy between brightest cluster galaxies (BCGs) and their host clusters. We base the cluster catalog on the dense HectoMAP redshift survey (2000 redshifts deg -2 ). The HectoMAP FoF catalog includes 346 clusters with 10 or more spectroscopic members within the range 0.05 < z < 0.55 and with a median z = 0.29. We list these clusters and their members. We also include central velocity dispersions (σ*, BCG ) for the FoF cluster BCGs, a distinctive feature of the HectoMAP FoF catalog. HectoMAP clusters with higher galaxy number density (80 systems) are all genuine clusters with a strong concentration and a prominent BCG in Subaru/Hyper Suprime-Cam images. The phase-space diagrams show the expected elongation along the line of sight. Lower-density systems include some low reliability systems. We establish a connection between BCGs and their host clusters by demonstrating that σ*, BCG /σ cl decreases as a function of cluster velocity dispersion (σ cl ), in contrast, numerical simulations predict a constant σ*, BCG /σ cl . Sets of clusters at two different redshifts show that BCG evolution in massive systems is slow over the redshift range z < 0.4. The data strongly suggest that minor mergers may play an important role in BCG evolution in clusters with σ cl ≳ 300 km s -1 . For lower mass systems (σ cl < 300 km s -1 ), major mergers may play a significant role. The coordinated evolution of BCGs and their host clusters provides an interesting test of simulations in high-density regions of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗

The clustering of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey DR14 quasar sample: anisotropic clustering analysis in configuration space

We explore the cosmological implications of anisotropic clustering measurements of the quasar sample from Data Release 14 (DR14) of the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey (eBOSS) in configuration space. The similar to 147000 quasar sample observed by eBOSS offers a direct tracer of the density field and bridges the gap of previous baryon acoustic oscillation measurements between redshift 0.8 < z < 2.2. By analysing the two-point correlation function characterized by clustering wedges xi(wi)(s) and multipolesi xi(l)(S), we measure the angular diameter distance, Hubble parameter, and cosmic structure growth rate. We define a systematic error budget for our measurements based on the analysis of N-body simulations and mock catalogues. Based on the DR14 large-scale structure quasar sample at the effective redshift z(eff) = 1.52, we find the growth rate of cosmic structure f sigma(8)(z(eff)) = 0.396 +/- 0.079, and the geometric parameters Dv(z)/r(d) = 26.47 +/- 1.23, and F-AP(Z) = 2.53 +/- 0.22, where the uncertainties include both statistical and systematic errors. These values are in excellent agreement with the best-fitting standard A cold dark matter model to the latest cosmic microwave background data from Planck.

cosmology↗

Three-cluster dynamics within the ab initio no-core shell model with continuum: How many-body correlations and α clustering shape He 6 [Three-Cluster Dynamics Within The Ab Initio No-Core Shell Model With Continuum: How Many-Body Correlations And Alpha-Clustering Shape 6He]

We realize the treatment of bound and continuum nuclear systems in the proximity of a three-body breakup threshold within the ab initio framework of the no-core shell model with continuum. Many-body eigenstates obtained from the diagonalization of the Hamiltonian within the harmonic-oscillator expansion of the no-core shell model are coupled with continuous microscopic three-cluster states to correctly describe the nuclear wave function both in the interior and asymptotic regions. We discuss the formalism in detail and give algebraic expressions for the case of core + n + n systems. Using similarity-renormalization-group evolved nucleon-nucleon interactions, we analyze the role of 4 He + n + n clustering and many-body correlations in the ground and low-lying continuum states of the Borromean 6 He nucleus, and study the dependence of the energy spectrum on the resolution scale of the interaction. We show that 6 He small binding energy and extended radii compatible with experiment can be obtained simultaneously, without resorting to extrapolations. Here, we also find that a significant portion of the ground-state energy and the narrow width of the first 2 + resonance stem from many-body correlations that can be interpreted as core-excitation effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Galaxies in X-Ray Selected Clusters and Groups in Dark Energy Survey Data. I. Stellar Mass Growth of Bright Central Galaxies Since z ~ 1.2

