Studies of the Virgo cluster. VI - Morphological and kinematical structure of the Virgo cluster

NASA Technical Reports Server (NTRS)

Binggeli, Bruno; Tammann, G. A.; Sandage, Allan

1987-01-01

The structure of the Virgo cluster is analyzed on the basis of the positions, Hubble types, and radial velocities of 1277 Virgo cluster galaxies. The surface distribution of galaxies is considered according to type, and is discussed using maps, isopleths, strip counts, and radial-density distributions. It is found that the Virgo cluster shows pronounced double structure. The main concentration has a large velocity dispersion and is made up predominantly of early-type galaxies, while the secondary concentration has a much smaller velocity dispersion and contains late types. There is a strong spatial segregation of the Hubble types, the early-type galaxies being more concentrated toward the cluster center. There is significant substructure in the cluster core. The irregularity of the Virgo cluster in both configuration and velocity space shows that the core and the envelope are still forming, and hence that the cluster is young.

Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mössbauer and EPR spectroscopy

PubMed Central

Pandelia, Maria-Eirini; Bykov, Dmytro; Izsak, Robert; Infossi, Pascale; Giudici-Orticoni, Marie-Thérèse; Bill, Eckhard; Neese, Frank; Lubitz, Wolfgang

2013-01-01

Iron–sulfur clusters are ubiquitous electron transfer cofactors in hydrogenases. Their types and redox properties are important for H2 catalysis, but, recently, their role in a protection mechanism against oxidative inactivation has also been recognized for a [4Fe-3S] cluster in O2-tolerant group 1 [NiFe] hydrogenases. This cluster, which is uniquely coordinated by six cysteines, is situated in the proximity of the catalytic [NiFe] site and exhibits unusual redox versatility. The [4Fe-3S] cluster in hydrogenase (Hase) I from Aquifex aeolicus performs two redox transitions within a very small potential range, forming a superoxidized state above +200 mV vs. standard hydrogen electrode (SHE). Crystallographic data has revealed that this state is stabilized by the coordination of one of the iron atoms to a backbone nitrogen. Thus, the proximal [4Fe-3S] cluster undergoes redox-dependent changes to serve multiple purposes beyond classical electron transfer. In this paper, we present field-dependent 57Fe-Mössbauer and EPR data for Hase I, which, in conjunction with spectroscopically calibrated density functional theory (DFT) calculations, reveal the distribution of Fe valences and spin-coupling schemes for the iron–sulfur clusters. The data demonstrate that the electronic structure of the [4Fe-3S] core in its three oxidation states closely resembles that of corresponding conventional [4Fe-4S] cubanes, albeit with distinct differences for some individual iron sites. The medial and distal iron–sulfur clusters have similar electronic properties as the corresponding cofactors in standard hydrogenases, although their redox potentials are higher. PMID:23267108

Motif-independent prediction of a secondary metabolism gene cluster using comparative genomics: application to sequenced genomes of Aspergillus and ten other filamentous fungal species.

PubMed

Takeda, Itaru; Umemura, Myco; Koike, Hideaki; Asai, Kiyoshi; Machida, Masayuki

2014-08-01

Despite their biological importance, a significant number of genes for secondary metabolite biosynthesis (SMB) remain undetected due largely to the fact that they are highly diverse and are not expressed under a variety of cultivation conditions. Several software tools including SMURF and antiSMASH have been developed to predict fungal SMB gene clusters by finding core genes encoding polyketide synthase, nonribosomal peptide synthetase and dimethylallyltryptophan synthase as well as several others typically present in the cluster. In this work, we have devised a novel comparative genomics method to identify SMB gene clusters that is independent of motif information of the known SMB genes. The method detects SMB gene clusters by searching for a similar order of genes and their presence in nonsyntenic blocks. With this method, we were able to identify many known SMB gene clusters with the core genes in the genomic sequences of 10 filamentous fungi. Furthermore, we have also detected SMB gene clusters without core genes, including the kojic acid biosynthesis gene cluster of Aspergillus oryzae. By varying the detection parameters of the method, a significant difference in the sequence characteristics was detected between the genes residing inside the clusters and those outside the clusters. © The Author 2014. Published by Oxford University Press on behalf of Kazusa DNA Research Institute.

Nonthermal emission from clusters of galaxies

NASA Astrophysics Data System (ADS)

Kushnir, Doron; Waxman, Eli

2009-08-01

We show that the spectral and radial distribution of the nonthermal emission of massive, M gtrsim 1014.5Msun, galaxy clusters may be approximately described by simple analytic expressions, which depend on the cluster thermal X-ray properties and on two model parameter, βcore and ηe. βcore is the ratio of the cosmic-ray (CR) energy density (within a logarithmic CR energy interval) and the thermal energy density at the cluster core, and ηe(p) is the fraction of the thermal energy generated in strong collisionless shocks, which is deposited in CR electrons (protons). Using a simple analytic model for the evolution of intra-cluster medium CRs, which are produced by accretion shocks, we find that βcore simeq ηp/200, nearly independent of cluster mass and with a scatter Δln βcore simeq 1 between clusters of given mass. We show that the hard X-ray (HXR) and γ-ray luminosities produced by inverse Compton scattering of CMB photons by electrons accelerated in accretion shocks (primary electrons) exceed the luminosities produced by secondary particles (generated in hadronic interactions within the cluster) by factors simeq 500(ηe/ηp)(T/10 keV)-1/2 and simeq 150(ηe/ηp)(T/10 keV)-1/2 respectively, where T is the cluster temperature. Secondary particle emission may dominate at the radio and very high energy (gtrsim 1 TeV) γ-ray bands. Our model predicts, in contrast with some earlier work, that the HXR and γ-ray emission from clusters of galaxies are extended, since the emission is dominated at these energies by primary (rather than by secondary) electrons. Our predictions are consistent with the observed nonthermal emission of the Coma cluster for ηp ~ ηe ~ 0.1. The implications of our predictions to future HXR observations (e.g. by NuStar, Simbol-X) and to (space/ground based) γ-ray observations (e.g. by Fermi, HESS, MAGIC, VERITAS) are discussed. In particular, we identify the clusters which are the best candidates for detection in γ-rays. Finally, we show that our model's results agree with results of detailed numerical calculations, and that discrepancies between the results of various numerical simulations (and between such results and our model) are due to inaccuracies in the numerical calculations.

Approximate solution of coupled cluster equations: application to the coupled cluster doubles method and non-covalent interacting systems.

PubMed

Smiga, Szymon; Fabiano, Eduardo

2017-11-15

We have developed a simplified coupled cluster (SCC) methodology, using the basic idea of scaled MP2 methods. The scheme has been applied to the coupled cluster double equations and implemented in three different non-iterative variants. This new method (especially the SCCD[3] variant, which utilizes a spin-resolved formalism) has been found to be very efficient and to yield an accurate approximation of the reference CCD results for both total and interaction energies of different atoms and molecules. Furthermore, we demonstrate that the equations determining the scaling coefficients for the SCCD[3] approach can generate non-empirical SCS-MP2 scaling coefficients which are in good agreement with previous theoretical investigations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDonald, Michael; Bautz, Marshall W.; Swinbank, Mark

We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (∼800 M {sub ☉} yr{sup –1}) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L {sub Hα} =more » 7.6 ± 0.4 ×10{sup 43} erg s{sup –1}, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM ≳ 500 km s{sup –1}), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M{sub H{sub 2}} = 2.2 ± 0.6 × 10{sup 10} M {sub ☉}, which implies that the starburst will consume its fuel in ∼30 Myr if it is not replenished. The L {sub IR}/M{sub H{sub 2}} that we measure for this cluster is consistent with the starburst limit of 500 L {sub ☉}/M {sub ☉}, above which radiation pressure is able to disperse the cold reservoir. The combination of the high level of turbulence in the warm phase and the high L {sub IR}/M{sub H{sub 2}} ratio suggests that this violent starburst may be in the process of quenching itself. We propose that phases of rapid star formation may be common in the cores of galaxy clusters, but so short-lived that their signatures are quickly erased and appear only in a subsample of the most strongly cooling clusters.« less

Evaluating genetic diversity and constructing core collections of Chinese Lentinula edodes cultivars using ISSR and SRAP markers.

PubMed

Liu, Jun; Wang, Zhuo-Ren; Li, Chuang; Bian, Yin-Bing; Xiao, Yang

2015-06-01

Genetic diversity among 89 Chinese Lentinula edodes cultivars was analyzed by inter-simple sequence repeat (ISSR) and sequence-related amplified polymorphism (SRAP) markers. A 123 out of 126 ISSR loci (97.62%) and 108 out of 129 SRAP loci (83.73%) were polymorphic between two or more strains. A dendrogram constructed by cluster analysis based on the ISSR and SRAP markers separated the L. edodes strains into two major groups, of which group B was further divided into five subgroups. Clustering results also showed a positive correlation with the main agronomic traits of the strains, and that strains with similar traits clustered together into the same groups or subgroups in most cases. The average coefficient of pairwise genetic similarity was 0.820 (range: 0.576-0.988). Compared to the wild strains, Chinese L. edodes cultivars indicated a lower level of genetic diversity. Two preliminary core collections of L. edodes, Core1 and Core2, were established based on the ISSR and SRAP data, respectively. Core1 was constructed by the advanced M (maximization) strategy using the PowerCore version 1.0 software and contained 21 strains, whereas Core2 was created by the allele preferred sampling strategy using the cluster method and contained 18 strains. Both core collections were highly representative of the genetic diversity of the original germplasm, as confirmed by the values of Na (observed number of alleles), Ne (effective number of alleles), H (Nei's gene diversity) and I (Shannon's information index), as well as results of principal coordinate analysis. The loci retention ratio of Core1 (99.61%) was higher than that of Core2 (97.65%). Moreover, Core1 contained strains with more types of agronomic traits than those in Core2. This study builds the basis for further effective protection, management and use of L. edodes germplasm resource. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of cluster-shell competition and BCS-like pairing in 12C

NASA Astrophysics Data System (ADS)

Matsuno, H.; Itagaki, N.

2017-12-01

The antisymmetrized quasi-cluster model (AQCM) was proposed to describe α-cluster and jj-coupling shell models on the same footing. In this model, the cluster-shell transition is characterized by two parameters, R representing the distance between α clusters and Λ describing the breaking of α clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α-cluster model wave function. Not only the closure configurations of the major shells but also the subclosure configurations of the jj-coupling shell model can be described starting with the α-cluster model wave functions; however, the particle-hole excitations of single particles have not been fully established yet. In this study we show that the framework of AQCM can be extended even to the states with the character of single-particle excitations. For ^{12}C, two-particle-two-hole (2p2h) excitations from the subclosure configuration of 0p_{3/2} corresponding to a BCS-like pairing are described, and these shell model states are coupled with the three α-cluster model wave functions. The correlation energy from the optimal configuration can be estimated not only in the cluster part but also in the shell model part. We try to pave the way to establish a generalized description of the nuclear structure.

Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au 13 and heart-shaped Au 8 clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.

Two ultrasmall gold clusters, Au 13 and Au 8 , were identified as a distorted I h icosahedral Au 13 and edge-shared “core + 4 exo ” structure Au 8 S 2 cores, respectively. They showed interesting luminescence and electrochemical properties.

Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au 13 and heart-shaped Au 8 clusters

DOE PAGES

Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; ...

2018-01-01

Two ultrasmall gold clusters, Au 13 and Au 8 , were identified as a distorted I h icosahedral Au 13 and edge-shared “core + 4 exo ” structure Au 8 S 2 cores, respectively. They showed interesting luminescence and electrochemical properties.

CYGNUS A: Hot Spots, Bow Shocks, Core Emission, and Exclusion of Cluster Gas by Radio Lobes

NASA Technical Reports Server (NTRS)

Harris, Daniel E.

1999-01-01

This report covers work preformed on three ROSAT projects: (1) Monitoring the X-ray Intensity of the Core and Jet of M87; (2) The radio-optical jet in 3C-120 and (3) A search for cluster emission at high redshift.

A binary origin for 'blue stragglers' in globular clusters.

PubMed

Knigge, Christian; Leigh, Nathan; Sills, Alison

2009-01-15

Blue stragglers in globular clusters are abnormally massive stars that should have evolved off the stellar main sequence long ago. There are two known processes that can create these objects: direct stellar collisions and binary evolution. However, the relative importance of these processes has remained unclear. In particular, the total number of blue stragglers found in a given cluster does not seem to correlate with the predicted collision rate, providing indirect support for the binary-evolution model. Yet the radial distributions of blue stragglers in many clusters are bimodal, with a dominant central peak: this has been interpreted as an indication that collisions do dominate blue straggler production, at least in the high-density cluster cores. Here we report that there is a clear, but sublinear, correlation between the number of blue stragglers found in a cluster core and the total stellar mass contained within it. From this we conclude that most blue stragglers, even those found in cluster cores, come from binary systems. The parent binaries, however, may themselves have been affected by dynamical encounters. This may be the key to reconciling all of the seemingly conflicting results found to date.

A near ambient pressure XPS study of subnanometer silver clusters on Al 2O 3 and TiO 2 ultrathin film supports

DOE PAGES

Mao, Bao -Hua; Chang, Rui; Shi, Lei; ...

2014-10-29

Here, we have investigated model systems of silver clusters with different sizes (3 and 15 atoms) deposited on alumina and titania supports using ambient pressure X-ray photoelectron spectroscopy. The electronic structures of silver clusters and support materials are studied upon exposure to various atmospheres (ultrahigh vacuum, O 2 and CO) at different temperatures. Compared to bulk silver, the binding energies of silver clusters are about 0.55 eV higher on TiO 2 and 0.95 eV higher on Al 2O 3 due to the final state effect and the interaction with supports. No clear size effect of the silver XPS peak ismore » observed on different silver clusters among these samples. Silver clusters on titania show better stability against sintering. Al 2p and Ti 2p core level peak positions of the alumina and titania support surfaces change upon exposure to oxygen while the Ag 3d core level position remains unchanged. We discuss the origin of these core level shifts and their implications for catalytic properties of Ag clusters.« less

Cooperativity of self-organized Brownian motors pulling on soft cargoes.

PubMed

Orlandi, Javier G; Blanch-Mercader, Carles; Brugués, Jan; Casademunt, Jaume

2010-12-01

We study the cooperative dynamics of Brownian motors moving along a one-dimensional track when an external load is applied to the leading motor, mimicking molecular motors pulling on membrane-bound cargoes in intracellular traffic. Due to the asymmetric loading, self-organized motor clusters form spontaneously. We model the motors with a two-state noise-driven ratchet formulation and study analytically and numerically the collective velocity-force and efficiency-force curves resulting from mutual interactions, mostly hard-core repulsion and weak (nonbinding) attraction. We analyze different parameter regimes including the limits of weak noise, mean-field behavior, rigid coupling, and large numbers of motors, for the different interactions. We present a general framework to classify and quantify cooperativity. We show that asymmetric loading leads generically to enhanced cooperativity beyond the simple superposition of the effects of individual motors. For weakly attracting interactions, the cooperativity is mostly enhanced, including highly coordinated motion of motors and complex nonmonotonic velocity-force curves, leading to self-regulated clusters. The dynamical scenario is enriched by resonances associated to commensurability of different length scales. Large clusters exhibit synchronized dynamics and bidirectional motion. Biological implications are discussed.

Hexanuclear gold(I) phosphide complexes as platforms for multiple redox-active ferrocenyl units.

PubMed

Lee, Terence Kwok-Ming; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah

2014-01-03

The synthesis, X-ray crystal structures, electrochemical, and spectroscopic studies of a series of hexanuclear gold(I) μ(3)-ferrocenylmethylphosphido complexes stabilized by bridging phosphine ligands, [Au(6)(P-P)(n)(Fc-CH(2)-P)(2)][PF(6)](2) (n=3, P-P=dppm (bis(diphenylphosphino)methane) (1), dppe (1,2-bis(diphenylphosphino)ethane) (2), dppp (1,3-bis(diphenylphosphino)propane) (3), Ph(2)PN(C(3)H(7))-PPh(2) (4), Ph(2)PN(Ph-CH(3)-p)PPh(2) (5), dppf (1,1′-bis(diphenylphosphino)ferrocene) (6); n=2, P-P=dpepp (bis(2-diphenylphosphinoethyl)phenylphosphine) (7)), as platforms for multiple redox-active ferrocenyl units, are reported. The investigation of the structural changes of the clusters has been probed by introducing different bridging phosphine ligands. This class of gold(I) μ(3)-ferrocenylmethylphosphido complexes has been found to exhibit one reversible oxidation couple, suggestive of the absence of electronic communication between the ferrocene units through the Au(6)P(2) cluster core, providing an understanding of the electronic properties of the hexanuclear Au(I) cluster linkage. The present complexes also serve as an ideal system for the design of multi-electron reservoir and molecular battery systems.

Cooperativity of self-organized Brownian motors pulling on soft cargoes

NASA Astrophysics Data System (ADS)

Orlandi, Javier G.; Blanch-Mercader, Carles; Brugués, Jan; Casademunt, Jaume

2010-12-01

We study the cooperative dynamics of Brownian motors moving along a one-dimensional track when an external load is applied to the leading motor, mimicking molecular motors pulling on membrane-bound cargoes in intracellular traffic. Due to the asymmetric loading, self-organized motor clusters form spontaneously. We model the motors with a two-state noise-driven ratchet formulation and study analytically and numerically the collective velocity-force and efficiency-force curves resulting from mutual interactions, mostly hard-core repulsion and weak (nonbinding) attraction. We analyze different parameter regimes including the limits of weak noise, mean-field behavior, rigid coupling, and large numbers of motors, for the different interactions. We present a general framework to classify and quantify cooperativity. We show that asymmetric loading leads generically to enhanced cooperativity beyond the simple superposition of the effects of individual motors. For weakly attracting interactions, the cooperativity is mostly enhanced, including highly coordinated motion of motors and complex nonmonotonic velocity-force curves, leading to self-regulated clusters. The dynamical scenario is enriched by resonances associated to commensurability of different length scales. Large clusters exhibit synchronized dynamics and bidirectional motion. Biological implications are discussed.

On the Coupling Time of the Heat-Bath Process for the Fortuin-Kasteleyn Random-Cluster Model

NASA Astrophysics Data System (ADS)

Collevecchio, Andrea; Elçi, Eren Metin; Garoni, Timothy M.; Weigel, Martin

2018-01-01

We consider the coupling from the past implementation of the random-cluster heat-bath process, and study its random running time, or coupling time. We focus on hypercubic lattices embedded on tori, in dimensions one to three, with cluster fugacity at least one. We make a number of conjectures regarding the asymptotic behaviour of the coupling time, motivated by rigorous results in one dimension and Monte Carlo simulations in dimensions two and three. Amongst our findings, we observe that, for generic parameter values, the distribution of the appropriately standardized coupling time converges to a Gumbel distribution, and that the standard deviation of the coupling time is asymptotic to an explicit universal constant multiple of the relaxation time. Perhaps surprisingly, we observe these results to hold both off criticality, where the coupling time closely mimics the coupon collector's problem, and also at the critical point, provided the cluster fugacity is below the value at which the transition becomes discontinuous. Finally, we consider analogous questions for the single-spin Ising heat-bath process.

Interplay between Oxygen and Fe–S Cluster Biogenesis: Insights from the Suf Pathway

PubMed Central

2015-01-01

Iron–sulfur (Fe–S) cluster metalloproteins conduct essential functions in nearly all contemporary forms of life. The nearly ubiquitous presence of Fe–S clusters and the fundamental requirement for Fe–S clusters in both aerobic and anaerobic Archaea, Bacteria, and Eukarya suggest that these clusters were likely integrated into central metabolic pathways early in the evolution of life prior to the widespread oxidation of Earth’s atmosphere. Intriguingly, Fe–S cluster-dependent metabolism is sensitive to disruption by oxygen because of the decreased bioavailability of ferric iron as well as direct oxidation of sulfur trafficking intermediates and Fe–S clusters by reactive oxygen species. This fact, coupled with the ubiquity of Fe–S clusters in aerobic organisms, suggests that organisms evolved with mechanisms that facilitate the biogenesis and use of these essential cofactors in the presence of oxygen, which gradually began to accumulate around 2.5 billion years ago as oxygenic photosynthesis proliferated and reduced minerals that buffered against oxidation were depleted. This review highlights the most ancient of the Fe–S cluster biogenesis pathways, the Suf system, which likely was present in early anaerobic forms of life. Herein, we use the evolution of the Suf pathway to assess the relationships between the biochemical functions and physiological roles of Suf proteins, with an emphasis on the selective pressure of oxygen toxicity. Our analysis suggests that diversification into oxygen-containing environments disrupted iron and sulfur metabolism and was a main driving force in the acquisition of accessory Suf proteins (such as SufD, SufE, and SufS) by the core SufB–SufC scaffold complex. This analysis provides a new framework for the study of Fe–S cluster biogenesis pathways and Fe–S cluster-containing metalloenzymes and their complicated patterns of divergence in response to oxygen. PMID:25153801

Analysis of pan-genome to identify the core genes and essential genes of Brucella spp.

PubMed

Yang, Xiaowen; Li, Yajie; Zang, Juan; Li, Yexia; Bie, Pengfei; Lu, Yanli; Wu, Qingmin

2016-04-01

Brucella spp. are facultative intracellular pathogens, that cause a contagious zoonotic disease, that can result in such outcomes as abortion or sterility in susceptible animal hosts and grave, debilitating illness in humans. For deciphering the survival mechanism of Brucella spp. in vivo, 42 Brucella complete genomes from NCBI were analyzed for the pan-genome and core genome by identification of their composition and function of Brucella genomes. The results showed that the total 132,143 protein-coding genes in these genomes were divided into 5369 clusters. Among these, 1710 clusters were associated with the core genome, 1182 clusters with strain-specific genes and 2477 clusters with dispensable genomes. COG analysis indicated that 44 % of the core genes were devoted to metabolism, which were mainly responsible for energy production and conversion (COG category C), and amino acid transport and metabolism (COG category E). Meanwhile, approximately 35 % of the core genes were in positive selection. In addition, 1252 potential essential genes were predicted in the core genome by comparison with a prokaryote database of essential genes. The results suggested that the core genes in Brucella genomes are relatively conservation, and the energy and amino acid metabolism play a more important role in the process of growth and reproduction in Brucella spp. This study might help us to better understand the mechanisms of Brucella persistent infection and provide some clues for further exploring the gene modules of the intracellular survival in Brucella spp.

Sloshing Gas in the Core of the Most Luminous Galaxy Cluster RXJ1347.5-1145

NASA Technical Reports Server (NTRS)

Johnson, Ryan E.; Zuhone, John; Jones, Christine; Forman, William R.; Markevitvh, Maxim

2011-01-01

We present new constraints on the merger history of the most X-ray luminous cluster of galaxies, RXJ1347.5-1145, based on its unique multiwavelength morphology. Our X-ray analysis confirms the core gas is undergoing "sloshing" resulting from a prior, large scale, gravitational perturbation. In combination with extensive multiwavelength observations, the sloshing gas points to the primary and secondary clusters having had at least two prior strong gravitational interactions. The evidence supports a model in which the secondary subcluster with mass M=4.8+/-2.4x10(exp 14) solar Mass has previously (> or approx.0.6 Gyr ago) passed by the primary cluster, and has now returned for a subsequent crossing where the subcluster's gas has been completely stripped from its dark matter halo. RXJ1347 is a prime example of how core gas sloshing may be used to constrain the merger histories of galaxy clusters through multiwavelength analyses.

Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory

NASA Astrophysics Data System (ADS)

Black, Joshua A.; Knowles, Peter J.

2018-06-01

The performance of quasi-variational coupled-cluster (QV) theory applied to the calculation of activation and reaction energies has been investigated. A statistical analysis of results obtained for six different sets of reactions has been carried out, and the results have been compared to those from standard single-reference methods. In general, the QV methods lead to increased activation energies and larger absolute reaction energies compared to those obtained with traditional coupled-cluster theory.

Coupled-cluster computations of atomic nuclei

NASA Astrophysics Data System (ADS)

Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M.; Dean, D. J.

2014-09-01

In the past decade, coupled-cluster theory has seen a renaissance in nuclear physics, with computations of neutron-rich and medium-mass nuclei. The method is efficient for nuclei with product-state references, and it describes many aspects of weakly bound and unbound nuclei. This report reviews the technical and conceptual developments of this method in nuclear physics, and the results of coupled-cluster calculations for nucleonic matter, and for exotic isotopes of helium, oxygen, calcium, and some of their neighbors.

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wahlen-Strothman, J. M.; Henderson, T. H.; Hermes, M. R.

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories.more » We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.« less

Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

NASA Astrophysics Data System (ADS)

Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

2017-06-01

The failures of single-reference coupled-cluster theory for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the mean-field determinant by projection reveals that coupled-cluster theory fails because it factorizes high-order excitation amplitudes incorrectly. However, symmetry-projected mean-field wave functions do not account sufficiently for dynamic (or weak) correlation. Here we pursue a merger of symmetry projection and coupled-cluster theory, following previous work along these lines that utilized the simple Lipkin model system as a test bed [J. Chem. Phys. 146, 054110 (2017), 10.1063/1.4974989]. We generalize the concept of a symmetry-projected mean-field wave function to the concept of a symmetry projected state, in which the factorization of high-order excitation amplitudes in terms of low-order ones is guided by symmetry projection and is not exponential, and combine them with coupled-cluster theory in order to model the ground state of the Agassi Hamiltonian. This model has two separate channels of correlation and two separate physical symmetries which are broken under strong correlation. We show how the combination of symmetry collective states and coupled-cluster theory is effective in obtaining correlation energies and order parameters of the Agassi model throughout its phase diagram.

Abell 1142 and the Missing Central Galaxy – A Cluster in Transition?

NASA Astrophysics Data System (ADS)

Jones, Alexander; Su, Yuanyuan; Buote, David; Forman, William; van Weeren, Reinout; Jones, Christine; Gastaldello, Fabio; Kraft, Ralph; Randall, Scott

2018-01-01

Two types of galaxy clusters exist: cool core (CC) clusters which exhibit centrally-peaked metallicity and X-ray emission and non-cool core (NCC) clusters, possessing comparably homogeneous metallicity and X-ray emission distributions. However, the origin of this dichotomy is still unknown. The current prevailing theories state that either there is a primordial entropy limit, above which a CC is unable to form, or that clusters can change type through major mergers and radiative cooling. Abell 1142 is a galaxy cluster that can provide a unique probe of the root of this cluster-type division. It is formed of two merging sub-clusters, each with its own brightest cluster galaxies (BCG). Its enriched X-ray centroid (possible CC remnant) lies between these two BCGs. We present the thermal and chemical distributions of this system using deep (180ks) XMM-Newton observations to shed light on the role of mergers in the evolution of galaxy clusters.

Structural transition of (InSb)n clusters at n = 6-10

NASA Astrophysics Data System (ADS)

Lu, Qi Liang; Luo, Qi Quan; Huang, Shou Guo; Li, Yi De

2016-10-01

An optimization strategy combining global semi-empirical quantum mechanical search with all-electron density functional theory was adopted to determine the lowest energy structure of (InSb)n clusters with n = 6-10. A new structural growth pattern of the clusters was observed. The lowest energy structures of (InSb)6 and (InSb)8 were different from that of previously reported results. Competition existed between core-shell and cage-like structures of (InSb)8. The structural transition of (InSb)n clusters occurred at size n = 8-9. For (InSb)9 and (InSb)10 clusters, core-shell structure were more energetically favorable than the cage. The corresponding electronic properties were investigated.

Fiber optic laser rod

DOEpatents

Erickson, G.F.

1988-04-13

A laser rod is formed from a plurality of optical fibers, each forming an individual laser. Synchronization of the individual fiber lasers is obtained by evanescent wave coupling between adjacent optical fiber cores. The fiber cores are dye-doped and spaced at a distance appropriate for evanescent wave coupling at the wavelength of the selected dye. An interstitial material having an index of refraction lower than that of the fiber core provides the optical isolation for effective lasing action while maintaining the cores at the appropriate coupling distance. 2 figs.

A correlated ab initio study of linear carbon-chain radicals CnH (n = 2-7)

NASA Technical Reports Server (NTRS)

Woon, D. E.; Loew, G. H. (Principal Investigator)

1995-01-01

Linear carbon-chain radicals CnH for n = 2-7 have been studied with correlation consistent valence and core-valence basis sets and the coupled cluster method RCCSD(T). Equilibrium structures, rotational constants, and dipole moments are reported and compared with available experimental data. The ground state of the even-n series changes from 2 sigma+ to 2 pi as the chain is extended. For C4H, the 2 sigma+ state was found to lie only 72 cm-1 below the 2 pi state in the estimated complete basis set limit for valence correlation. The C2H- and C3H- anions have also been characterized.

Mode coupling in 340 μm GeO2 doped core-silica clad optical fibers

NASA Astrophysics Data System (ADS)

Djordjevich, Alexandar; Savović, Svetislav

2017-03-01

The state of mode coupling in 340 μm GeO2 doped core-silica clad optical fibers is investigated in this article using the power flow equation. The coupling coefficient in this equation was first tuned such that the equation could correctly reconstruct previously reported measured output power distributions. It was found that the GeO2 doped core-silica clad optical fiber showed stronger mode coupling than both, glass and popular plastic optical fibers. Consequently, the equilibrium as well as steady state mode distributions were achieved at shorter fiber lengths in GeO2 doped core-silica clad optical fibers.

Revealing Thermal Instabilities in the Core of the Phoenix Cluster

NASA Astrophysics Data System (ADS)

McDonald, Michael

2017-08-01

The Phoenix cluster is the most relaxed cluster known, and hosts the strongest cool core of any cluster yet discovered. At the center of this cluster is a massive starburst galaxy, with a SFR of 500-1000 Msun/yr, seemingly satisfying the early cooling flow predictions, despite the presence of strong AGN feedback from the central supermassive black hole. Here we propose deep narrow-band imaging of the central 120 kpc of the cluster, to map the warm (10^4K) ionized gas via the [O II] emission line. In low-z clusters, such as Perseus and Abell 1795, the warm, ionized phase is of critical importance to map out thermal instabilities in the hot gas, and maps of Halpha and [O II] have been used for decades to understand how (and how not) cooling proceeds in the intracluster medium. The data proposed for here, combined with deep ALMA data, a recently-approved Large Chandra Program, and recently-approved multi-frequency JVLA data, will allow us to probe the cooling ICM, the cool, filamentary gas, the cold molecular gas, the star-forming population, and the AGN jets all on scales of <10 kpc. This multi-observatory campaign, focusing on the most extreme cooling cluster, will lead to a more complete understanding of how and why thermal instabilities develop in the hot ICM of cool core clusters.

Mass Distribution in Galaxy Cluster Cores

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hogan, M. T.; McNamara, B. R.; Pulido, F.

Many processes within galaxy clusters, such as those believed to govern the onset of thermally unstable cooling and active galactic nucleus feedback, are dependent upon local dynamical timescales. However, accurate mapping of the mass distribution within individual clusters is challenging, particularly toward cluster centers where the total mass budget has substantial radially dependent contributions from the stellar ( M {sub *}), gas ( M {sub gas}), and dark matter ( M {sub DM}) components. In this paper we use a small sample of galaxy clusters with deep Chandra observations and good ancillary tracers of their gravitating mass at both largemore » and small radii to develop a method for determining mass profiles that span a wide radial range and extend down into the central galaxy. We also consider potential observational pitfalls in understanding cooling in hot cluster atmospheres, and find tentative evidence for a relationship between the radial extent of cooling X-ray gas and nebular H α emission in cool-core clusters. At large radii the entropy profiles of our clusters agree with the baseline power law of K ∝ r {sup 1.1} expected from gravity alone. At smaller radii our entropy profiles become shallower but continue with a power law of the form K ∝ r {sup 0.67} down to our resolution limit. Among this small sample of cool-core clusters we therefore find no support for the existence of a central flat “entropy floor.”.« less

An efficient matrix-matrix multiplication based antisymmetric tensor contraction engine for general order coupled cluster.

PubMed

Hanrath, Michael; Engels-Putzka, Anna

2010-08-14

In this paper, we present an efficient implementation of general tensor contractions, which is part of a new coupled-cluster program. The tensor contractions, used to evaluate the residuals in each coupled-cluster iteration are particularly important for the performance of the program. We developed a generic procedure, which carries out contractions of two tensors irrespective of their explicit structure. It can handle coupled-cluster-type expressions of arbitrary excitation level. To make the contraction efficient without loosing flexibility, we use a three-step procedure. First, the data contained in the tensors are rearranged into matrices, then a matrix-matrix multiplication is performed, and finally the result is backtransformed to a tensor. The current implementation is significantly more efficient than previous ones capable of treating arbitrary high excitations.

Multiple Core Galaxies: Implications for M31

NASA Technical Reports Server (NTRS)

Smith, B. F.; Miller, R. H.; Cuzzi, Jeffrey N. (Technical Monitor)

1994-01-01

It is generally perceived that two cores cannot survive very long within the nuclear regions of a galaxy. The recent HST discovery of a double nucleus in M31 brings this question into prominence. Physical conditions in the nuclear regions of a typical galaxy help a second core survive so it can orbit for a long time, possibly for thousands of orbits. Given the nearly uniform mass density in a core, tidal forces within a core radius are compressive in all directions and help the core survive the buffeting it takes as it orbits near the center of the galaxy. We use numerical experiments to illustrate these physical principles. Modifications to the experimental method allow the full power of the experiments to be concentrated on the nuclear regions. Spatial resolution of about 0.2 parsec comfortably resolves detail within the 1.4 parsec core radius of the second, but brighter, core (P1) in M31. The same physical principles apply in other astronomical situations, such as dumbbell galaxies, galaxies orbiting near the center of a galaxy cluster, and subclustering in galaxy clusters. The experiments also illustrate that galaxy encounters and merging are quite sensitive to external tidal forces, such as those produced by the gravitational potential in a group or cluster of galaxies.

Intriguing structures and magic sizes of heavy noble metal nanoclusters around size 55 governed by relativistic effect and covalent bonding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, X. J.; Xue, X. L.; Guo, Z. X.

Nanoclusters usually display exotic physical and chemical properties due to their intriguing geometric structures in contrast to their bulk counterparts. By means of first-principles calculations within density functional theory, we find that heavy noble metal Pt N nanoclusters around the size N = 55 begin to prefer an open configuration, rather than previously reported close-packed icosahedron or core-shell structures. Particularly, for Pt N, the widely supposed icosahedronal magic cluster is changed to a three-atomic-layered structure with D 6h symmetry, which can be well addressed by our recently established generalized Wulff construction principle (GWCP). But, the magic number of Pt Nmore » clusters around 55 is shifted to a new odd number of 57. The high symmetric three-layered Pt-57 motif is mainly stabilized by the enhanced covalent bonding contributed by both spin-orbital coupling effect and the open d orbital (5d 96s 1) of Pt, which result in a delicate balance between the enhanced Pt-Pt covalent bonding of the interlayers and negligible d dangling bonds on the cluster edges. Our findings about Pt N clusters are also applicable to Ir N clusters, but qualitatively different from their earlier neighboring element Os and their later neighboring element Au. The magic numbers for Os and Au are even, being 56 and 58, respectively. Finally, the findings of the new odd magic number 57 are the important supplementary of the recently established GWCP.« less

Random phase approximation and cluster mean field studies of hard core Bose Hubbard model

NASA Astrophysics Data System (ADS)

Alavani, Bhargav K.; Gaude, Pallavi P.; Pai, Ramesh V.

2018-04-01

We investigate zero temperature and finite temperature properties of the Bose Hubbard Model in the hard core limit using Random Phase Approximation (RPA) and Cluster Mean Field Theory (CMFT). We show that our RPA calculations are able to capture quantum and thermal fluctuations significantly better than CMFT.

Using Hyperfine Electron Paramagnetic Resonance Spectroscopy to Define the Proton-Coupled Electron Transfer Reaction at Fe-S Cluster N2 in Respiratory Complex I.

PubMed

Le Breton, Nolwenn; Wright, John J; Jones, Andrew J Y; Salvadori, Enrico; Bridges, Hannah R; Hirst, Judy; Roessler, Maxie M

2017-11-15

Energy-transducing respiratory complex I (NADH:ubiquinone oxidoreductase) is one of the largest and most complicated enzymes in mammalian cells. Here, we used hyperfine electron paramagnetic resonance (EPR) spectroscopic methods, combined with site-directed mutagenesis, to determine the mechanism of a single proton-coupled electron transfer reaction at one of eight iron-sulfur clusters in complex I, [4Fe-4S] cluster N2. N2 is the terminal cluster of the enzyme's intramolecular electron-transfer chain and the electron donor to ubiquinone. Because of its position and pH-dependent reduction potential, N2 has long been considered a candidate for the elusive "energy-coupling" site in complex I at which energy generated by the redox reaction is used to initiate proton translocation. Here, we used hyperfine sublevel correlation (HYSCORE) spectroscopy, including relaxation-filtered hyperfine and single-matched resonance transfer (SMART) HYSCORE, to detect two weakly coupled exchangeable protons near N2. We assign the larger coupling with A( 1 H) = [-3.0, -3.0, 8.7] MHz to the exchangeable proton of a conserved histidine and conclude that the histidine is hydrogen-bonded to N2, tuning its reduction potential. The histidine protonation state responds to the cluster oxidation state, but the two are not coupled sufficiently strongly to catalyze a stoichiometric and efficient energy transduction reaction. We thus exclude cluster N2, despite its proton-coupled electron transfer chemistry, as the energy-coupling site in complex I. Our work demonstrates the capability of pulse EPR methods for providing detailed information on the properties of individual protons in even the most challenging of energy-converting enzymes.

Studying the Effect of a Composition of the Cluster Core in High-Radiopacity Cluster Complexes of Rhenium on Their Acute Toxicity In Vivo.

PubMed

Pozmogova, T N; Krasil'nikova, A A; Ivanov, A A; Shestopalov, M A; Gyrylova, S N; Shestopalova, L V; Shestopaloiv, A M; Shkurupy, V A

2016-05-01

An in vivo study was performed to evaluate the dependence of acute toxicity of high-radiopacity and luminescent octahedral cluster complexes of rhenium after intravenous injection on a composition of the cluster core. Changes in mouse body weight, water and food consumption, degree of intoxication, and morphological changes in the visceral organs were studied after intravenous injection of the following cluster complexes with various internal ligands (S, Se, or Te): Na4[{Re 6 Te 8 }(CN)6], Na4[{Re 6 Se 8 }(CN)6], and Na4[{Re 6 S 8 }(CN)6]. The Na4[{Re 6 S 8 } (CN)6] cluster complex was shown to be the safest for animals.