Using the science verification data of the Dark Energy Survey for a new sample of 106 X-ray selected clusters and groups, we study the stellar mass growth of bright central galaxies (BCGs) since redshift z ~ 1.2. Compared with the expectation in a semi-analytical model applied to the Millennium Simulation, the observed BCGs become under-massive/under-luminous with decreasing redshift. Here, we incorporate the uncertainties associated with cluster mass, redshift, and BCG stellar mass measurements into an analysis of a redshift-dependent BCG-cluster mass relation, $m_*$ $∝ \huge{(}$$\frac{M_{200}}{1.5x10^{14}M_⊙}\huge{)}$$^{0.24±0.08}$ $(1 + z)$$^{-0.19±0.34}$, and compare the observed relation to the model prediction. We estimate the average growth rate since z = 1.0 for BCGs hosted by clusters of M 200,z = 10 13.8 M ⊙ ; at z = 1.0: m * , BCG appears to have grown by 0.13 ± 0.11 dex, in tension at the ~2.5σ significance level with the 0.40 dex growth rate expected from the semi-analytic model. We show that the build-up of extended intracluster light after z = 1.0 may alleviate this tension in BCG growth rates.

79 ASTRONOMY AND ASTROPHYSICS↗

Preventive Power Outage Estimation Based on a Novel Scenario Clustering Strategy

The increasing occurrence of extreme weather events is challenging power grid operation. For extreme weather events, the system operator is responsible for estimating the power outages and scheduling the restoration resources. This paper proposes an outage evaluation framework to identify the possible unserved load profiles, vulnerable areas, and mobile energy adequacy. The outputs of an outage prediction model tool are used to generate numerous faulted line scenarios. Next, each scenario's nodal unserved load profile is obtained by solving a three-phase restoration model that considers repair crews and mobile energy resources (MERs). Then, a novel scenario clustering strategy is developed to cluster the unserved load profiles into multiple representative profiles which the system operator can focus on. Finally, case studies on a distribution system evaluate the damage caused by an extreme weather event and verify the effectiveness of the proposed scenario clustering strategy.

MATHEMATICS AND COMPUTING,POWER TRANSMISSION AND D↗

A NEW MILKY WAY HALO STAR CLUSTER IN THE SOUTHERN GALACTIC SKY

We report on the discovery of a new Milky Way (MW) companion stellar system located at ({alpha}{sub J2000,}{delta}{sub J2000}) = (22{sup h}10{sup m}43{sup s}.15, 14 Degree-Sign 56 Prime 58 Double-Prime .8). The discovery was made using the eighth data release of SDSS after applying an automated method to search for overdensities in the Baryon Oscillation Spectroscopic Survey footprint. Follow-up observations were performed using Canada-France-Hawaii-Telescope/MegaCam, which reveal that this system is comprised of an old stellar population, located at a distance of 31.9{sup +1.0}{sub -1.6} kpc, with a half-light radius of r{sub h}= 7.24{sup +1.94}{sub -1.29} pc and a concentration parameter of c = log{sub 10}(r{sub t} /r{sub c} ) = 1.55. A systematic isochrone fit to its color-magnitude diagram resulted in log (age yr{sup -1}) = 10.07{sup +0.05}{sub -0.03} and [Fe/H] = -1.58{sup +0.08}{sub -0.13}. These quantities are typical of globular clusters in the MW halo. The newly found object is of low stellar mass, whose observed excess relative to the background is caused by 95 {+-} 6 stars. The direct integration of its background decontaminated luminosity function leads to an absolute magnitude of M{sub V} = -1.21 {+-} 0.66. The resulting surface brightness is {mu}{sub V} = 25.90 mag arcsec{sup -2}. Its position in the M{sub V} versus r{sub h} diagram lies close to AM4 and Koposov 1, which are identified as star clusters. The object is most likely a very faint star cluster-one of the faintest and lowest mass systems yet identified.