Precise strong lensing mass profile of the CLASH galaxy cluster MACS 2129

NASA Astrophysics Data System (ADS)

Monna, A.; Seitz, S.; Balestra, I.; Rosati, P.; Grillo, C.; Halkola, A.; Suyu, S. H.; Coe, D.; Caminha, G. B.; Frye, B.; Koekemoer, A.; Mercurio, A.; Nonino, M.; Postman, M.; Zitrin, A.

2017-04-01

We present a detailed strong lensing (SL) mass reconstruction of the core of the galaxy cluster MACS J2129.4-0741 (zcl = 0.589) obtained by combining high-resolution Hubble Space Telescope photometry from the CLASH (Cluster Lensing And Supernovae survey with Hubble) survey with new spectroscopic observations from the CLASH-VLT (Very Large Telescope) survey. A background bright red passive galaxy at zsp = 1.36, sextuply lensed in the cluster core, has four radial lensed images located over the three central cluster members. Further 19 background lensed galaxies are spectroscopically confirmed by our VLT survey, including 3 additional multiple systems. A total of 31 multiple images are used in the lensing analysis. This allows us to trace with high precision the total mass profile of the cluster in its very inner region (R < 100 kpc). Our final lensing mass model reproduces the multiple images systems identified in the cluster core with high accuracy of 0.4 arcsec. This translates to a high-precision mass reconstruction of MACS 2129, which is constrained at a level of 2 per cent. The cluster has Einstein parameter ΘE = (29 ± 4) arcsec and a projected total mass of Mtot(<ΘE) = (1.35 ± 0.03) × 1014 M⊙ within such radius. Together with the cluster mass profile, we provide here also the complete spectroscopic data set for the cluster members and lensed images measured with VLT/Visible Multi-Object Spectrograph within the CLASH-VLT survey.

Cluster-modified function projective synchronisation of complex networks with asymmetric coupling

NASA Astrophysics Data System (ADS)

Wang, Shuguo

2018-02-01

This paper investigates the cluster-modified function projective synchronisation (CMFPS) of a generalised linearly coupled network with asymmetric coupling and nonidentical dynamical nodes. A novel synchronisation scheme is proposed to achieve CMFPS in community networks. We use adaptive control method to derive CMFPS criteria based on Lyapunov stability theory. Each cluster of networks is synchronised with target system by state transformation with scaling function matrix. Numerical simulation results are presented finally to illustrate the effectiveness of this method.

Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.

PubMed

Karamanis, Panaghiotis; Pouchan, Claude; Leszczynski, Jerzy

2008-12-25

A systematic ab initio comparative study of the (hyper)polarizabilities of selected III-V stoichiometric semiconductor clusters has been carried out. Our investigation focuses on the ground state structures of the dimers and on two dissimilar trimer configurations of aluminum, gallium, indium phosphide and arsenide. The basis set effect on both the polarizabilities and hyperpolarizabilities of the studied systems has been explicitly taken into account relying on the augmented correlation consistent aug-cc-pVnZ (n = D, T, Q, and 5) basis sets series. In addition, a rough estimation of the effects of the relativistic effects on the investigated properties is provided by extension of the study to include calculations performed with relativistic electron core potentials (or pseudopotentials). Electron correlation effects have been estimated utilizing methods of increasing predictive reliability, e.g., the Møller-Plesset many body perturbation theory and the couple cluster approach. Our results reveal that in the considered semiconductor species the Group III elements (Al, Ga, In) play a vital role on the values of their relative (hyper)polarizability. At all levels of theory employed the most hyperpolarizable clusters are the indium derivatives while the aluminum arsenide clusters also exhibit high, comparable hyperpolarizabilities. The less hyperpolarizable species are those composed of gallium and this is associated with the strong influence of the nuclear charge on the valence electrons of Ga due to the poor shielding that is provided by the semicore d electrons. In addition, the analysis of the electronic structure and the hyperpolarizability magnitudes reveals that clusters, in which their bonding is characterized by strong electron transfer from the electropositive to the electronegative atoms, are less hyperpolarizable than species in which the corresponding electron transfer is weaker. Lastly, from the methodological point of view our results point out that the hyperpolarizabilities of those species converge when an augmented triple-zeta quality basis set is used and, also, that the second order Møller-Plesset approximation (MP2) overestimates considerably their second hyperpolarizabilities with respect to the highest level of coupled cluster theory applied in this study (CCSD(T)).

Removal of Ca 2+ from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn 4O 5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study

DOE PAGES

Lohmiller, Thomas; Shelby, Megan L.; Long, Xi; ...

2015-05-19

We studied Ca 2+ -depleted and Ca 2+ -reconstituted spinach photosystem II using polarized X-ray absorption spectroscopy of oriented PS II preparations to investigate the structural and functional role of the Ca 2+ ion in the Mn 4O 5Ca cluster of the oxygen-evolving complex (OEC). Samples were prepared by low pH/citrate treatment as one-dimensionally ordered membrane layers and poised in the Ca 2+ -depleted S 1 (S 1') and S 2 (S 2') states, the S 2'Y Z• state, at which point the catalytic cycle of water oxidation is inhibited, and the Ca 2+ -reconstituted S 1 state. Polarized Mnmore » K-edge XANES and EXAFS spectra exhibit pronounced dichroism. Polarized EXAFS data of all states of Ca 2+ -depleted PS II investigated show only minor changes in distances and orientations of the Mn-Mn vectors compared to the Ca 2+ -containing OEC, which may be attributed to some loss of rigidity of the core structure. Thus, removal of the Ca 2+ ion does not lead to fundamental distortion or rearrangement of the tetranuclear Mn cluster, which indicates that the Ca 2+ ion in the OEC is not critical for structural maintenance of the cluster, at least in the S 1 and S 2 states, but fulfills a crucial catalytic function in the mechanism of the water oxidation reaction. On the basis of this structural information, reasons for the inhibitory effect of Ca 2+ removal are discussed, attributing to the Ca 2+ ion a fundamental role in organizing the surrounding (substrate) water framework and in proton-coupled electron transfer to Y Z• (D1-Tyr161).« less

Removal of Ca(2+) from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn4O5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study.

PubMed

Lohmiller, Thomas; Shelby, Megan L; Long, Xi; Yachandra, Vittal K; Yano, Junko

2015-10-29

Ca(2+)-depleted and Ca(2+)-reconstituted spinach photosystem II was studied using polarized X-ray absorption spectroscopy of oriented PS II preparations to investigate the structural and functional role of the Ca(2+) ion in the Mn4O5Ca cluster of the oxygen-evolving complex (OEC). Samples were prepared by low pH/citrate treatment as one-dimensionally ordered membrane layers and poised in the Ca(2+)-depleted S1 (S1') and S2 (S2') states, the S2'YZ(•) state, at which point the catalytic cycle of water oxidation is inhibited, and the Ca(2+)-reconstituted S1 state. Polarized Mn K-edge XANES and EXAFS spectra exhibit pronounced dichroism. Polarized EXAFS data of all states of Ca(2+)-depleted PS II investigated show only minor changes in distances and orientations of the Mn-Mn vectors compared to the Ca(2+)-containing OEC, which may be attributed to some loss of rigidity of the core structure. Thus, removal of the Ca(2+) ion does not lead to fundamental distortion or rearrangement of the tetranuclear Mn cluster, which indicates that the Ca(2+) ion in the OEC is not critical for structural maintenance of the cluster, at least in the S1 and S2 states, but fulfills a crucial catalytic function in the mechanism of the water oxidation reaction. On the basis of this structural information, reasons for the inhibitory effect of Ca(2+) removal are discussed, attributing to the Ca(2+) ion a fundamental role in organizing the surrounding (substrate) water framework and in proton-coupled electron transfer to YZ(•) (D1-Tyr161).

The quiescent intracluster medium in the core of the Perseus cluster.

PubMed

2016-07-07

Clusters of galaxies are the most massive gravitationally bound objects in the Universe and are still forming. They are thus important probes of cosmological parameters and many astrophysical processes. However, knowledge of the dynamics of the pervasive hot gas, the mass of which is much larger than the combined mass of all the stars in the cluster, is lacking. Such knowledge would enable insights into the injection of mechanical energy by the central supermassive black hole and the use of hydrostatic equilibrium for determining cluster masses. X-rays from the core of the Perseus cluster are emitted by the 50-million-kelvin diffuse hot plasma filling its gravitational potential well. The active galactic nucleus of the central galaxy NGC 1275 is pumping jetted energy into the surrounding intracluster medium, creating buoyant bubbles filled with relativistic plasma. These bubbles probably induce motions in the intracluster medium and heat the inner gas, preventing runaway radiative cooling--a process known as active galactic nucleus feedback. Here we report X-ray observations of the core of the Perseus cluster, which reveal a remarkably quiescent atmosphere in which the gas has a line-of-sight velocity dispersion of 164 ± 10 kilometres per second in the region 30-60 kiloparsecs from the central nucleus. A gradient in the line-of-sight velocity of 150 ± 70 kilometres per second is found across the 60-kiloparsec image of the cluster core. Turbulent pressure support in the gas is four per cent of the thermodynamic pressure, with large-scale shear at most doubling this estimate. We infer that a total cluster mass determined from hydrostatic equilibrium in a central region would require little correction for turbulent pressure.

The quiescent intracluster medium in the core of the Perseus cluster

DOE PAGES

Aharonian, Felix; Akamatsu, Hiroki; Akimoto, Fumie; ...

2016-07-06

Clusters of galaxies are the most massive gravitationally bound objects in the Universe and are still forming. They are thus important probes of cosmological parameters and many astrophysical processes. However, knowledge of the dynamics of the pervasive hot gas, the mass of which is much larger than the combined mass of all the stars in the cluster, is lacking. Such knowledge would enable insights into the injection of mechanical energy by the central supermassive black hole and the use of hydrostatic equilibrium for determining cluster masses. X-rays from the core of the Perseus cluster are emitted by the 50-million-kelvin diffusemore » hot plasma filling its gravitational potential well. The active galactic nucleus of the central galaxy NGC 1275 is pumping jetted energy into the surrounding intracluster medium, creating buoyant bubbles filled with relativistic plasma. These bubbles probably induce motions in the intracluster medium and heat the inner gas, preventing runaway radiative cooling—a process known as active galactic nucleus feedback. In this paper, we report X-ray observations of the core of the Perseus cluster, which reveal a remarkably quiescent atmosphere in which the gas has a line-of-sight velocity dispersion of 164 ± 10 kilometres per second in the region 30–60 kiloparsecs from the central nucleus. A gradient in the line-of-sight velocity of 150 ± 70 kilometres per second is found across the 60-kiloparsec image of the cluster core. Turbulent pressure support in the gas is four per cent of the thermodynamic pressure, with large-scale shear at most doubling this estimate. Finally, we infer that a total cluster mass determined from hydrostatic equilibrium in a central region would require little correction for turbulent pressure.« less

The quiescent intracluster medium in the core of the Perseus cluster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aharonian, Felix; Akamatsu, Hiroki; Akimoto, Fumie

Clusters of galaxies are the most massive gravitationally bound objects in the Universe and are still forming. They are thus important probes of cosmological parameters and many astrophysical processes. However, knowledge of the dynamics of the pervasive hot gas, the mass of which is much larger than the combined mass of all the stars in the cluster, is lacking. Such knowledge would enable insights into the injection of mechanical energy by the central supermassive black hole and the use of hydrostatic equilibrium for determining cluster masses. X-rays from the core of the Perseus cluster are emitted by the 50-million-kelvin diffusemore » hot plasma filling its gravitational potential well. The active galactic nucleus of the central galaxy NGC 1275 is pumping jetted energy into the surrounding intracluster medium, creating buoyant bubbles filled with relativistic plasma. These bubbles probably induce motions in the intracluster medium and heat the inner gas, preventing runaway radiative cooling—a process known as active galactic nucleus feedback. In this paper, we report X-ray observations of the core of the Perseus cluster, which reveal a remarkably quiescent atmosphere in which the gas has a line-of-sight velocity dispersion of 164 ± 10 kilometres per second in the region 30–60 kiloparsecs from the central nucleus. A gradient in the line-of-sight velocity of 150 ± 70 kilometres per second is found across the 60-kiloparsec image of the cluster core. Turbulent pressure support in the gas is four per cent of the thermodynamic pressure, with large-scale shear at most doubling this estimate. Finally, we infer that a total cluster mass determined from hydrostatic equilibrium in a central region would require little correction for turbulent pressure.« less

The quiescent intracluster medium in the core of the Perseus cluster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aharonian, Felix; Akamatsu, Hiroki; Akimoto, Fumie

2016-07-06

Clusters of galaxies are the most massive gravitationally bound objects in the Universe and are still forming. They are thus important probes1 of cosmological parameters and many astrophysical processes. However, knowledge of the dynamics of the pervasive hot gas, the mass of which is much larger than the combined mass of all the stars in the cluster, is lacking. Such knowledge would enable insights into the injection of mechanical energy by the central supermassive black hole and the use of hydrostatic equilibrium for determining cluster masses. X-rays from the core of the Perseus cluster are emitted by the 50-million-kelvin diffusemore » hot plasma filling its gravitational potential well. The active galactic nucleus of the central galaxy NGC 1275 is pumping jetted energy into the surrounding intracluster medium, creating buoyant bubbles filled with relativistic plasma. These bubbles probably induce motions in the intracluster medium and heat the inner gas, preventing runaway radiative cooling—a process known as active galactic nucleus feedback2, 3, 4, 5, 6. Here we report X-ray observations of the core of the Perseus cluster, which reveal a remarkably quiescent atmosphere in which the gas has a line-of-sight velocity dispersion of 164 ± 10 kilometres per second in the region 30–60 kiloparsecs from the central nucleus. A gradient in the line-of-sight velocity of 150 ± 70 kilometres per second is found across the 60-kiloparsec image of the cluster core. Turbulent pressure support in the gas is four per cent of the thermodynamic pressure, with large-scale shear at most doubling this estimate. We infer that a total cluster mass determined from hydrostatic equilibrium in a central region would require little correction for turbulent pressure.« less

The quiescent intracluster medium in the core of the Perseus cluster

NASA Astrophysics Data System (ADS)

Hitomi Collaboration; Aharonian, Felix; Akamatsu, Hiroki; Akimoto, Fumie; Allen, Steven W.; Anabuki, Naohisa; Angelini, Lorella; Arnaud, Keith; Audard, Marc; Awaki, Hisamitsu; Axelsson, Magnus; Bamba, Aya; Bautz, Marshall; Blandford, Roger; Brenneman, Laura; Brown, Gregory V.; Bulbul, Esra; Cackett, Edward; Chernyakova, Maria; Chiao, Meng; Coppi, Paolo; Costantini, Elisa; de Plaa, Jelle; den Herder, Jan-Willem; Done, Chris; Dotani, Tadayasu; Ebisawa, Ken; Eckart, Megan; Enoto, Teruaki; Ezoe, Yuichiro; Fabian, Andrew C.; Ferrigno, Carlo; Foster, Adam; Fujimoto, Ryuichi; Fukazawa, Yasushi; Furuzawa, Akihiro; Galeazzi, Massimiliano; Gallo, Luigi; Gandhi, Poshak; Giustini, Margherita; Goldwurm, Andrea; Gu, Liyi; Guainazzi, Matteo; Haba, Yoshito; Hagino, Kouichi; Hamaguchi, Kenji; Harrus, Ilana; Hatsukade, Isamu; Hayashi, Katsuhiro; Hayashi, Takayuki; Hayashida, Kiyoshi; Hiraga, Junko; Hornschemeier, Ann; Hoshino, Akio; Hughes, John; Iizuka, Ryo; Inoue, Hajime; Inoue, Yoshiyuki; Ishibashi, Kazunori; Ishida, Manabu; Ishikawa, Kumi; Ishisaki, Yoshitaka; Itoh, Masayuki; Iyomoto, Naoko; Kaastra, Jelle; Kallman, Timothy; Kamae, Tuneyoshi; Kara, Erin; Kataoka, Jun; Katsuda, Satoru; Katsuta, Junichiro; Kawaharada, Madoka; Kawai, Nobuyuki; Kelley, Richard; Khangulyan, Dmitry; Kilbourne, Caroline; King, Ashley; Kitaguchi, Takao; Kitamoto, Shunji; Kitayama, Tetsu; Kohmura, Takayoshi; Kokubun, Motohide; Koyama, Shu; Koyama, Katsuji; Kretschmar, Peter; Krimm, Hans; Kubota, Aya; Kunieda, Hideyo; Laurent, Philippe; Lebrun, François; Lee, Shiu-Hang; Leutenegger, Maurice; Limousin, Olivier; Loewenstein, Michael; Long, Knox S.; Lumb, David; Madejski, Grzegorz; Maeda, Yoshitomo; Maier, Daniel; Makishima, Kazuo; Markevitch, Maxim; Matsumoto, Hironori; Matsushita, Kyoko; McCammon, Dan; McNamara, Brian; Mehdipour, Missagh; Miller, Eric; Miller, Jon; Mineshige, Shin; Mitsuda, Kazuhisa; Mitsuishi, Ikuyuki; Miyazawa, Takuya; Mizuno, Tsunefumi; Mori, Hideyuki; Mori, Koji; Moseley, Harvey; Mukai, Koji; Murakami, Hiroshi; Murakami, Toshio; Mushotzky, Richard; Nagino, Ryo; Nakagawa, Takao; Nakajima, Hiroshi; Nakamori, Takeshi; Nakano, Toshio; Nakashima, Shinya; Nakazawa, Kazuhiro; Nobukawa, Masayoshi; Noda, Hirofumi; Nomachi, Masaharu; O'Dell, Steve; Odaka, Hirokazu; Ohashi, Takaya; Ohno, Masanori; Okajima, Takashi; Ota, Naomi; Ozaki, Masanobu; Paerels, Frits; Paltani, Stephane; Parmar, Arvind; Petre, Robert; Pinto, Ciro; Pohl, Martin; Porter, F. Scott; Pottschmidt, Katja; Ramsey, Brian; Reynolds, Christopher; Russell, Helen; Safi-Harb, Samar; Saito, Shinya; Sakai, Kazuhiro; Sameshima, Hiroaki; Sato, Goro; Sato, Kosuke; Sato, Rie; Sawada, Makoto; Schartel, Norbert; Serlemitsos, Peter; Seta, Hiromi; Shidatsu, Megumi; Simionescu, Aurora; Smith, Randall; Soong, Yang; Stawarz, Lukasz; Sugawara, Yasuharu; Sugita, Satoshi; Szymkowiak, Andrew; Tajima, Hiroyasu; Takahashi, Hiromitsu; Takahashi, Tadayuki; Takeda, Shin'Ichiro; Takei, Yoh; Tamagawa, Toru; Tamura, Keisuke; Tamura, Takayuki; Tanaka, Takaaki; Tanaka, Yasuo; Tanaka, Yasuyuki; Tashiro, Makoto; Tawara, Yuzuru; Terada, Yukikatsu; Terashima, Yuichi; Tombesi, Francesco; Tomida, Hiroshi; Tsuboi, Yohko; Tsujimoto, Masahiro; Tsunemi, Hiroshi; Tsuru, Takeshi; Uchida, Hiroyuki; Uchiyama, Hideki; Uchiyama, Yasunobu; Ueda, Shutaro; Ueda, Yoshihiro; Ueno, Shiro; Uno, Shin'Ichiro; Urry, Meg; Ursino, Eugenio; de Vries, Cor; Watanabe, Shin; Werner, Norbert; Wik, Daniel; Wilkins, Dan; Williams, Brian; Yamada, Shinya; Yamaguchi, Hiroya; Yamaoka, Kazutaka; Yamasaki, Noriko Y.; Yamauchi, Makoto; Yamauchi, Shigeo; Yaqoob, Tahir; Yatsu, Yoichi; Yonetoku, Daisuke; Yoshida, Atsumasa; Yuasa, Takayuki; Zhuravleva, Irina; Zoghbi, Abderahmen

2016-07-01

Clusters of galaxies are the most massive gravitationally bound objects in the Universe and are still forming. They are thus important probes of cosmological parameters and many astrophysical processes. However, knowledge of the dynamics of the pervasive hot gas, the mass of which is much larger than the combined mass of all the stars in the cluster, is lacking. Such knowledge would enable insights into the injection of mechanical energy by the central supermassive black hole and the use of hydrostatic equilibrium for determining cluster masses. X-rays from the core of the Perseus cluster are emitted by the 50-million-kelvin diffuse hot plasma filling its gravitational potential well. The active galactic nucleus of the central galaxy NGC 1275 is pumping jetted energy into the surrounding intracluster medium, creating buoyant bubbles filled with relativistic plasma. These bubbles probably induce motions in the intracluster medium and heat the inner gas, preventing runaway radiative cooling—a process known as active galactic nucleus feedback. Here we report X-ray observations of the core of the Perseus cluster, which reveal a remarkably quiescent atmosphere in which the gas has a line-of-sight velocity dispersion of 164 ± 10 kilometres per second in the region 30-60 kiloparsecs from the central nucleus. A gradient in the line-of-sight velocity of 150 ± 70 kilometres per second is found across the 60-kiloparsec image of the cluster core. Turbulent pressure support in the gas is four per cent of the thermodynamic pressure, with large-scale shear at most doubling this estimate. We infer that a total cluster mass determined from hydrostatic equilibrium in a central region would require little correction for turbulent pressure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDonald, M.; Allen, S. W.; Bayliss, M.