79 ASTRONOMY AND ASTROPHYSICS↗

The next generation Virgo cluster survey. VIII. The spatial distribution of globular clusters in the Virgo cluster

We report on a large-scale study of the distribution of globular clusters (GCs) throughout the Virgo cluster, based on photometry from the Next Generation Virgo Cluster Survey (NGVS), a large imaging survey covering Virgo's primary subclusters (Virgo A = M87 and Virgo B = M49) out to their virial radii. Using the g{sub o}{sup ′}, (g' – i') {sub o} color-magnitude diagram of unresolved and marginally resolved sources within the NGVS, we have constructed two-dimensional maps of the (irregular) GC distribution over 100 deg{sup 2} to a depth of g{sub o}{sup ′} = 24. We present the clearest evidence to date showing the difference in concentration between red and blue GCs over the full extent of the cluster, where the red (more metal-rich) GCs are largely located around the massive early-type galaxies in Virgo, while the blue (metal-poor) GCs have a much more extended spatial distribution with significant populations still present beyond 83' (∼215 kpc) along the major axes of both M49 and M87. A comparison of our GC maps to the diffuse light in the outermost regions of M49 and M87 show remarkable agreement in the shape, ellipticity, and boxiness of both luminous systems. We also find evidence for spatial enhancements of GCs surrounding M87 that may be indicative of recent interactions or an ongoing merger history. We compare the GC map to that of the locations of Virgo galaxies and the X-ray intracluster gas, and find generally good agreement between these various baryonic structures. We calculate the Virgo cluster contains a total population of N {sub GC} = 67, 300 ± 14, 400, of which 35% are located in M87 and M49 alone. For the first time, we compute a cluster-wide specific frequency S {sub N,} {sub CL} = 2.8 ± 0.7, after correcting for Virgo's diffuse light. We also find a GC-to-baryonic mass fraction ε {sub b} = 5.7 ± 1.1 × 10{sup –4} and a GC-to-total cluster mass formation efficiency ε {sub t} = 2.9 ± 0.5 × 10{sup –5}, the latter values slightly lower than but consistent with those derived for individual galactic halos. Taken as a whole, our results show that the production of the complex structures in the unrelaxed Virgo cluster core (including the production of the diffuse intracluster light) is an ongoing and continuing process.

79 ASTRONOMY AND ASTROPHYSICS↗

An X-ray survey of clusters of galaxies. IV - A survey of southern clusters and a compilation of upper limits for both Abell and southern clusters

The results of the HEAO 1 A-1 X-ray survey of galaxy clusters are reported. X-ray error boxes and intensities are presented for all clusters in the Abell catalog and for the catalog of southern clusters and groups compiled by Duus and Newell (1977). A correlation is derived on the basis of the X-ray luminosity function for 2-6 keV which may be used to calculate the contribution of clusters to the diffuse X-ray background at different energies. The cluster X-ray is estimated to be 9.3 percent (+ 1.9 or - 1.5 percent). Correlations between X-ray luminosity and other cluster properties are exmained, and it is found that the distribution of upper limits may be applied to obtaining a more precise estimate of the average X-ray luminosity of clusters. The Abell richness class and southern cluster concentrations were strongly correlated with X-ray luminosity. Correlations between optical x-ray luminosity and optical radius velocity dispersion, spiral fraction, and radio power are analyzed. The evidence for all these correlations was considered to be weak because of poor scatter in the data.

Kowalski, M. P.↗

Cluster-cluster clustering

The cluster correlation function xi sub c(r) is compared with the particle correlation function, xi(r) in cosmological N-body simulations with a wide range of initial conditions. The experiments include scale-free initial conditions, pancake models with a coherence length in the initial density field, and hybrid models. Three N-body techniques and two cluster-finding algorithms are used. In scale-free models with white noise initial conditions, xi sub c and xi are essentially identical. In scale-free models with more power on large scales, it is found that the amplitude of xi sub c increases with cluster richness; in this case the clusters give a biased estimate of the particle correlations. In the pancake and hybrid models (with n = 0 or 1), xi sub c is steeper than xi, but the cluster correlation length exceeds that of the points by less than a factor of 2, independent of cluster richness. Thus the high amplitude of xi sub c found in studies of rich clusters of galaxies is inconsistent with white noise and pancake models and may indicate a primordial fluctuation spectrum with substantial power on large scales.

Barnes, J.↗

Simulating star clusters with the AMUSE software framework. I. Dependence of cluster lifetimes on model assumptions and cluster dissolution modes

We perform a series of simulations of evolving star clusters using the Astrophysical Multipurpose Software Environment (AMUSE), a new community-based multi-physics simulation package, and compare our results to existing work. These simulations model a star cluster beginning with a King model distribution and a selection of power-law initial mass functions and contain a tidal cutoff. They are evolved using collisional stellar dynamics and include mass loss due to stellar evolution. After studying and understanding that the differences between AMUSE results and results from previous studies are understood, we explored the variation in cluster lifetimes due to the random realization noise introduced by transforming a King model to specific initial conditions. This random realization noise can affect the lifetime of a simulated star cluster by up to 30%. Two modes of star cluster dissolution were identified: a mass evolution curve that contains a runaway cluster dissolution with a sudden loss of mass, and a dissolution mode that does not contain this feature. We refer to these dissolution modes as 'dynamical' and 'relaxation' dominated, respectively. For Salpeter-like initial mass functions, we determined the boundary between these two modes in terms of the dynamical and relaxation timescales.

79 ASTRONOMY AND ASTROPHYSICS↗

The cluster compound In{sub 4}Ti{sub 1.5}Mo{sub 0.5}Mo{sub 14}O{sub 26} containing Mo{sub 14} clusters and the new mono- and bi-capped trioctahedral Mo{sub 15} and Mo{sub 16} clusters: Synthesis, crystal structure, and electrical and magnetic properties

Single crystals of the new quaternary compound In{sub 4}Ti{sub 1.5}Mo{sub 0.5}Mo{sub 14}O{sub 26} were obtained by solid state reaction. The crystal structure was determined by single-crystal X-ray diffraction. In{sub 4}Ti{sub 1.5}Mo{sub 0.5}Mo{sub 14}O{sub 26} crystallizes in the orthorhombic space group Pbca with unit-cell parameters a=9.4432(14) Å, b=11.4828(12) Å, c=20.299(4) Å and Z=4. Full-matrix least-squares refinement on F{sup 2} using 3807 independent reflections for 219 refinable parameters resulted in R{sub 1}=0.0259 and wR{sub 2}=0.0591. The crystal structure contains in addition to Mo{sub 14} clusters the first examples of mono- and bi-capped trioctahedral Mo{sub 14} i.e. Mo{sub 15} and Mo{sub 16} clusters. The oxygen framework derives from a stacking along the a direction of close-packed layers with sequence (…ABAC…). The Mo–Mo distances range between 2.6938(5) and 2.8420(6) Å and the Mo–O distances between 1.879(5) and 2.250(3) Å, as usually observed in molybdenum oxide clusters. The indium atoms form In{sub 4}{sup 6+} bent chains with In–In distances of 2.6682(5) and 2.6622(8) Å and the Ti atoms are in highly distorted octahedral sites of oxygen atoms with Ti–O distances ranging between 1.865(4) and 2.161(4) Å. Magnetic susceptibility measurements confirm the presence of Ti{sup 4+} cations and the absence of localized moments on the Mo network. Electrical resistivity measurements on a single crystal of In{sub 4}Ti{sub 1.5}Mo{sub 0.5}Mo{sub 14}O{sub 26} show a semimetallic behavior. - Graphical abstract: We present here the synthesis, the crystal structure, and the electrical and magnetic properties of the new compound In{sub 4}Ti{sub 1.5}Mo{sub 0.5}Mo{sub 14}O{sub 26} in which Mo{sub 14} clusters coexist statistically with mono- and bi-capped trioctahedral Mo{sub 14} that is Mo{sub 15} and Mo{sub 16} clusters. - Highlights: • Single crystals of In{sub 4}Ti{sub 1.5}Mo{sub 0.5}Mo{sub 14}O{sub 26} were obtained by solid state reaction. • The crystal structure contains Mo{sub 14}, Mo{sub 15} and Mo{sub 16} clusters. • The indium atoms form In{sub 4}{sup 6+} bent chains. • Poorly metallic behavior. • Absence of localized moments on the Mo network as well as on the Ti atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predictive coupled-cluster isomer orderings for some Si{sub n}C{sub m} (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