Here, we present the results of a Chandra X-ray survey of the eight most massive galaxy clusters at z > 1.2 in the South Pole Telescope 2500 deg2 survey. We combine this sample with previously published Chandra observations of 49 massive X-ray-selected clusters at 0 < z < 0.1 and 90 Sunyaev–Zel'dovich–selected clusters at 0.25 < z < 1.2 to constrain the evolution of the intracluster medium (ICM) over the past ~10 Gyr. We find that the bulk of the ICM has evolved self-similarly over the full redshift range probed here, with the ICM density atmore » $$r\\gt 0.2{R}_{500}$$ scaling like $$E{(z)}^{2}$$. In the centers of clusters ($$r\\lesssim 0.01{R}_{500}$$), we find significant deviations from self-similarity ($${n}_{e}\\propto E{(z)}^{0.2\\pm 0.5}$$), consistent with no redshift dependence. When we isolate clusters with overdense cores (i.e., cool cores), we find that the average overdensity profile has not evolved with redshift—that is, cool cores have not changed in size, density, or total mass over the past ~9–10 Gyr. We show that the evolving "cuspiness" of clusters in the X-ray, reported by several previous studies, can be understood in the context of a cool core with fixed properties embedded in a self-similarly evolving cluster. We find no measurable evolution in the X-ray morphology of massive clusters, seemingly in tension with the rapidly rising (with redshift) rate of major mergers predicted by cosmological simulations. We show that these two results can be brought into agreement if we assume that the relaxation time after a merger is proportional to the crossing time, since the latter is proportional to $$H{(z)}^{-1}$$.« less

Biosynthesis of the Iron-Molybdenum Cofactor of Nitrogenase*

PubMed Central

Hu, Yilin; Ribbe, Markus W.

2013-01-01

The iron-molybdenum cofactor (the M-cluster) serves as the active site of molybdenum nitrogenase. Arguably one of the most complex metal cofactors in biological systems, the M-cluster is assembled through the formation of an 8Fe core prior to the insertion of molybdenum and homocitrate into this core. Here, we review the recent progress in the research area of M-cluster assembly, with an emphasis on our work that provides useful insights into the mechanistic details of this process. PMID:23539617

A novel mechanism for creating double pulsars

NASA Technical Reports Server (NTRS)

Sigurdsson, Steinn; Hernquist, Lars

1992-01-01

Simulations of encounters between pairs of hard binaries, each containing a neutron star and a main-sequence star, reveal a new formation mechanism for double pulsars in dense cores of globular clusters. In many cases, the two normal stars are disrupted to form a common envelope around the pair of neutron stars, both of which will be spun up to become millisecond pulsars. We predict that a new class of pulsars, double millisecond pulsars, will be discovered in the cores of dense globular clusters. The genesis proceeds through a short-lived double-core common envelope phase, with the envelope ejected in a fast wind. It is possible that the progenitor may also undergo a double X-ray binary phase. Any circular, short-period double pulsar found in the galaxy would necessarily come from disrupted disk clusters, unlike Hulse-Taylor class pulsars or low-mass X-ray binaries which may be ejected from clusters or formed in the galaxy.

Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

NASA Astrophysics Data System (ADS)

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-05-01

Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures

NASA Astrophysics Data System (ADS)

Yang, Huayan; Wang, Yu; Zheng, Nanfeng

2013-03-01

The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions.The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions. Electronic supplementary information (ESI) available: Experimental details, more pictures of the structure and XPS spectra of the clusters. CCDC 916463 and 916464. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3nr34328f

The metallicity of the intracluster medium over cosmic time: further evidence for early enrichment

NASA Astrophysics Data System (ADS)

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn; Simionescu, Aurora; Urban, Ondrej; Werner, Norbert; Zhuravleva, Irina

2017-12-01

We use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev-Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness 'peakiness' (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5-1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1-0.5 r500) we see a late-time increase in enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.

Pressure of the hot gas in simulations of galaxy clusters

NASA Astrophysics Data System (ADS)

Planelles, S.; Fabjan, D.; Borgani, S.; Murante, G.; Rasia, E.; Biffi, V.; Truong, N.; Ragone-Figueroa, C.; Granato, G. L.; Dolag, K.; Pierpaoli, E.; Beck, A. M.; Steinborn, Lisa K.; Gaspari, M.

2017-06-01

We analyse the radial pressure profiles, the intracluster medium (ICM) clumping factor and the Sunyaev-Zel'dovich (SZ) scaling relations of a sample of simulated galaxy clusters and groups identified in a set of hydrodynamical simulations based on an updated version of the treepm-SPH GADGET-3 code. Three different sets of simulations are performed: the first assumes non-radiative physics, the others include, among other processes, active galactic nucleus (AGN) and/or stellar feedback. Our results are analysed as a function of redshift, ICM physics, cluster mass and cluster cool-coreness or dynamical state. In general, the mean pressure profiles obtained for our sample of groups and clusters show a good agreement with X-ray and SZ observations. Simulated cool-core (CC) and non-cool-core (NCC) clusters also show a good match with real data. We obtain in all cases a small (if any) redshift evolution of the pressure profiles of massive clusters, at least back to z = 1. We find that the clumpiness of gas density and pressure increases with the distance from the cluster centre and with the dynamical activity. The inclusion of AGN feedback in our simulations generates values for the gas clumping (√{C}_{ρ }˜ 1.2 at R200) in good agreement with recent observational estimates. The simulated YSZ-M scaling relations are in good accordance with several observed samples, especially for massive clusters. As for the scatter of these relations, we obtain a clear dependence on the cluster dynamical state, whereas this distinction is not so evident when looking at the subsamples of CC and NCC clusters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn

Here, we use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev–Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness ‘peakiness’ (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5–1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1–0.5 r500) we see a late-time increase inmore » enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.« less

SEARCHING FOR COOLING SIGNATURES IN STRONG LENSING GALAXY CLUSTERS: EVIDENCE AGAINST BARYONS SHAPING THE MATTER DISTRIBUTION IN CLUSTER CORES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanchard, Peter K.; Bayliss, Matthew B.; McDonald, Michael

2013-07-20

The process by which the mass density profile of certain galaxy clusters becomes centrally concentrated enough to produce high strong lensing (SL) cross-sections is not well understood. It has been suggested that the baryonic condensation of the intracluster medium (ICM) due to cooling may drag dark matter to the cores and thus steepen the profile. In this work, we search for evidence of ongoing ICM cooling in the first large, well-defined sample of SL selected galaxy clusters in the range 0.1 < z < 0.6. Based on known correlations between the ICM cooling rate and both optical emission line luminositymore » and star formation, we measure, for a sample of 89 SL clusters, the fraction of clusters that have [O II]{lambda}{lambda}3727 emission in their brightest cluster galaxy (BCG). We find that the fraction of line-emitting BCGs is constant as a function of redshift for z > 0.2 and shows no statistically significant deviation from the total cluster population. Specific star formation rates, as traced by the strength of the 4000 A break, D{sub 4000}, are also consistent with the general cluster population. Finally, we use optical imaging of the SL clusters to measure the angular separation, R{sub arc}, between the arc and the center of mass of each lensing cluster in our sample and test for evidence of changing [O II] emission and D{sub 4000} as a function of R{sub arc}, a proxy observable for SL cross-sections. D{sub 4000} is constant with all values of R{sub arc}, and the [O II] emission fractions show no dependence on R{sub arc} for R{sub arc} > 10'' and only very marginal evidence of increased weak [O II] emission for systems with R{sub arc} < 10''. These results argue against the ability of baryonic cooling associated with cool core activity in the cores of galaxy clusters to strongly modify the underlying dark matter potential, leading to an increase in SL cross-sections.« less

Deep HST Imaging In 47 Tuc And NGC 6397: Helium-core White Dwarfs In The Core Of NGC 6397

NASA Astrophysics Data System (ADS)

Goldsbury, Ryan; Woodley, K.; Anderson, J.; Dotter, A.; Fahlman, G.; Hansen, B.; Hurley, J.; Kalirai, J.; King, I.; Rich, R. M.; Richer, H.; Shara, M.; Stetson, P.; Zurek, D.

2011-01-01

We present a detailed analysis of a population of helium-core white dwarfs in the core of the Galactic globular cluster NGC 6397. We analyze the radial distribution of these objects compared to the distributions of various other populations of known mass within the this cluster. From this comparison we are able to determine the average mass of the helium-core white dwarfs and their possible binary companions. We find that their distribution is inconsistent with the expected mass range of low-mass white dwarfs, but may be explained by the presence of massive companions to these objects. We also analyze the spectral energy distributions of the He-core white dwarfs to place constraints on the nature of their unresolved partners.

Relativistic coupled-cluster calculations of the 173Yb nuclear quadrupole coupling constant for the YbF molecule

NASA Astrophysics Data System (ADS)

Pašteka, L. F.; Mawhorter, R. J.; Schwerdtfeger, P.

2016-04-01

We report calculations on the q(Yb) electric field gradient (EFG) for the X2Σ+ and A2Π1/2 electronic states of the ytterbium monofluoride (YbF) molecule at the molecular mean-field Dirac-Coulomb-Gaunt as well as scalar-relativistic coupled-cluster levels of theory using large uncontracted basis sets. Vibrational contributions are included in the final results. Our estimated nuclear quadrupole coupling constants of -3386(78) MHz and -2083(153) MHz for the X2Σ+ and A2Π1/2 states of 173YbF are in stark contrast to the only available experimental results (-2050(170) MHz and -1090(160) MHz) respectively, where the only similarity is the difference between the two values. Perturbative triple contributions in the coupled cluster treatment are significant and point towards the necessity to go to higher order in the coupled-cluster treatment in future calculations. We also present density functional calculations which show rather large variations for the Yb EFG with different functionals used; the best result was obtained using the CAM-B3LYP* functional.

Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.« less

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

DOE PAGES

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel; ...

2017-03-08

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.« less

Association schemes perspective of microbubble cluster in ultrasonic fields.

PubMed

Behnia, S; Yahyavi, M; Habibpourbisafar, R

2018-06-01

Dynamics of a cluster of chaotic oscillators on a network are studied using coupled maps. By introducing the association schemes, we obtain coupling strength in the adjacency matrices form, which satisfies Markov matrices property. We remark that in general, the stability region of the cluster of oscillators at the synchronization state is characterized by Lyapunov exponent which can be defined based on the N-coupled map. As a detailed physical example, dynamics of microbubble cluster in an ultrasonic field are studied using coupled maps. Microbubble cluster dynamics have an indicative highly active nonlinear phenomenon, were not easy to be explained. In this paper, a cluster of microbubbles with a thin elastic shell based on the modified Keller-Herring equation in an ultrasonic field is demonstrated in the framework of the globally coupled map. On the other hand, a relation between the microbubble elements is replaced by a relation between the vertices. Based on this method, the stability region of microbubbles pulsations at complete synchronization state has been obtained analytically. In this way, distances between microbubbles as coupling strength play the crucial role. In the stability region, we thus observe that the problem of study of dynamics of N-microbubble oscillators reduce to that of a single microbubble. Therefore, the important parameters of the isolated microbubble such as applied pressure, driving frequency and the initial radius have effective behavior on the synchronization state. Copyright © 2018 Elsevier B.V. All rights reserved.

Quantized orbits in weakly coupled Belousov-Zhabotinsky reactors

NASA Astrophysics Data System (ADS)

Weiss, S.; Deegan, R. D.

2015-06-01

Using numerical and experimental tools, we study the motion of two coupled spiral cores in a light-sensitive variant of the Belousov-Zhabotinsky reaction. Each core resides on a separate two-dimensional domain, and is coupled to the other by light. When both spirals have the same sense of rotation, the cores are attracted to a circular trajectory with a diameter quantized in integer units of the spiral wavelength λ. When the spirals have opposite senses of rotation, the cores are attracted towards different but parallel straight trajectories, separated by an integer multiple of λ/2. We present a model that explains this behavior as the result of a spiral wavefront-core interaction that produces a deterministic displacement of the core and a retardation of its phase.

Group delay spread analysis of coupled-multicore fibers: A comparison between weak and tight bending conditions

NASA Astrophysics Data System (ADS)

Fujisawa, Takeshi; Saitoh, Kunimasa

2017-06-01

Group delay spread of coupled three-core fiber is investigated based on coupled-wave theory. The differences between supermode and discrete core mode models are thoroughly investigated to reveal applicability of both models for specific fiber bending condition. A macrobending with random twisting is taken into account for random modal mixing in the fiber. It is found that for weakly bent condition, both supermode and discrete core mode models are applicable. On the other hand, for strongly bent condition, the discrete core mode model should be used to account for increased differential modal group delay for the fiber without twisting and short correlation length, which were experimentally observed recently. Results presented in this paper indicate the discrete core mode model is superior to the supermode model for the analysis of coupled-multicore fibers for various bent condition. Also, for estimating GDS of coupled-multicore fiber, it is critically important to take into account the fiber bending condition.

Spatial and kinematic distributions of transition populations in intermediate redshift galaxy clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, Steven M.; Wirth, Gregory D.; Bershady, Matthew A., E-mail: crawford@saao.ac.za, E-mail: wirth@keck.hawaii.edu, E-mail: mab@astro.wisc.edu

2014-05-01

We analyze the spatial and velocity distributions of confirmed members in five massive clusters of galaxies at intermediate redshift (0.5 < z < 0.9) to investigate the physical processes driving galaxy evolution. Based on spectral classifications derived from broad- and narrow-band photometry, we define four distinct galaxy populations representing different evolutionary stages: red sequence (RS) galaxies, blue cloud (BC) galaxies, green valley (GV) galaxies, and luminous compact blue galaxies (LCBGs). For each galaxy class, we derive the projected spatial and velocity distribution and characterize the degree of subclustering. We find that RS, BC, and GV galaxies in these clusters havemore » similar velocity distributions, but that BC and GV galaxies tend to avoid the core of the two z ≈ 0.55 clusters. GV galaxies exhibit subclustering properties similar to RS galaxies, but their radial velocity distribution is significantly platykurtic compared to the RS galaxies. The absence of GV galaxies in the cluster cores may explain their somewhat prolonged star-formation history. The LCBGs appear to have recently fallen into the cluster based on their larger velocity dispersion, absence from the cores of the clusters, and different radial velocity distribution than the RS galaxies. Both LCBG and BC galaxies show a high degree of subclustering on the smallest scales, leading us to conclude that star formation is likely triggered by galaxy-galaxy interactions during infall into the cluster.« less

Coupled channels description of the α-decay fine structure

NASA Astrophysics Data System (ADS)

Delion, D. S.; Ren, Zhongzhou; Dumitrescu, A.; Ni, Dongdong

2018-05-01

We review the coupled channels approach of α transitions to excited states. The α-decaying states are identified as narrow outgoing Gamow resonances in an α-daughter potential. The real part of the eigenvalue corresponds to the Q-value, while the imaginary part determines the half of the total α-decay width. We first review the calculations describing transitions to rotational states treated by the rigid rotator model, in even–even, odd-mass and odd–odd nuclei. It is found that the semiclassical method overestimates the branching ratios to excited 4+ for some even–even α-emitters and fails in explaining the unexpected inversion of branching ratios of some odd-mass nuclei, while the coupled-channels results show good agreement with the experimental data. Then, we review the coupled channels method for α-transitions to 2+ vibrational and transitional states. We present the results of the Coherent State Model that describes in a unified way the spectra of vibrational, transitional and rotational nuclei. We evidence general features of the α-decay fine structure, namely the linear dependence between α-intensities and excitation energy, the linear correlation between the strength of the α-core interaction and spectroscopic factor, and the inverse correlation between the nuclear collectivity, given by electromagnetic transitions, and α-clustering.

Crystal structure of Au25(SePh)18 nanoclusters and insights into their electronic, optical and catalytic properties

NASA Astrophysics Data System (ADS)

Song, Yongbo; Zhong, Juan; Yang, Sha; Wang, Shuxin; Cao, Tiantian; Zhang, Jun; Li, Peng; Hu, Daqiao; Pei, Yong; Zhu, Manzhou

2014-10-01

The crystal structure of selenolate-capped Au25(SePh)18- nanoclusters has been unambiguously determined for the first time, and provides a solid basis for a deeper understanding of the structure-property relationships. The selenolate-capped Au25 cluster shows noticeable differences from the previously reported Au25(SCH2CH2Ph)18- counterpart, albeit both share the icosahedral Au13 core and semi-ring Au2(SeR)3 or Au2(SR)3 motifs. Distinct differences in the electronic structure and optical, catalytic and electrochemical properties are revealed by the coupling experiments with density functional theory (TD-DFT) calculations. Overall, the successful determination of the Au25(SePh)18- structure removes any ambiguity about its structure, and comparison with the thiolated Au25 counterpart helps us to further understand how the ligands affect the properties of the nanocluster.The crystal structure of selenolate-capped Au25(SePh)18- nanoclusters has been unambiguously determined for the first time, and provides a solid basis for a deeper understanding of the structure-property relationships. The selenolate-capped Au25 cluster shows noticeable differences from the previously reported Au25(SCH2CH2Ph)18- counterpart, albeit both share the icosahedral Au13 core and semi-ring Au2(SeR)3 or Au2(SR)3 motifs. Distinct differences in the electronic structure and optical, catalytic and electrochemical properties are revealed by the coupling experiments with density functional theory (TD-DFT) calculations. Overall, the successful determination of the Au25(SePh)18- structure removes any ambiguity about its structure, and comparison with the thiolated Au25 counterpart helps us to further understand how the ligands affect the properties of the nanocluster. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr04631e

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

PubMed

Kutateladze, Andrei G; Mukhina, Olga A

2014-09-05

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

Transition from HEU to LEU fuel in Romania`s 14-MW TRIGA reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bretscher, M.M.; Snelgrove, J.L.