The accurate determination of the preferred Si{sub 12}C{sub 12} isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly efficient exciton materials for the opto-electronic devices. In order to definitively identify preferred isomeric structures for silicon carbon nano-clusters, highly accurate geometries, energies, and harmonic zero point energies have been computed using coupled-cluster theory with systematic extrapolation to the complete basis limit for set of silicon carbon clusters ranging in size from SiC{sub 3} to Si{sub 12}C{sub 12}. It is found that post-MBPT(2) correlation energy plays a significant role in obtaining converged relative isomer energies, suggesting that predictions using low rung density functional methods will not have adequate accuracy. Utilizing the best composite coupled-cluster energy that is still computationally feasible, entailing a 3-4 SCF and coupled-cluster theory with singles and doubles extrapolation with triple-ζ (T) correlation, the closo Si{sub 12}C{sub 12} isomer is identified to be the preferred isomer in the support of previous calculations [X. F. Duan and L. W. Burggraf, J. Chem. Phys. 142, 034303 (2015)]. Additionally we have investigated more pragmatic approaches to obtaining accurate silicon carbide isomer energies, including the use of frozen natural orbital coupled-cluster theory and several rungs of standard and double-hybrid density functional theory. Frozen natural orbitals as a way to compute post-MBPT(2) correlation energy are found to be an excellent balance between efficiency and accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultraviolet studies of O and B stars in the LMC cluster NGC 2100, the SMC cluster NGC 330 and the Galactic cluster NGC 6530

High-resolution and low-resolution IUE spectra of O and B stars in the LMC cluster NGC 2100, the SMC cluster NGC 330, and the young Galactic cluster NGC 6530 are investigated. Temperatures and luminosities are determined. In the LMC and SMC clusters, the most luminous stars are evolved stars on the horizontal supergiant branch, while in NGC 6530 the stars are all still on the main sequence. Extinction laws were determined. They confirm the known differences between LMC and Galactic extinctions. No mass loss was detected for the evolved B stars in the LMC and SMC clusters, while the high-luminosity stars in NGC 6530 show P Cygni profiles.

Boehm-Vitense, E.↗

Seniority-based coupled cluster theory

Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, the scaling of such calculations remains combinatorial with system size. Pair coupled cluster doubles (pCCD) is very successful in reproducing DOCI energetically, but can do so with low polynomial scaling (N{sup 3}, disregarding the two-electron integral transformation from atomic to molecular orbitals). We show here several examples illustrating the success of pCCD in reproducing both the DOCI energy and wave function and show how this success frequently comes about. What DOCI and pCCD lack are an effective treatment of dynamic correlations, which we here add by including higher-seniority cluster amplitudes which are excluded from pCCD. This frozen pair coupled cluster approach is comparable in cost to traditional closed-shell coupled cluster methods with results that are competitive for weakly correlated systems and often superior for the description of strongly correlated systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SPT clusters with DES and HST weak lensing. I. Cluster lensing and Bayesian population modeling of multiwavelength cluster datasets

We present a Bayesian population modeling method to analyze the abundance of galaxy clusters identified by the South Pole Telescope (SPT) with a simultaneous mass calibration using weak gravitational lensing data from the Dark Energy Survey (DES) and the Hubble Space Telescope (HST). We discuss and validate the modeling choices with a particular focus on a robust, weak-lensing-based mass calibration using DES data. For the DES Year 3 data, we report a systematic uncertainty in weak-lensing mass calibration that increases from 1% at z = 0.25 to 10% at z = 0.95 , to which we add 2% in quadrature to account for uncertainties in the impact of baryonic effects. We implement an analysis pipeline that joins the cluster abundance likelihood with a multiobservable likelihood for the Sunyaev-Zel’dovich effect, optical richness, and weak-lensing measurements for each individual cluster. We validate that our analysis pipeline can recover unbiased cosmological constraints by analyzing mocks that closely resemble the cluster sample extracted from the SPT-SZ, SPTpol ECS, and SPTpol 500d surveys and the DES Year 3 and HST-39 weak-lensing datasets. This work represents a crucial prerequisite for the subsequent cosmological analysis of the real dataset.

79 ASTRONOMY AND ASTROPHYSICS↗

Studies of the Virgo Cluster. II - A catalog of 2096 galaxies in the Virgo Cluster area. V - Luminosity functions of Virgo Cluster galaxies

The present catalog of 2096 galaxies within an area of about 140 sq deg approximately centered on the Virgo cluster should be an essentially complete listing of all certain and possible cluster members, independent of morphological type. Cluster membership is essentially decided by galaxy morphology; for giants and the rare class of high surface brightness dwarfs, membership rests on velocity data. While 1277 of the catalog entries are considered members of the Virgo cluster, 574 are possible members and 245 appear to be background Zwicky galaxies. Major-to-minor axis ratios are given for all galaxies brighter than B(T) = 18, as well as for many fainter ones.

Binggeli, B.↗