1991-12-31

The 14-MW TRIGA steady state reactor (SSR) located in Pitesti, Romania, first went critical in the fall of 1979. Initially, the core configuration for full power operation used 29 fuel clusters each containing a 5 {times} 5 square array of HEU (10 wt%) -- ZrH -- Er (2.8 wt%) fuel-moderator rods (1.295 cm o.d.) clad in Incology. With a total inventory of 35 HEU fuel clusters, burnup considerations required a gradual expansion of the core from 29 to 32 and finally to 35 clusters before the reactor was shut down because of insufficient excess reactivity. At this time each ofmore » the original 29 fuel clusters had an overage {sup 235}U burnup in the range from 50 to 62%. Because of the US policy regarding the export of highly enriched uranium, fresh HEU TRIGA replacement fuel is not available. After a number of safety-related measurements, the SSR is expected to resume full power operation in the near future using a mixed core containing five LEU TRIGA clusters of the same geometry as the original fuel but with fuel-moderator rods containing 45 wt% U (19.7% {sup 235}U enrichment) and 1.1 wt% Er. Rods for 14 additional LEU fuel clusters will be fabricated by General Atomics. In support of the SSR mixed core operation numerous neutronic calculations have been performed. This paper presents some of the results of those calculations.« less

On the axisymmetric stability of heated supersonic round jets

PubMed Central

2016-01-01

We perform an inviscid, spatial stability analysis of supersonic, heated round jets with the mean properties assumed uniform on either side of the jet shear layer, modelled here via a cylindrical vortex sheet. Apart from the hydrodynamic Kelvin–Helmholtz (K–H) wave, the spatial growth rates of the acoustically coupled supersonic and subsonic instability waves are computed for axisymmetric conditions (m=0) to analyse their role on the jet stability, under increased heating and compressibility. With the ambient stationary, supersonic instability waves may exist for any jet Mach number Mj≥2, whereas the subsonic instability waves, in addition, require the core-to-ambient flow temperature ratio Tj/To>1. We show, for moderately heated jets at Tj/To>2, the acoustically coupled instability modes, once cut on, to govern the overall jet stability with the K–H wave having disappeared into the cluster of acoustic modes. Sufficiently high heating makes the subsonic modes dominate the jet near-field dynamics, whereas the supersonic instability modes form the primary Mach radiation at far field. PMID:27274691

Study of cluster behavior in the riser of CFB by the DSMC method

NASA Astrophysics Data System (ADS)

Liu, H. P.; Liu, D. Y.; Liu, H.

2010-03-01

The flow behaviors of clusters in the riser of a two-dimensional (2D) circulating fluidized bed was numerically studied based on the Euler-Lagrangian approach. Gas turbulence was modeled by means of Large Eddy Simulation (LES). Particle collision was modeled by means of the direct simulation Monte Carlo (DSMC) method. Clusters' hydrodynamic characteristics are obtained using a cluster identification method proposed by sharrma et al. (2000). The descending clusters near the wall region and the up- and down-flowing clusters in the core were studied separately due to their different flow behaviors. The effects of superficial gas velocity on the cluster behavior were analyzed. Simulated results showed that near wall clusters flow downward and the descent velocity is about -45 cm/s. The occurrence frequency of the up-flowing cluster is higher than that of down-flowing cluster in the core of riser. With the increase of superficial gas velocity, the solid concentration and occurrence frequency of clusters decrease, while the cluster axial velocity increase. Simulated results were in agreement with experimental data. The stochastic method used in present paper is feasible for predicting the cluster flow behavior in CFBs.

Ligand-protected gold clusters: the structure, synthesis and applications

NASA Astrophysics Data System (ADS)

Pichugina, D. A.; Kuz'menko, N. E.; Shestakov, A. F.

2015-11-01

Modern concepts of the structure and properties of atomic gold clusters protected by thiolate, selenolate, phosphine and phenylacetylene ligands are analyzed. Within the framework of the superatom theory, the 'divide and protect' approach and the structure rule, the stability and composition of a cluster are determined by the structure of the cluster core, the type of ligands and the total number of valence electrons. Methods of selective synthesis of gold clusters in solution and on the surface of inorganic composites based, in particular, on the reaction of Aun with RS, RSe, PhC≡C, Hal ligands or functional groups of proteins, on stabilization of clusters in cavities of the α-, β and γ-cyclodextrin molecules (Au15 and Au25) and on anchorage to a support surface (Au25/SiO2, Au20/C, Au10/FeOx) are reviewed. Problems in this field are also discussed. Among the methods for cluster structure prediction, particular attention is given to the theoretical approaches based on the density functional theory (DFT). The structures of a number of synthesized clusters are described using the results obtained by X-ray diffraction analysis and DFT calculations. A possible mechanism of formation of the SR(AuSR)n 'staple' units in the cluster shell is proposed. The structure and properties of bimetallic clusters MxAunLm (M=Pd, Pt, Ag, Cu) are discussed. The Pd or Pt atom is located at the centre of the cluster, whereas Ag and Cu atoms form bimetallic compounds in which the heteroatom is located on the surface of the cluster core or in the 'staple' units. The optical properties, fluorescence and luminescence of ligand-protected gold clusters originate from the quantum effects of the Au atoms in the cluster core and in the oligomeric SR(AuSR)x units in the cluster shell. Homogeneous and heterogeneous reactions catalyzed by atomic gold clusters are discussed in the context of the reaction mechanism and the nature of the active sites. The bibliography includes 345 references.

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Present Status and Extensions of the Monte Carlo Performance Benchmark

NASA Astrophysics Data System (ADS)

Hoogenboom, J. Eduard; Petrovic, Bojan; Martin, William R.

2014-06-01

The NEA Monte Carlo Performance benchmark started in 2011 aiming to monitor over the years the abilities to perform a full-size Monte Carlo reactor core calculation with a detailed power production for each fuel pin with axial distribution. This paper gives an overview of the contributed results thus far. It shows that reaching a statistical accuracy of 1 % for most of the small fuel zones requires about 100 billion neutron histories. The efficiency of parallel execution of Monte Carlo codes on a large number of processor cores shows clear limitations for computer clusters with common type computer nodes. However, using true supercomputers the speedup of parallel calculations is increasing up to large numbers of processor cores. More experience is needed from calculations on true supercomputers using large numbers of processors in order to predict if the requested calculations can be done in a short time. As the specifications of the reactor geometry for this benchmark test are well suited for further investigations of full-core Monte Carlo calculations and a need is felt for testing other issues than its computational performance, proposals are presented for extending the benchmark to a suite of benchmark problems for evaluating fission source convergence for a system with a high dominance ratio, for coupling with thermal-hydraulics calculations to evaluate the use of different temperatures and coolant densities and to study the correctness and effectiveness of burnup calculations. Moreover, other contemporary proposals for a full-core calculation with realistic geometry and material composition will be discussed.

Investigations of protostellar outflow launching and gas entrainment: Hydrodynamic simulations and molecular emission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Offner, Stella S. R.; Arce, Héctor G., E-mail: stella.offner@yale.edu

2014-03-20

We investigate protostellar outflow evolution, gas entrainment, and star formation efficiency using radiation-hydrodynamic simulations of isolated, turbulent low-mass cores. We adopt an X-wind launching model, in which the outflow rate is coupled to the instantaneous protostellar accretion rate and evolution. We vary the outflow collimation angle from θ = 0.01-0.1 and find that even well-collimated outflows effectively sweep up and entrain significant core mass. The Stage 0 lifetime ranges from 0.14-0.19 Myr, which is similar to the observed Class 0 lifetime. The star formation efficiency of the cores spans 0.41-0.51. In all cases, the outflows drive strong turbulence in themore » surrounding material. Although the initial core turbulence is purely solenoidal by construction, the simulations converge to approximate equipartition between solenoidal and compressive motions due to a combination of outflow driving and collapse. When compared to simulation of a cluster of protostars, which is not gravitationally centrally condensed, we find that the outflows drive motions that are mainly solenoidal. The final turbulent velocity dispersion is about twice the initial value of the cores, indicating that an individual outflow is easily able to replenish turbulent motions on sub-parsec scales. We post-process the simulations to produce synthetic molecular line emission maps of {sup 12}CO, {sup 13}CO, and C{sup 18}O and evaluate how well these tracers reproduce the underlying mass and velocity structure.« less

On M31's Double Nucleus

NASA Technical Reports Server (NTRS)

Miller, R. H.; Smith, B. F.; Cuzzi, Jeffrey (Technical Monitor)

1995-01-01

The recent HST discovery of a double nucleus in M31 brings into prominence the question how long, a second core can survive within the nuclear regions of a galaxy. Physical conditions in the nuclear regions of a typical galaxy help a second core survive, so it can orbit for a long time. possibly for thousands of orbits. Given the nearly uniform mass density in a core, tidal forces within a core radius are compressive in all directions and help the core survive the buffeting it takes as it orbits near the center of the galaxy. We use numerical experiments to illustrate these physical principles. Our method allows the full power of the experiments to be concentrated on the nuclear regions. Spatial resolution of about 0.2 pc comfortably resolves detail within the 1.4 parsec core radius of the second, but brighter core (P1) in M31. We use these physical principles to discuss M31's double nucleus, but they apply to other galaxies as well. and in other astronomical situations such as dumbbell galaxies. galaxies orbiting near the center of a galaxy cluster, and subclustering in galaxy clusters. The experiments also illustrate that galaxy encounters and merging are quite sensitive to external tidal forces, such as those produced by the gravitational potential in a group or cluster of galaxies.

Magnetic properties and core electron binding energies of liquid water

NASA Astrophysics Data System (ADS)

Galamba, N.; Cabral, Benedito J. C.

2018-01-01

The magnetic properties and the core and inner valence electron binding energies of liquid water are investigated. The adopted methodology relies on the combination of molecular dynamics and electronic structure calculations. Born-Oppenheimer molecular dynamics with the Becke and Lee-Yang-Parr functionals for exchange and correlation, respectively, and includes an empirical correction (BLYP-D3) functional and classical molecular dynamics with the TIP4P/2005-F model were carried out. The Keal-Tozer functional was applied for predicting magnetic shielding and spin-spin coupling constants. Core and inner valence electron binding energies in liquid water were calculated with symmetry adapted cluster-configuration interaction. The relationship between the magnetic shielding constant σ(17O), the role played by the oxygen atom as a proton acceptor and donor, and the tetrahedral organisation of liquid water are investigated. The results indicate that the deshielding of the oxygen atom in water is very dependent on the order parameter (q) describing the tetrahedral organisation of the hydrogen bond network. The strong sensitivity of magnetic properties on changes of the electronic density in the nuclei environment is illustrated by a correlation between σ(17O) and the energy gap between the 1a1[O1s] (core) and the 2a1 (inner valence) orbitals of water. Although several studies discussed the eventual connection between magnetic properties and core electron binding energies, such a correlation could not be clearly established. Here, we demonstrate that for liquid water this correlation exists although involving the gap between electron binding energies of core and inner valence orbitals.

Probing dark matter with star clusters: a dark matter core in the ultra-faint dwarf Eridanus II

NASA Astrophysics Data System (ADS)

Contenta, Filippo; Balbinot, Eduardo; Petts, James A.; Read, Justin I.; Gieles, Mark; Collins, Michelle L. M.; Peñarrubia, Jorge; Delorme, Maxime; Gualandris, Alessia

2018-05-01

We present a new technique to probe the central dark matter (DM) density profile of galaxies that harnesses both the survival and observed properties of star clusters. As a first application, we apply our method to the `ultra-faint' dwarf Eridanus II (Eri II) that has a lone star cluster ˜45 pc from its centre. Using a grid of collisional N-body simulations, incorporating the effects of stellar evolution, external tides and dynamical friction, we show that a DM core for Eri II naturally reproduces the size and the projected position of its star cluster. By contrast, a dense cusped galaxy requires the cluster to lie implausibly far from the centre of Eri II (>1 kpc), with a high inclination orbit that must be observed at a particular orbital phase. Our results, therefore, favour a DM core. This implies that either a cold DM cusp was `heated up' at the centre of Eri II by bursty star formation or we are seeing an evidence for physics beyond cold DM.

Formation, Fragmentation, and Structures of YxOy(+) (x = 1, 2, y = 1 - 13) Clusters: Collision-Induced Dissociation Experiments and Density Functional Theory Calculations.

PubMed

Glodić, Pavle; Mihesan, Claudia; Klontzas, Emmanouel; Velegrakis, Michalis

2016-02-25

Yttrium oxide cluster cations have been experimentally and theoretically studied. We produced small, oxygen-rich yttrium oxide clusters, YxOy+ (x = 1, 2, y = 1–13), by mixing the laser-produced yttrium plasma with a molecular oxygen jet. Mass spectrometry measurements showed that the most stable clusters are those consisting of one yttrium and an odd number of oxygen atoms of the form YO(+)(2k+1) (k = 0–6). Additionally, we performed collision induced dissociation experiments, which indicated that the loss of pairs of oxygen atoms down to a YO+ core is the preferred fragmentation channel for all clusters investigated. Furthermore, we conduct DFT calculations and we obtained two types of low-energy structures: one containing an yttrium cation core and the other composed of YO+ core and O2 ligands, being in agreement with the observed fragmentation pattern. Finally, from the fragmentation studies, total collision cross sections are obtained and these are compared with geometrical cross sections of the calculated structures.

Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer.

PubMed

Magoulas, Ilias; Bauman, Nicholas P; Shen, Jun; Piecuch, Piotr

2018-02-08

The performance of coupled-cluster approaches with higher-than-doubly excited clusters, including the CCSD(T), CCSD(2) T , CR-CC(2,3), CCSD(TQ), and CR-CC(2,4) corrections to CCSD, the active-space CCSDt, CCSDtq, and CCSDTq methods, and the CC(t;3), CC(t,q;3), CC(t,q;3,4), and CC(q;4) corrections to CCSDt, CCSDtq, and CCSDTq resulting from the CC(P;Q) formalism, in reproducing the CCSDT and CCSDTQ potential energy curves and vibrational term values characterizing Be 2 in its electronic ground state is assessed. The correlation-consistent aug-cc-pVnZ and aug-cc-pCVnZ (n = T and Q) basis sets are employed. Among the CCSD-based corrections, the completely renormalized CR-CC(2,3) and CR-CC(2,4) approaches perform the best. The CC(t;3), CC(t,q;3), CC(t,q;3,4), and CC(q;4) methods, especially CC(t;3) and CC(q;4), outperform other employed approaches in reproducing the CCSDT and CCSDTQ data. Composite schemes combining the all-electron CCSDT calculations extrapolated to the complete basis set limit with the frozen-core CC(q;4) and CCSDTQ computations using the aug-cc-pVTZ basis to account for connected quadruple excitations reproduce the latest experimental vibrational spectrum of Be 2 to within 4-5 cm -1 , when the vibrational spacings are examined, with typical errors being below 1-2 cm -1 . The resulting binding energies and equilibrium bond lengths agree with their experimentally derived counterparts to within ∼10 cm -1 and 0.01 Å.

Compact X-ray Binary Re-creation in Core Collapse: NGC 6397

NASA Astrophysics Data System (ADS)

Grindlay, J. E.; Bogdanov, S.; van den Berg, M.; Heinke, C.

2005-12-01

We report new Chandra observations of the core collapsed globular cluster NGC 6397. In comparison with our original Chandra observations (Grindlay et al 2001, ApJ, 563, L53), we now detect some 30 sources (vs. 20) in the cluster. A new CV is confirmed, though new HST/ACS optical observations (see Cohn et al this meeting) show that one of the original CV candidates is a background AGN). The 9 CVs (optically identified) yet only one MSP and one qLMXB suggest either a factor of 7 reduction in NSs/WDs vs. what we find in 47Tuc (see Grindlay 2005, Proc. Cefalu Conf. on Interacting Binaries) or that CVs are produced in the core collapse. The possible second MSP with main sequence companion, source U18 (see Grindlay et al 2001) is similar in its X-ray and optical properties to MSP-W in 47Tuc, which must have swapped its binary companion. Together with the one confirmed (radio) MSP in NGC 6397, with an evolved main sequence secondary, the process of enhanced partner swapping in the high stellar density of core collapse is implicated. At the same time, main sequence - main sequence binaries (active binaries) are depleted in the cluster core, presumably by "binary burning" in core collapse. These binary re-creation and destruction mechanisms in core collapse have profound implications for binary evolution and mergers in globulars that have undergone core collapse.

Magnetohydrodynamic Convection in the Outer Core and its Geodynamic Consequences

NASA Technical Reports Server (NTRS)

Kuang, Weijia; Chao, Benjamin F.; Fang, Ming

2004-01-01

The Earth's fluid outer core is in vigorous convection through much of the Earth's history. In addition to generating and maintaining Earth s time-varying magnetic field (geodynamo), the core convection also generates mass redistribution in the core and a dynamical pressure field on the core-mantle boundary (CMB). All these shall result in various core-mantle interactions, and contribute to surface geodynamic observables. For example, electromagnetic core-mantle coupling arises from finite electrically conducting lower mantle; gravitational interaction occurs between the cores and the heterogeneous mantle; mechanical coupling may also occur when the CMB topography is aspherical. Besides changing the mantle rotation via the coupling torques, the mass-redistribution in the core shall produce a spatial-temporal gravity anomaly. Numerical modeling of the core dynamical processes contributes in several geophysical disciplines. It helps explain the physical causes of surface geodynamic observables via space geodetic techniques and other means, e.g. Earth's rotation variation on decadal time scales, and secular time-variable gravity. Conversely, identification of the sources of the observables can provide additional insights on the dynamics of the fluid core, leading to better constraints on the physics in the numerical modeling. In the past few years, our core dynamics modeling efforts, with respect to our MoSST model, have made significant progress in understanding individual geophysical consequences. However, integrated studies are desirable, not only because of more mature numerical core dynamics models, but also because of inter-correlation among the geophysical phenomena, e.g. mass redistribution in the outer core produces not only time-variable gravity, but also gravitational core-mantle coupling and thus the Earth's rotation variation. They are expected to further facilitate multidisciplinary studies of core dynamics and interactions of the core with other components of the Earth.

A detection of wobbling brightest cluster galaxies within massive galaxy clusters

NASA Astrophysics Data System (ADS)

Harvey, David; Courbin, F.; Kneib, J. P.; McCarthy, Ian G.

2017-12-01

A striking signal of dark matter beyond the standard model is the existence of cores in the centre of galaxy clusters. Recent simulations predict that a brightest cluster galaxy (BCG) inside a cored galaxy cluster will exhibit residual wobbling due to previous major mergers, long after the relaxation of the overall cluster. This phenomenon is absent with standard cold dark matter where a cuspy density profile keeps a BCG tightly bound at the centre. We test this hypothesis using cosmological simulations and deep observations of 10 galaxy clusters acting as strong gravitational lenses. Modelling the BCG wobble as a simple harmonic oscillator, we measure the wobble amplitude, Aw, in the BAHAMAS suite of cosmological hydrodynamical simulations, finding an upper limit for the cold dark matter paradigm of Aw < 2 kpc at the 95 per cent confidence limit. We carry out the same test on the data finding a non-zero amplitude of A_w=11.82^{+7.3}_{-3.0} kpc, with the observations dis-favouring Aw = 0 at the 3σ confidence level. This detection of BCG wobbling is evidence for a dark matter core at the heart of galaxy clusters. It also shows that strong lensing models of clusters cannot assume that the BCG is exactly coincident with the large-scale halo. While our small sample of galaxy clusters already indicates a non-zero Aw, with larger surveys, e.g. Euclid, we will be able to not only confirm the effect but also to use it to determine whether or not the wobbling finds its origin in new fundamental physics or astrophysical process.

New cataclysmic variables and other exotic binaries in the globular cluster 47 Tucanae*

NASA Astrophysics Data System (ADS)

Rivera Sandoval, L. E.; van den Berg, M.; Heinke, C. O.; Cohn, H. N.; Lugger, P. M.; Anderson, J.; Cool, A. M.; Edmonds, P. D.; Wijnands, R.; Ivanova, N.; Grindlay, J. E.

2018-04-01

We present 22 new (+3 confirmed) cataclysmic variables (CVs) in the non-core-collapsed globular cluster 47 Tucanae (47 Tuc). The total number of CVs in the cluster is now 43, the largest sample in any globular cluster so far. For the identifications we used near-ultraviolet (NUV) and optical images from the Hubble Space Telescope, in combination with X-ray results from the Chandra X-ray Observatory. This allowed us to build the deepest NUV CV luminosity function of the cluster to date. We found that the CVs in 47 Tuc are more concentrated towards the cluster centre than the main-sequence turn-off stars. We compared our results to the CV populations of the core-collapsed globular clusters NGC 6397 and NGC 6752. We found that 47 Tuc has fewer bright CVs per unit mass than those two other clusters. That suggests that dynamical interactions in core-collapsed clusters play a major role creating new CVs. In 47 Tuc, the CV population is probably dominated by primordial and old dynamically formed systems. We estimated that the CVs in 47 Tuc have total masses of ˜1.4 M⊙. We also found that the X-ray luminosity function of the CVs in the three clusters is bimodal. Additionally, we discuss a possible double degenerate system and an intriguing/unclassified object. Finally, we present four systems that could be millisecond pulsar companions given their X-ray and NUV/optical colours. For one of them we present very strong evidence for being an ablated companion. The other three could be CO or He white dwarfs.

First estimates of the fundamental parameters of the relatively bright Galactic open cluster NGC 5288

NASA Astrophysics Data System (ADS)

Piatti, Andrés E.; Clariá, Juan J.; Ahumada, Andrea V.

2006-04-01

In this paper we present charge-coupled device (CCD) images in the Johnson B and V and Kron-Cousins I passbands for the previously unstudied open cluster NGC 5288. The sample consists of 15688 stars reaching down to V~ 20.5. The cluster appears to have a relatively small but conspicuous nucleus and a low-density extended coronal region. Star counts carried out in 25 × 25 pixel2 boxes distributed throughout the whole observed field allowed us to estimate the angular core and corona radii as ~1.3 and 6.3arcmin, respectively. Our analysis suggests that NGC 5288 is moderately young and probably more metal-rich than the Sun. Adopting the theoretical metal content Z= 0.040, which provides the best global fit, we derive an age of 130+40-30Myr. Simultaneously, we have obtained colour excesses E(B-V) = 0.75 and E(V-I) = 0.95 and an apparent distance modulus V-MV= 14.00. The law of interstellar extinction in the cluster direction is found to be normal. NGC 5288 is located at 2.1 +/- 0.3kpc from the Sun beyond the Carina spiral feature and ~7.4kpc from the Galactic Centre. The cluster metallicity seems to be compatible with the cluster position in the Galaxy, given the recognized radial abundance gradient in the disc. For the first time, in this paper we determine the basic parameters for the open cluster NGC 5381, situated in the same direction as NGC 5288. This determination was reached by using CCD VI data published almost a decade ago by Pietrzyński et al. (1997) for NGC 5381. The properties of some open clusters aligned along the line of sight of NGC 5288 are examined. The properties of clusters of similar ages to NGC 5288 are also looked into. Evidence is presented that these did not form mainly along the spiral arms but rather in the thin Galactic disc (Z~+/-100pc).

Complete characterization of the stability of cluster synchronization in complex dynamical networks.

PubMed

Sorrentino, Francesco; Pecora, Louis M; Hagerstrom, Aaron M; Murphy, Thomas E; Roy, Rajarshi

2016-04-01

Synchronization is an important and prevalent phenomenon in natural and engineered systems. In many dynamical networks, the coupling is balanced or adjusted to admit global synchronization, a condition called Laplacian coupling. Many networks exhibit incomplete synchronization, where two or more clusters of synchronization persist, and computational group theory has recently proved to be valuable in discovering these cluster states based on the topology of the network. In the important case of Laplacian coupling, additional synchronization patterns can exist that would not be predicted from the group theory analysis alone. Understanding how and when clusters form, merge, and persist is essential for understanding collective dynamics, synchronization, and failure mechanisms of complex networks such as electric power grids, distributed control networks, and autonomous swarming vehicles. We describe a method to find and analyze all of the possible cluster synchronization patterns in a Laplacian-coupled network, by applying methods of computational group theory to dynamically equivalent networks. We present a general technique to evaluate the stability of each of the dynamically valid cluster synchronization patterns. Our results are validated in an optoelectronic experiment on a five-node network that confirms the synchronization patterns predicted by the theory.

Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors

NASA Astrophysics Data System (ADS)

Bokhan, Denis; Trubnikov, Dmitrii N.; Perera, Ajith; Bartlett, Rodney J.

2018-04-01

An explicitly-correlated method of calculation of excited states with spin-orbit couplings, has been formulated and implemented. Developed approach utilizes left and right eigenvectors of equation-of-motion coupled-cluster model, which is based on the linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] method. The spin-orbit interactions are introduced by using the spin-orbit mean field (SOMF) approximation of the Breit-Pauli Hamiltonian. Numerical tests for several atoms and molecules show good agreement between explicitly-correlated results and the corresponding values, calculated in complete basis set limit (CBS); the highly-accurate excitation energies can be obtained already at triple- ζ level.

Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory

NASA Astrophysics Data System (ADS)

Qiu, Yiheng; Henderson, Thomas M.; Scuseria, Gustavo E.

2017-05-01

Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly correlated systems. Coupled cluster theory, in contrast, does the opposite. It therefore seems natural to combine the two so as to describe both strong and weak correlations with high accuracy in a relatively black-box manner. Combining the two approaches, however, is made more difficult by the fact that the two techniques are formulated very differently. In earlier work, we showed how to write spin-projected Hartree-Fock in a coupled-cluster-like language. Here, we fill in the gaps in that earlier work. Further, we combine projected Hartree-Fock and coupled cluster theory in a variational formulation and show how the combination performs for the description of the Hubbard Hamiltonian and for several small molecular systems.

Mitochondrial filaments and clusters as intracellular power-transmitting cables.

PubMed

Skulachev, V P

2001-01-01

Mitochondria exist in two interconverting forms; as small isolated particles, and as extended filaments, networks or clusters connected with intermitochondrial junctions. Extended mitochondria can represent electrically united systems, which can facilitate energy delivery from the cell periphery to the cell core and organize antioxidant defence of the cell interior when O2 is consumed by mitochondrial clusters near the the outer cell membrane, and protonic potential is transmitted to the cell core mitochondria to form ATP. As to small mitochondria, they might represent a transportable form of these organelles.

Global cluster synchronization in nonlinearly coupled community networks with heterogeneous coupling delays.

PubMed

Tseng, Jui-Pin

2017-02-01

This investigation establishes the global cluster synchronization of complex networks with a community structure based on an iterative approach. The units comprising the network are described by differential equations, and can be non-autonomous and involve time delays. In addition, units in the different communities can be governed by different equations. The coupling configuration of the network is rather general. The coupling terms can be non-diffusive, nonlinear, asymmetric, and with heterogeneous coupling delays. Based on this approach, both delay-dependent and delay-independent criteria for global cluster synchronization are derived. We implement the present approach for a nonlinearly coupled neural network with heterogeneous coupling delays. Two numerical examples are given to show that neural networks can behave in a variety of new collective ways under the synchronization criteria. These examples also demonstrate that neural networks remain synchronized in spite of coupling delays between neurons across different communities; however, they may lose synchrony if the coupling delays between the neurons within the same community are too large, such that the synchronization criteria are violated. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.

PubMed

de Ruiter, Graham; Thompson, Niklas B; Lionetti, Davide; Agapie, Theodor

2015-11-11

A series of tetranuclear iron complexes displaying a site-differentiated metal center was synthesized. Three of the metal centers are coordinated to our previously reported ligand, based on a 1,3,5-triarylbenzene motif with nitrogen and oxygen donors. The fourth (apical) iron center is coordinatively unsaturated and appended to the trinuclear core through three bridging pyrazolates and an interstitial μ4-oxide moiety. Electrochemical studies of complex [LFe3(PhPz)3OFe][OTf]2 revealed three reversible redox events assigned to the Fe(II)4/Fe(II)3Fe(III) (-1.733 V), Fe(II)3Fe(III)/Fe(II)2Fe(III)2 (-0.727 V), and Fe(II)2Fe(III)2/Fe(II)Fe(III)3 (0.018 V) redox couples. Combined Mössbauer and crystallographic studies indicate that the change in oxidation state is exclusively localized at the triiron core, without changing the oxidation state of the apical metal center. This phenomenon is assigned to differences in the coordination environment of the two metal sites and provides a strategy for storing electron and hole equivalents without affecting the oxidation state of the coordinatively unsaturated metal. The presence of a ligand-binding site allowed the effect of redox modulation on nitric oxide activation by an Fe(II) metal center to be studied. Treatment of the clusters with nitric oxide resulted in binding of NO to the apical iron center, generating a {FeNO}(7) moiety. As with the NO-free precursors, the three reversible redox events are localized at the iron centers distal from the NO ligand. Altering the redox state of the triiron core resulted in significant change in the NO stretching frequency, by as much as 100 cm(-1). The increased activation of NO is attributed to structural changes within the clusters, in particular, those related to the interaction of the metal centers with the interstitial atom. The differences in NO activation were further shown to lead to differential reactivity, with NO disproportionation and N2O formation performed by the more electron-rich cluster.

Agricultural Business and Management Materials for Agricultural Education Programs. Core Agricultural Education Curriculum, Central Cluster.

ERIC Educational Resources Information Center

Illinois Univ., Urbana. Office of Agricultural Communications and Education.

This curriculum guide contains 5 teaching units for 44 agricultural business and management cluster problem areas. These problem areas have been selected as suggested areas of study to be included in a core curriculum for secondary students enrolled in an agricultural education program. The five units are as follows: (1) agribusiness operation and…

Einstein x ray observations of the core of the Shapley Supercluster in northern Centaurus

NASA Technical Reports Server (NTRS)

Breen, Jeffrey; Raychaudhury, Somak; Forman, William; Jones, Christine

1994-01-01

We present Einstein x ray observations of the core of the Shapley Supercluster, one of the richest and densest known mass concentrations in the local (z less than 0.1) universe. We used Imaging Proportional Counter (IPC) observations supplemented with data from the Einstein Slew Survey to determine the locations and structure of mass concentrations in the region. An x ray map composed of IPC observations of the central (10 deg x 10 deg) region of the Shapley Supercluster is presented. We present evidence that the X-ray clusters observed within 5 deg of the core of the supercluster are on average brighter than those of corresponding richness class distributed throughout the sky. However, we measure no significant difference in the galaxy formation efficiency of these cluster of galaxies compared to other, more isolated clusters. We also find one previously uncataloged cluster-sized mass concentration in the core of the Shapley Supercluster. This new cluster, 'SC 1327-312', is relatively x ray bright (F(sub x) = 1.1 + or - 0.2 x 10(exp -11) erg sec(exp -1) cm(exp -2)) and L(sub x) = 1.1 + or - 0.2 x 10(exp 44) erg sec(exp -1) within 10 minutes, assuming z = 0.0477, H(sub 0) = 50, q(sub 0) = 0). As SC 1327-312 lies well within an Abell radius of the richness R = 4 cluster Shapley 8 (A3558), we suggest it may contribute to an artificially high galaxy count and richness classification for shapley 8. From slew data, we estimate an x ray luminosity for Shapley 8 which is just half the mean luminosity of the four other R = 4 clusters observed by the IPC, further suggesting the richness classification to be an overestimate.

Differences in community composition of bacteria in four glaciers in western China

NASA Astrophysics Data System (ADS)

An, L. Z.; Chen, Y.; Xiang, S.-R.; Shang, T.-C.; Tian, L.-D.

2010-06-01

Microbial community patterns vary in glaciers worldwide, presenting unique responses to global climatic and environmental changes. Four bacterial clone libraries were established by 16S rRNA gene amplification from four ice layers along the 42-m-long ice core MuztB drilled from the Muztag Ata Glacier. A total of 151 bacterial sequences obtained from the ice core MuztB were phylogenetically compared with the 71 previously reported sequences from three ice cores extracted from ice caps Malan, Dunde, and Puruogangri. Six phylogenetic clusters Flavisolibacter, Flexibacter (Bacteroidetes), Acinetobacter, Enterobacter (Gammaproteobacteria), Planococcus/Anoxybacillus (Firmicutes), and Propionibacter/Luteococcus (Actinobacteria) frequently occurred along the Muztag Ata Glacier profile, and their proportion varied by seasons. Sequence analysis showed that most of the sequences from the ice core clustered with those from cold environments, and the sequence clusters from the same glacier more closely grouped together than those from the geographically isolated glaciers. Moreover, bacterial communities from the same location or similarly aged ice formed a cluster, and were clearly separate from those from other geographically isolated glaciers. In summary, the findings provide preliminary evidence of zonal distribution of microbial community, and suggest biogeography of microorganisms in glacier ice.

Differences in community composition of bacteria in four deep ice sheets in western China

NASA Astrophysics Data System (ADS)

An, L.; Chen, Y.; Xiang, S.-R.; Shang, T.-C.; Tian, L.-De

2010-02-01

Microbial community patterns vary in glaciers world wide, presenting unique responses to global climatic and environmental changes. Four bacterial clone libraries were established by 16S rRNA gene amplification from four ice layers along the 42-m-long ice core MuztB drilled from the Muztag Ata Glacier. A total of 152 bacterial sequences obtained from the ice core MuztB were phylogenetically compared with the 71 previously reported sequences from three ice cores extracted from ice caps Malan, Dunde, and Puruoganri. The six functional clusters Flavisolibacter, Flexibacter (Bacteroidetes), Acinetobacter, Enterobacter (Gammaproteobacteria), Planococcus/Anoxybacillus (Firmicutes), and Propionibacter/Luteococcus (Actinobacteria) frequently occurred along the Muztag Ata Glacier profile. Sequence analysis showed that most of the sequences from the ice core clustered with those from cold environments, and the sequences from the same glacier formed a distinct cluster. Moreover, bacterial communities from the same location or similarly aged ice formed a cluster, and were clearly separate from those from other geographically isolated glaciers. In a summary, the findings provide preliminary evidence of zone distribution of microbial community, support our hypothesis of the spatial and temporal biogeography of microorganisms in glacial ice.

X-ray and Sunyaev-Zel'dovich Effect Measurements of the Gas Mass Fraction in Galaxy Clusters

NASA Technical Reports Server (NTRS)

LaRoque, Samuel J.; Bonamente, Massimiliano; Carlstrom, John E.; Joy, Marshall K.; Nagai, Daisuke; Reese, Erik D.; Dawson, Kyle S.

2006-01-01

We present gas mass fractions of 38 massive galaxy clusters spanning redshifts from 0.14 to 0.89, derived from Chandra X-ray data and OVRO/BIMA interferometric Sunyaev-Zel' dovich Effect (SZE) measurements. We use three models for the gas distribution: (1) an isothermal Beta-model fit jointly to the X-ray data at radii beyond 100 kpc and to all of the SZE data, (2) a nonisothermal double Beta-model fit jointly to all of the X-ray and SZE data, and (3) an isothermal Beta-model fit only to the SZE spatial data. We show that the simple isothermal model well characterizes the intracluster medium (ICM) outside of the cluster core, and provides consistently good fits to clusters spanning a wide range of morphological properties. The agreement in the results shows that the core can be satisfactorily accounted for by either excluding the core in fits to the X-ray data (the 100 kpc-cut model) or modeling the intracluster gas with a non-isothermal double Beta-model. We find that the SZE is largely insensitive to structure in the core.

How do binary separations depend on cloud initial conditions?

NASA Astrophysics Data System (ADS)

Sterzik, M. F.; Durisen, R. H.; Zinnecker, H.

2003-11-01

We explore the consequences of a star formation scenario in which the isothermal collapse of a rotating, star-forming core is followed by prompt fragmentation into a cluster containing a small number (N <~ 10) of protostars and/or substellar objects. The subsequent evolution of the cluster is assumed to be dominated by dynamical interactions among cluster members, and this establishes the final properties of the binary and multiple systems. The characteristic scale of the fragmenting core is determined by the cloud initial conditions (such as temperature, angular momentum and mass), and we are able to relate the separation distributions of the final binary population to the properties of the star-forming core. Because the fragmentation scale immediately after the isothermal collapse is typically a factor of 3-10 too large, we conjecture that fragmentation into small clusters followed by dynamical evolution is required to account for the observed binary separation distributions. Differences in the environmental properties of the cores are expected to imprint differences on the characteristic dimensions of the binary systems they form. Recent observations of hierarchical systems, differences in binary characteristics among star forming regions and systematic variations in binary properties with primary mass can be interpreted in the context of this scenario.

STAR FORMATION AND SUPERCLUSTER ENVIRONMENT OF 107 NEARBY GALAXY CLUSTERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cohen, Seth A.; Hickox, Ryan C.; Wegner, Gary A.

We analyze the relationship between star formation (SF), substructure, and supercluster environment in a sample of 107 nearby galaxy clusters using data from the Sloan Digital Sky Survey. Previous works have investigated the relationships between SF and cluster substructure, and cluster substructure and supercluster environment, but definitive conclusions relating all three of these variables has remained elusive. We find an inverse relationship between cluster SF fraction ( f {sub SF}) and supercluster environment density, calculated using the Galaxy luminosity density field at a smoothing length of 8 h {sup −1} Mpc (D8). The slope of f {sub SF} versus D8more » is −0.008 ± 0.002. The f {sub SF} of clusters located in low-density large-scale environments, 0.244 ± 0.011, is higher than for clusters located in high-density supercluster cores, 0.202 ± 0.014. We also divide superclusters, according to their morphology, into filament- and spider-type systems. The inverse relationship between cluster f {sub SF} and large-scale density is dominated by filament- rather than spider-type superclusters. In high-density cores of superclusters, we find a higher f {sub SF} in spider-type superclusters, 0.229 ± 0.016, than in filament-type superclusters, 0.166 ± 0.019. Using principal component analysis, we confirm these results and the direct correlation between cluster substructure and SF. These results indicate that cluster SF is affected by both the dynamical age of the cluster (younger systems exhibit higher amounts of SF); the large-scale density of the supercluster environment (high-density core regions exhibit lower amounts of SF); and supercluster morphology (spider-type superclusters exhibit higher amounts of SF at high densities).« less

The metallicity of the intracluster medium over cosmic time: further evidence for early enrichment

DOE PAGES

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn; ...

2017-08-26

Here, we use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev–Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness ‘peakiness’ (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5–1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1–0.5 r500) we see a late-time increase inmore » enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.« less

CdSe/AsS core-shell quantum dots: preparation and two-photon fluorescence.

PubMed

Wang, Junzhong; Lin, Ming; Yan, Yongli; Wang, Zhe; Ho, Paul C; Loh, Kian Ping

2009-08-19

Arsenic(II) sulfide (AsS)-coated CdSe core-shell nanocrystals can be prepared by a cluster-complex deposition approach under mild conditions. At 60 degrees C, growth of an AsS shell onto a CdSe nanocrystal can be realized through the crystallization of a cluster complex of AsS/butylamine in a mixed solvent of isopropanol/chloroform. The new, type I core-shell nanocrystal exhibits markedly enhanced one-photon fluorescence as well two-photon upconversion fluorescence. The nanocrystals can be used for infrared-excited upconversion cellular labeling.

Rates of collapse and evaporation of globular clusters

NASA Technical Reports Server (NTRS)

Hut, Piet; Djorgovski, S.

1992-01-01

Observational estimates of the dynamical relaxation times of Galactic globular clusters are used here to estimate the present rate at which core collapse and evaporation are occurring in them. A core collapse rate of 2 +/- 1 per Gyr is found, which for a Galactic age of about 12 Gyr agrees well with the fact that 27 clusters have surface brightness profiles with the morphology expected for the postcollapse phase. A destruction and evaporation rate of 5 +/- 3 per Gyr is found, suggesting that a significant fraction of the Galaxy's original complement of globular clusters have perished through the combined effects of mechanisms such as relaxation-driven evaporation and shocking due to interaction with the Galactic disk and bulge.

Formation of fivefold axes in the FCC-metal nanoclusters

NASA Astrophysics Data System (ADS)

Myasnichenko, Vladimir S.; Starostenkov, Mikhail D.

2012-11-01

Formation of atomistic structures of metallic Cu, Au, Ag clusters and bimetallic Cu-Au clusters was studied with the help of molecular dynamics using the many-body tight-binding interatomic potential. The simulation of the crystallization process of clusters with the number of atoms ranging from 300 to 1092 was carried out. The most stable configurations of atoms in the system, corresponding to the minimum of potential energy, was found during super-fast cooling from 1000 K. Atoms corresponding to fcc, hcp, and Ih phases were identified by the method of common neighbor analysis. Incomplete icosahedral core can be discovered at the intersection of one of the Ih axes with the surface of monometallic cluster. The decahedron-shaped structure of bimetallic Cu-Au cluster with seven completed icosahedral cores was obtained. The principles of the construction of small bimetallic clusters with icosahedral symmetry and increased fractal dimensionality were offered.

Antiferromagnetic exchange and magnetoresistance enhancement in ultrathin Co-Re sandwiches

NASA Astrophysics Data System (ADS)

Freitas, P. P.; Melo, L. V.; Trindade, I.; From, M.

1992-10-01

Co-Re ultrathin sandwiches were prepared that show antiferromagnetic coupling and enhanced saturation magnetoresistance for Re spacer thicknesses below 9 Å. A field of 2.5 kOe is needed to saturate the antiferromagnetically coupled Co layers. These results are similar to those found in Co-Re superlattices.

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations.

PubMed

Burkatzki, M; Filippi, Claudia; Dolg, M

2008-10-28

We extend our recently published set of energy-consistent scalar-relativistic Hartree-Fock pseudopotentials by the 3d-transition metal elements, scandium through zinc. The pseudopotentials do not exhibit a singularity at the nucleus and are therefore suitable for quantum Monte Carlo (QMC) calculations. The pseudopotentials and the accompanying basis sets (VnZ with n=T,Q) are given in standard Gaussian representation and their parameter sets are presented. Coupled cluster, configuration interaction, and QMC studies are carried out for the scandium and titanium atoms and their oxides, demonstrating the good performance of the pseudopotentials. Even though the choice of pseudopotential form is motivated by QMC, these pseudopotentials can also be employed in other quantum chemical approaches.

A Correlated Ab Initio Study of Linear Carbon-Chain Radicals C(sub n)H (n=2-7)

NASA Technical Reports Server (NTRS)

Woon, David E.

1995-01-01

Linear carbon-chain radicals C(sub n) H for n = 2-7 have been studied with correlation consistent valence and core-valence basis sets and the coupled cluster method RCCSD(T). Equilibrium structures, rotational constants, and dipole moments are reported and compared with available experimental data. The ground state of the even-n series changes from 2Sigma(+) to 2Pi as the chain is extended. For C4H, the 2Sigma(+) state was found to lie only 72 cm(exp -1) below the 2Pi state in the estimated complete basis set limit for valence correlation. The C2H(-) and C3H(-) anions have also been characterized.

Galaxy clusters in the context of superfluid dark matter

NASA Astrophysics Data System (ADS)

Hodson, Alistair O.; Zhao, Hongsheng; Khoury, Justin; Famaey, Benoit

2017-11-01

Context. The mass discrepancy in the Universe has not been solved by the cold dark matter (CDM) or the modified Newtonian dynamics (MOND) paradigms so far. The problems and solutions of either scenario are mutually exclusive on large and small scales. It has recently been proposed, by assuming that dark matter is a superfluid, that MOND-like effects can be achieved on small scales whilst preserving the success of ΛCDM on large scales. Detailed models within this "superfluid dark matter" (SfDM) paradigm are yet to be constructed. Aims: Here, we aim to provide the first set of spherical models of galaxy clusters in the context of SfDM. We aim to determine whether the superfluid formulation is indeed sufficient to explain the mass discrepancy in galaxy clusters. Methods: The SfDM model is defined by two parameters. Λ can be thought of as a mass scale in the Lagrangian of the scalar field that effectively describes the phonons, and it acts as a coupling constant between the phonons and baryons. m is the mass of the DM particles. Based on these parameters, we outline the theoretical structure of the superfluid core and the surrounding "normal-phase" dark halo of quasi-particles. The latter are thought to encompass the largest part of galaxy clusters. Here, we set the SfDM transition at the radius where the density and pressure of the superfluid and normal phase coincide, neglecting the effect of phonons in the superfluid core. We then apply the formalism to a sample of galaxy clusters, and directly compare the SfDM predicted mass profiles to data. Results: We find that the superfluid formulation can reproduce the X-ray dynamical mass profile of clusters reasonably well, but with a slight under-prediction of the gravity in the central regions. This might be partly related to our neglecting of the effect of phonons in these regions. Two normal-phase halo profiles are tested, and it is found that clusters are better defined by a normal-phase halo resembling an Navarro-Frenk-White-like structure than an isothermal profile. Conclusions: In this first exploratory work on the topic, we conclude that depending on the amount of baryons present in the central galaxy and on the actual effect of phonons in the inner regions, this superfluid formulation could be successful in describing galaxy clusters. In the future, our model could be made more realistic by exploring non-sphericity and a more realistic SfDM to normal phase transition. The main result of this study is an estimate of the order of magnitude of the theory parameters for the superfluid formalism to be reasonably consistent with clusters. These values will have to be compared to the true values needed in galaxies.

STAR FORMATION ACTIVITY IN CLASH BRIGHTEST CLUSTER GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fogarty, Kevin; Postman, Marc; Connor, Thomas

2015-11-10

The CLASH X-ray selected sample of 20 galaxy clusters contains 10 brightest cluster galaxies (BCGs) that exhibit significant (>5σ) extinction-corrected star formation rates (SFRs). Star formation activity is inferred from photometric estimates of UV and Hα+[N ii] emission in knots and filaments detected in CLASH Hubble Space Telescope ACS and WFC3 observations. UV-derived SFRs in these BCGs span two orders of magnitude, including two with a SFR ≳ 100 M{sub ⊙} yr{sup −1}. These measurements are supplemented with [O ii], [O iii], and Hβ fluxes measured from spectra obtained with the SOAR telescope. We confirm that photoionization from ongoing starmore » formation powers the line emission nebulae in these BCGs, although in many BCGs there is also evidence of a LINER-like contribution to the line emission. Coupling these data with Chandra X-ray measurements, we infer that the star formation occurs exclusively in low-entropy cluster cores and exhibits a correlation with gas properties related to cooling. We also perform an in-depth study of the starburst history of the BCG in the cluster RXJ1532.9+3021, and create 2D maps of stellar properties on scales down to ∼350 pc. These maps reveal evidence for an ongoing burst occurring in elongated filaments, generally on ∼0.5–1.0 Gyr timescales, although some filaments are consistent with much younger (≲100 Myr) burst timescales and may be correlated with recent activity from the active galactic nucleus. The relationship between BCG SFRs and the surrounding intracluster medium gas properties provide new support for the process of feedback-regulated cooling in galaxy clusters and is consistent with recent theoretical predictions.« less

Explicit hydration of ammonium ion by correlated methods employing molecular tailoring approach

NASA Astrophysics Data System (ADS)

Singh, Gurmeet; Verma, Rahul; Wagle, Swapnil; Gadre, Shridhar R.

2017-11-01

Explicit hydration studies of ions require accurate estimation of interaction energies. This work explores the explicit hydration of the ammonium ion (NH4+) employing Møller-Plesset second order (MP2) perturbation theory, an accurate yet relatively less expensive correlated method. Several initial geometries of NH4+(H2O)n (n = 4 to 13) clusters are subjected to MP2 level geometry optimisation with correlation consistent aug-cc-pVDZ (aVDZ) basis set. For large clusters (viz. n > 8), molecular tailoring approach (MTA) is used for single point energy evaluation at MP2/aVTZ level for the estimation of MP2 level binding energies (BEs) at complete basis set (CBS) limit. The minimal nature of the clusters upto n ≤ 8 is confirmed by performing vibrational frequency calculations at MP2/aVDZ level of theory, whereas for larger clusters (9 ≤ n ≤ 13) such calculations are effected via grafted MTA (GMTA) method. The zero point energy (ZPE) corrections are done for all the isomers lying within 1 kcal/mol of the lowest energy one. The resulting frequencies in N-H region (2900-3500 cm-1) and in O-H stretching region (3300-3900 cm-1) are in found to be in excellent agreement with the available experimental findings for 4 ≤ n ≤ 13. Furthermore, GMTA is also applied for calculating the BEs of these clusters at coupled cluster singles and doubles with perturbative triples (CCSD(T)) level of theory with aVDZ basis set. This work thus represents an art of the possible on contemporary multi-core computers for studying explicit molecular hydration at correlated level theories.

Symmetries and stability of chimera states in small, globally-coupled networks

NASA Astrophysics Data System (ADS)

Hart, Joseph D.; Bansal, Kanika; Murphy, Thomas E.; Roy, Rajarshi

It has recently been demonstrated that symmetries in a network's topology can help predict the patterns of synchronized clusters that can emerge in a network of coupled oscillators. This and related discoveries have led to increased interest in both network symmetries and cluster synchronization. In parallel with these discoveries, interest in chimera states-dynamical patterns in which a network separates into coherent and incoherent portions-has grown, and chimeras have now been observed in a variety of experimental systems. We present an opto-electronic experiment in which both chimera states and synchronized clusters are observed in a small, globally-coupled network. We show that the symmetries and sub-symmetries of the network permit the formation of the chimera and cluster states. A recently developed group theoretical approach enables us to predict the stability of the observed chimera and cluster states, and highlights the close relationship between chimera and cluster states as belonging to the broader phenomenon of partial synchronization.

Continuum theory for cluster morphologies of soft colloids.

PubMed

Kosmrlj, A; Pauschenwein, G J; Kahl, G; Ziherl, P

2011-06-09

We introduce a continuum description of the thermodynamics of colloids with a core-corona architecture. In the case of thick coronas, their overlap can be treated approximately by replacing the exact one-particle density distribution by a suitably shaped step profile, which provides a convenient way of modeling the spherical, columnar, lamellar, and inverted cluster morphologies predicted by numerical simulations and the more involved theories. We use the model to study monodisperse particles with the hard-core/square-shoulder pair interaction as the simplest representatives of the core-corona class. We derive approximate analytical expressions for the enthalpies of the cluster morphologies which offer a clear insight into the mechanisms at work, and we calculate the lattice spacing and the cluster size for all morphologies of the phase sequence as well as the phase-transition pressures. By comparing the results with the exact crystalline minimum-enthalpy configurations, we show that the accuracy of the theory increases with shoulder width. We discuss possible extensions of the theory that could account for the finite-temperature effects.

Three-cluster dynamics within an ab initio framework

DOE PAGES

Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

2013-09-26

In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core ( 4He) polarization effects.« less

Gravitational Core-Mantle Coupling and the Acceleration of the Earth

NASA Technical Reports Server (NTRS)

Rubincam, David Parry; Smith, David E. (Technical Monitor)

2001-01-01

Gravitational core-mantle coupling may be the cause of the observed variable acceleration of the Earth's rotation on the 1000 year timescale. The idea is that density inhomogeneities which randomly come and go in the liquid outer core gravitationally attract density inhomogeneities in the mantle and crust, torquing the mantle and changing its rotation state. The corresponding torque by the mantle on the core may also explain the westward drift of the magnetic field of 0.2 deg per year. Gravitational core-mantle coupling would stochastically affect the rate of change of the Earth's obliquity by just a few per cent. Its contribution to polar wander would only be about 0.5% the presently observed rate. Tidal friction is slowing down the rotation of the Earth, overwhelming a smaller positive acceleration from postglacial rebound. Coupling between the liquid outer core of the Earth and the mantle has long been a suspected reason for changes in the length-of-day. The present investigation focuses on the gravitational coupling between the density anomalies in the convecting liquid outer core and those in the mantle and crust as a possible cause for the observed nonsecular acceleration on the millenial timescale. The basic idea is as follows. There are density inhomogeneities caused by blobs circulating in the outer core like the blobs in a lava lamp; thus the outer core's gravitational field is not featureless. Moreover, these blobs will form and dissipate somewhat randomly. Thus there will be a time variability to the fields. These density inhomogeneities will gravitationally attract the density anomalies in the mantle.

Protonation and Proton-Coupled Electron Transfer at S-Ligated [4Fe-4S] Clusters

PubMed Central

Morris, Wesley D.; Darcy, Julia W.; Mayer, James M.

2015-01-01

Biological [Fe-S] clusters are increasingly recognized to undergo proton-coupled electron transfer (PCET), but the site of protonation, mechanism, and role for PCET remains largely unknown. Here we explore this reactivity with synthetic model clusters. Protonation of the arylthiolate-ligated [4Fe-4S] cluster [Fe4S4(SAr)4]2- (1, SAr = S-2,4-6-(iPr)3C6H2) leads to thiol dissociation, reversibly forming [Fe4S4(SAr)3L]1- (2) + ArSH (L = solvent, and/or conjugate base). Solutions of 2 + ArSH react with the nitroxyl radical TEMPO to give [Fe4S4(SAr)4]1- (1ox) and TEMPOH. This reaction involves PCET coupled to thiolate association and may proceed via the unobserved protonated cluster [Fe4S4(SAr)3(HSAr)]1-(1-H). Similar reactions with this and related clusters proceed comparably. An understanding of the PCET thermochemistry of this cluster system has been developed, encompassing three different redox levels and two protonation states. PMID:25965413

Influences of adding negative couplings between cliques of Kuramoto-like oscillators

NASA Astrophysics Data System (ADS)

Yang, Li-xin; Lin, Xiao-lin; Jiang, Jun

2018-06-01

We study the dynamics in a clustered network of coupled oscillators by considering positive and negative coupling schemes. Second order oscillators can be interpreted as a model of consumers and generators working in a power network. Numerical results indicate that coupling strategies play an important role in the synchronizability of the clustered power network. It is found that the synchronizability can be enhanced as the positive intragroup connections increase. Meanwhile, when the intragroup interactions are positive and the probability p that two nodes belonging to different clusters are connected is increased, the synchronization has better performance. Besides, when the intragroup connections are negative, it is observed that the power network has poor synchronizability as the probability p increases. Our simulation results can help us understand the collective behavior of the power network with positive and negative couplings.

New Detections of Radio Minihalos in Cool Cores of Galaxy Clusters

NASA Technical Reports Server (NTRS)

Giacintucci, Simona; Markevitch, Maxim; Venturi, Tiziana; Clarke, Tracy E.; Cassano, Rossella; Mazzotta, Pasquale

2013-01-01

Cool cores of some galaxy clusters exhibit faint radio minihalos. Their origin is unclear, and their study has been limited by their small number. We undertook a systematic search for minihalos in a large sample of X-ray luminous clusters with high-quality radio data. In this article, we report four new minihalos (A 478, ZwCl 3146,RXJ 1532.9+3021, and A 2204) and five candidates found in the reanalyzed archival Very Large Array observations.The radio luminosities of our minihalos and candidates are in the range of 102325 W Hz1 at 1.4 GHz, which is consistent with these types of radio sources. Their sizes (40160 kpc in radius) are somewhat smaller than those of previously known minihalos. We combine our new detections with previously known minihalos, obtaining a total sample of 21 objects, and briefly compare the cluster radio properties to the average X-ray temperature and the total masses estimated from Planck.We find that nearly all clusters hosting minihalos are hot and massive. Beyond that, there is no clear correlation between the minihalo radio power and cluster temperature or mass (in contrast with the giant radio halos found in cluster mergers, whose radio luminosity correlates with the cluster mass). Chandra X-ray images indicate gas sloshing in the cool cores of most of our clusters, with minihalos contained within the sloshing regions in many of them. This supports the hypothesis that radio-emitting electrons are reaccelerated by sloshing. Advection of relativistic electrons by the sloshing gas may also play a role in the formation of the less extended minihalos.

Globular cluster photometry with the Hubble Space Telescope. I - Description of the method and analysis of the core of 47 Tuc

NASA Technical Reports Server (NTRS)

Guhathakurta, Puragra; Yanny, Brian; Schneider, Donald P.; Bahcall, John N.

1992-01-01

Accurate photometry for individual post-main-sequence stars in the core of the Galactic globular cluster 47 Tuc is presented and analyzed using an empirical point spread function model and Monte Carlo simulations. A V vs. V-I color-magnitude diagrams is constructed which shows several distinct stellar types, including RGB and HB stars. Twenty-four blue straggler stars are detected in 47 Tuc, more concentrated toward the center of the cluster than the giants. This supports the hypothesis is that the stragglers are either coalesced stars or members of binary systems that are more massive than single stars. The radial profile of the projected stellar density is flat in the central region of 47 Tuc with a core radius of 23 +/- 2 arcsec. No signature of a collapsed core is evident. The observed radial cumulative distribution of stars rules out the presence of a massive compact object in the center.

Evolution of massive stars in very young clusters and associations

NASA Technical Reports Server (NTRS)

Stothers, R. B.

1985-01-01

Statistics concerning the stellar content of young galactic clusters and associations which show well defined main sequence turnups have been analyzed in order to derive information about stellar evolution in high-mass galaxies. The analytical approach is semiempirical and uses natural spectroscopic groups of stars on the H-R diagram together with the stars' apparent magnitudes. The new approach does not depend on absolute luminosities and requires only the most basic elements of stellar evolution theory. The following conclusions are offered on the basis of the statistical analysis: (1) O-tupe main-sequence stars evolve to a spectral type of B1 during core hydrogen burning; (2) most O-type blue stragglers are newly formed massive stars burning core hydrogen; (3) supergiants lying redward of the main-sequence turnup are burning core helium; and most Wolf-Rayet stars are burning core helium and originally had masses greater than 30-40 solar mass. The statistics of the natural spectroscopic stars in young galactic clusters and associations are given in a table.

Intriguing structures and magic sizes of heavy noble metal nanoclusters around size 55 governed by relativistic effect and covalent bonding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, X. J.; Xue, X. L.; Jia, Yu

Nanoclusters usually display exotic physical and chemical properties due to their intriguing geometric structures in contrast to their bulk counterparts. By means of first-principles calculations within density functional theory, we find that heavy noble metal Pt{sub N} nanoclusters around the size N = 55 begin to prefer an open configuration, rather than previously reported close-packed icosahedron or core-shell structures. Particularly, for Pt{sub N}, the widely supposed icosahedronal magic cluster is changed to a three-atomic-layered structure with D{sub 6h} symmetry, which can be well addressed by our recently established generalized Wulff construction principle (GWCP). However, the magic number of Pt{sub N}more » clusters around 55 is shifted to a new odd number of 57. The high symmetric three-layered Pt{sub 57} motif is mainly stabilized by the enhanced covalent bonding contributed by both spin-orbital coupling effect and the open d orbital (5d{sup 9}6s{sup 1}) of Pt, which result in a delicate balance between the enhanced Pt–Pt covalent bonding of the interlayers and negligible d dangling bonds on the cluster edges. These findings about Pt{sub N} clusters are also applicable to Ir{sub N} clusters, but qualitatively different from their earlier neighboring element Os and their later neighboring element Au. The magic numbers for Os and Au are even, being 56 and 58, respectively. The findings of the new odd magic number 57 are the important supplementary of the recently established GWCP.« less

Three-phase inductive-coupled structures for contactless PHEV charging system

NASA Astrophysics Data System (ADS)

Lee, Jia-You; Shen, Hung-Yu; Li, Cheng-Bin

2016-07-01

In this article, a new-type three-phase inductive-coupled structure is proposed for the contactless plug-in hybrid electric vehicle (PHEV) charging system regarding with SAE J-1773. Four possible three-phase core structures are presented and subsequently investigated by the finite element analysis. To study the correlation between the core geometric parameter and the coupling coefficient, the magnetic equivalent circuit model of each structure is also established. In accordance with the simulation results, the low reluctance and the sharing of flux path in the core material are achieved by the proposed inductive-coupled structure with an arc-shape and three-phase symmetrical core material. It results in a compensation of the magnetic flux between each phase and a continuous flow of the output power in the inductive-coupled structure. Higher coupling coefficient between inductive-coupled structures is achieved. A comparison of coupling coefficient, mutual inductance, and self-inductance between theoretical and measured results is also performed to verify the proposed model. A 1 kW laboratory scale prototype of the contactless PHEV charging system with the proposed arc-shape three-phase inductive-coupled structure is implemented and tested. An overall system efficiency of 88% is measured when two series lithium iron phosphate battery packs of 25.6 V/8.4 Ah are charged.

Printed freeform lens arrays on multi-core fibers for highly efficient coupling in astrophotonic systems.

PubMed

Dietrich, Philipp-Immanuel; Harris, Robert J; Blaicher, Matthias; Corrigan, Mark K; Morris, Tim M; Freude, Wolfgang; Quirrenbach, Andreas; Koos, Christian

2017-07-24

Coupling of light into multi-core fibers (MCF) for spatially resolved spectroscopy is of great importance to astronomical instrumentation. To achieve high coupling efficiencies along with fill-fractions close to unity, micro-optical elements are required to concentrate the incoming light to the individual cores of the MCF. In this paper we demonstrate facet-attached lens arrays (LA) fabricated by two-photon polymerization. The LA provide close to 100% fill-fraction along with efficiencies of up to 73% (down to 1.4 dB loss) for coupling of light from free space into an MCF core. We show the viability of the concept for astrophotonic applications by integrating an MCF-LA assembly in an adaptive-optics test bed and by assessing its performance as a tip/tilt sensor.

Generation of surface-wave microwave microplasmas in hollow-core photonic crystal fiber based on a split-ring resonator.

PubMed

Vial, Florian; Gadonna, Katell; Debord, Benoît; Delahaye, Frédéric; Amrani, Foued; Leroy, Olivier; Gérôme, Frédéric; Benabid, Fetah

2016-05-15

We report on a new and highly compact scheme for the generation and sustainment of microwave-driven plasmas inside the core of an inhibited coupling Kagome hollow-core photonic crystal fiber. The microwave plasma generator consists of a split-ring resonator that efficiently couples the microwave field into the gas-filled fiber. This coupling induces the concomitant generation of a microwave surface wave at the fiber core surround and a stable plasma column confined in the fiber core. The scheme allowed the generation of several centimeters long argon microplasma columns with a very low excitation power threshold. This result represents an important step toward highly compact plasma lasers or plasma-based photonic components.

Transformer coupling for transmitting direct current through a barrier

DOEpatents

Brown, Ralph L.; Guilford, Richard P.; Stichman, John H.

1988-01-01

The transmission system for transmitting direct current from an energy source on one side of an electrical and mechanical barrier to a load on the other side of the barrier utilizes a transformer comprising a primary core on one side of the transformer and a secondary core on the other side of the transformer. The cores are magnetically coupled selectively by moving a magnetic ferrite coupler in and out of alignment with the poles of the cores. The direct current from the energy source is converted to a time varying current by an oscillating circuit, which oscillating circuit is optically coupled to a secondary winding on the secondary core to interrupt oscillations upon the voltage in the secondary winding exceeding a preselected level.

Transformer coupling for transmitting direct current through a barrier

DOEpatents

Brown, R.L.; Guilford, R.P.; Stichman, J.H.

1987-06-29

The transmission system for transmitting direct current from an energy source on one side of an electrical and mechanical barrier to a load on the other side of the barrier utilizes a transformer comprising a primary core on one side of the transformer and a secondary core on the other side of the transformer. The cores are magnetically coupled selectively by moving a magnetic ferrite coupler in and out of alignment with the poles of the cores. The direct current from the energy source is converted to a time varying current by an oscillating circuit, which oscillating circuit is optically coupled to a secondary winding on the secondary core to interrupt oscillations upon the voltage in the secondary winding exceeding a preselected level. 4 figs.

Habitable Evaporated Cores and the Occurrence of Panspermia Near the Galactic Center

NASA Astrophysics Data System (ADS)

Chen, Howard; Forbes, John C.; Loeb, Abraham

2018-03-01

Black holes growing via the accretion of gas emit radiation that can photoevaporate the atmospheres of nearby planets. Here, we couple planetary structural evolution models of sub-Neptune-mass planets to the growth of the Milky Way’s central supermassive black hole, Sgr A*, and investigate how planetary evolution is influenced by quasar activity. We find that, out to ∼20 pc from Sgr A*, the XUV flux emitted during its quasar phase can remove several percent of a planet’s H/He envelope by mass; in many cases, this removal results in bare rocky cores, many of which are situated in the habitable zones of G-type stars. Near the Galactic Center, the erosion of sub-Neptune-sized planets may be one of the most prevalent channels by which terrestrial super-Earths are created. As such, the planet population demographics may be quite different close to Sgr A* than in the galactic outskirts. The high stellar densities in this region (about seven orders of magnitude greater than the solar neighborhood) imply that the distance between neighboring rocky worlds is short (500–5000 au). The proximity between potentially habitable terrestrial planets may enable the onset of widespread interstellar panspermia near the nuclei of our galaxy. More generally, we predict these phenomena to be ubiquitous for planets in nuclear star clusters and ultra-compact dwarfs. Globular clusters, on the other hand, are less affected by the central black holes.

X-ray aspects of the DAFT/FADA clusters

NASA Astrophysics Data System (ADS)

Guennou, L.; Durret, F.; Lima Neto, G. B.; Adami, C.

2012-12-01

We have undertaken the DAFT/FADA survey with the aim of applying constraints on dark energy based on weak lensing tomography as well as obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range [0.4,0.9] for which there are HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. We present preliminary results on the coupled X-ray and dynamical analyses of these clusters.

Efficient electronic structure theory via hierarchical scale-adaptive coupled-cluster formalism: I. Theory and computational complexity analysis

NASA Astrophysics Data System (ADS)

Lyakh, Dmitry I.

2018-03-01

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the hierarchical techniques from the renormalisation group approach, H/H2-matrix algebra and fast multipole method, the computational scaling reduction in our formalism is achieved via coarsening of quantum many-body interactions at larger interaction scales, thus imposing a hierarchical structure on many-body tensors of coupled-cluster theory. In our approach, the interaction scale can be defined on any appropriate Euclidean domain (spatial domain, momentum-space domain, energy domain, etc.). We show that the hierarchically resolved many-body tensors can reduce the storage requirements to O(N), where N is the number of simulated quantum particles. Subsequently, we prove that any connected many-body diagram consisting of a finite number of arbitrary-order tensors, e.g. an arbitrary coupled-cluster diagram, can be evaluated in O(NlogN) floating-point operations. On top of that, we suggest an additional approximation to further reduce the computational complexity of higher order coupled-cluster equations, i.e. equations involving higher than double excitations, which otherwise would introduce a large prefactor into formal O(NlogN) scaling.

Core Ion Structures and Solvation Effects in Gas Phase [Sn(CO_{2})_{n}]^{-} Clusters

NASA Astrophysics Data System (ADS)

Thompson, Michael C.; Weber, J. Mathias

2017-06-01

We report infrared photodissociation spectra of [Sn(CO_{2})_{n}] (n=2-6) clusters. We explore core ion geometries through quantum chemical calculations and assign our experimental spectra through comparison with calculated vibrational frequencies. We discuss our results in the context of heterogeneous catalytic reduction of CO_{2}, and compare our results with previous work on other post-transition metal species.

Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants

PubMed Central

Zheng, Bo; Chen, Xu-Dong; Zheng, Shao-Liang; Holm, R. H.

2012-01-01

Syntheses of five types of tungsten-iron-sulfur/selenium clusters–incomplete cubanes, single cubanes, edge-bridged double cubanes (EBDCs), PN-type clusters, and double-cuboidal clusters–have been devised based on the concept of template-assisted assembly. The template reactant is six-coordinate [(Tp*)WVIS3]1−, which in the assembly systems organizes FeII,III and sulfide/selenide into cuboidal [(Tp*)WFe2S3] or cubane [(Tp*)WFe3S3Q] units. With appropriate terminal iron ligation, these units are capable of independent existence or may be transformed into higher nuclearity species. Selenide is used as a surrogate for sulfide in cluster assembly in order to determine by X-ray structures the position occupied by an external chalcogenide nucleophile or an internal chalcogenide atom in product clusters. Specific incorporation of selenide is demonstrated by formation of [WFe3S3Se]2+,3+ cubane cores. Reductive dimerization of the cubane leads to the EBDC core [W2Fe6S6Se2]2+ containing μ4-Se sites. Reaction of these species with HSe− affords the PN-type cores [W2Fe6S6Se3]1+ in which selenide occupies μ6-Se and μ2-Se sites. Reaction of [(Tp*)WS3]1−, FeCl2, and Na2Se results in the double cuboidal [W2Fe4S6Se3]2+,0 core with μ2-Se and μ4-Se bridges. It is highly probable that in analogous sulfide-only assembly systems, external and internal sulfide reactants occupy corresponding positions in cluster products. The results further demonstrate the viability of template-assisted cluster synthesis inasmuch as the reduced (Tp*)WS3 unit is present in all clusters. Structures, zero-field Mössbauer data, and redox potentials are presented for all cluster types. (Tp* = tris(pyrazolyl)hydroborate(1−)) PMID:22424175

High-resolution observations of the globular cluster NGC 7099

NASA Astrophysics Data System (ADS)

Sams, Bruce Jones, III

The globular cluster NGC 7099 is a prototypical collapsed core cluster. Through a series of instrumental, observational, and theoretical observations, I have resolved its core structure using a ground based telescope. The core has a radius of 2.15 arcsec when imaged with a V band spatial resolution of 0.35 arcsec. Initial attempts at speckle imaging produced images of inadequate signal to noise and resolution. To explain these results, a new, fully general signal-to-noise model has been developed. It properly accounts for all sources of noise in a speckle observation, including aliasing of high spatial frequencies by inadequate sampling of the image plane. The model, called Full Speckle Noise (FSN), can be used to predict the outcome of any speckle imaging experiment. A new high resolution imaging technique called ACT (Atmospheric Correlation with a Template) was developed to create sharper astronomical images. ACT compensates for image motion due to atmospheric turbulence. ACT is similar to the Shift and Add algorithm, but uses apriori spatial knowledge about the image to further constrain the shifts. In this instance, the final images of NGC 7099 have resolutions of 0.35 arcsec from data taken in 1 arcsec seeing. The PAPA (Precision Analog Photon Address) camera was used to record data. It is subject to errors when imaging cluster cores in a large field of view. The origin of these errors is explained, and several ways to avoid them proposed. New software was created for the PAPA camera to properly take flat field images taken in a large field of view. Absolute photometry measurements of NGC 7099 made with the PAPA camera are accurate to 0.1 magnitude. Luminosity sampling errors dominate surface brightness profiles of the central few arcsec in a collapsed core cluster. These errors set limits on the ultimate spatial accuracy of surface brightness profiles.

Benzoate-Induced High-Nuclearity Silver Thiolate Clusters.

PubMed

Su, Yan-Min; Liu, Wei; Wang, Zhi; Wang, Shu-Ao; Li, Yan-An; Yu, Fei; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di

2018-04-03

Compared with the well-known anion-templated effects in shaping silver thiolate clusters, the influence from the organic ligands in the outer shell is still poorly understood. Herein, three new benzoate-functionalized high-nuclearity silver(I) thiolate clusters are isolated and characterized for the first time in the presence of diverse anion templates such as S 2- , α-[Mo 5 O 18 ] 6- , and MoO 4 2- . Single-crystal X-ray analysis reveals that the nuclearities of the three silver clusters (SD/Ag28, SD/Ag29, SD/Ag30) vary from 32 to 38 to 78 with co-capped tBuS - and benzoate ligands on the surface. SD/Ag28 is a turtle-like cluster comprising a Ag 29 shell caging a Ag 3 S 3 trigon in the center, whereas SD/Ag29 is a prolate Ag 38 sphere templated by the α-[Mo 5 O 18 ] 6- anion. Upon changing from benzoate to methoxyl-substituted benzoate, SD/Ag30 is isolated as a very complicated core-shell spherical cluster composed of a Ag 57 shell and a vase-like Ag 21 S 13 core. Four MoO 4 2- anions are arranged in a supertetrahedron and located in the interstice between the core and shell. Introduction of the bulky benzoate changes elaborately the nuclearity and arrangements of silver polygons on the shell of silver clusters, which is exemplified by comparing SD/Ag28 and a known similar silver thiolate cluster. The three new clusters emit luminescence in the near-infrared (NIR) region and show different thermochromic luminescence properties. This work presents a flexible approach to synthetic studies of high-nuclearity silver clusters decorated by different benzoates, and structural modulations are also achieved. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

High star formation activity in the central region of a distant cluster at z = 1.46

NASA Astrophysics Data System (ADS)

Hayashi, Masao; Kodama, Tadayuki; Koyama, Yusei; Tanaka, Ichi; Shimasaku, Kazuhiro; Okamura, Sadanori

2010-03-01

We present an unbiased deep [OII] emission survey of a cluster XMMXCS J2215.9-1738 at z = 1.46, the most distant cluster to date with a detection of extended X-ray emission. With wide-field optical and near-infrared cameras (Suprime-Cam and MOIRCS, respectively) on Subaru telescope, we performed deep imaging with a narrow-band filter NB912 (λc = 9139 Å, Δλ = 134 Å) as well as broad-band filters (B,z',J and Ks). From the photometric catalogues, we have identified 44 [OII] emitters in the cluster central region of 6 × 6 arcmin2 down to a dust-free star formation rate (SFR) of 2.6Msolaryr-1 (3σ). Interestingly, it is found that there are many [OII] emitters even in the central high-density region. In fact, the fraction of [OII] emitters to the cluster members as well as their SFRs and equivalent widths stay almost constant with decreasing cluster-centric distance up to the cluster core. Unlike clusters at lower redshifts (z <~ 1) where star formation activity is mostly quenched in their central regions, this higher redshift XMMXCS J2215.9-1738 cluster shows its high star formation activity even at its centre, suggesting that we are beginning to enter the formation epoch of some galaxies in the cluster core eventually. Moreover, we find a deficit of galaxies on the red sequence at magnitudes fainter than ~M* + 0.5 on the colour-magnitude diagram. This break magnitude is brighter than that of lower redshift clusters, and it is likely that we are seeing the formation phase of more massive red galaxies in the cluster core at z ~ 1. These results may indicate inside-out and down-sizing propagation of star formation activity in the course of cluster evolution.

MASGOMAS PROJECT, New automatic-tool for cluster search on IR photometric surveys

NASA Astrophysics Data System (ADS)

Rübke, K.; Herrero, A.; Borissova, J.; Ramirez-Alegria, S.; García, M.; Marin-Franch, A.

2015-05-01

The Milky Way is expected to contain a large number of young massive (few x 1000 solar masses) stellar clusters, borne in dense cores of gas and dust. Yet, their known number remains small. We have started a programme to search for such clusters, MASGOMAS (MAssive Stars in Galactic Obscured MAssive clusterS). Initially, we selected promising candidates by means of visual inspection of infrared images. In a second phase of the project we have presented a semi-automatic method to search for obscured massive clusters that resulted in the identification of new massive clusters, like MASGOMAS-1 (with more than 10,000 solar masses) and MASGOMAS-4 (a double-cored association of about 3,000 solar masses). We have now developped a new automatic tool for MASGOMAS that allows the identification of a large number of massive cluster candidates from the 2MASS and VVV catalogues. Cluster candidates fulfilling criteria appropriated for massive OB stars are thus selected in an efficient and objective way. We present the results from this tool and the observations of the first selected cluster, and discuss the implications for the Milky Way structure.

IR photodissociation spectroscopy of (OCS){sub n}{sup +} and (OCS){sub n}{sup −} cluster ions: Similarity and dissimilarity in the structure of CO{sub 2}, OCS, and CS{sub 2} cluster ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inokuchi, Yoshiya, E-mail: y-inokuchi@hiroshima-u.ac.jp; Ebata, Takayuki

2015-06-07

Infrared photodissociation (IRPD) spectra of (OCS){sub n}{sup +} and (OCS){sub n}{sup −} (n = 2–6) cluster ions are measured in the 1000–2300 cm{sup −1} region; these clusters show strong CO stretching vibrations in this region. For (OCS){sub 2}{sup +} and (OCS){sub 2}{sup −}, we utilize the messenger technique by attaching an Ar atom to measure their IR spectra. The IRPD spectrum of (OCS){sub 2}{sup +}Ar shows two bands at 2095 and 2120 cm{sup −1}. On the basis of quantum chemical calculations, these bands are assigned to a C{sub 2} isomer of (OCS){sub 2}{sup +}, in which an intermolecular semi-covalent bondmore » is formed between the sulfur ends of the two OCS components by the charge resonance interaction, and the positive charge is delocalized over the dimer. The (OCS){sub n}{sup +} (n = 3–6) cluster ions show a few bands assignable to “solvent” OCS molecules in the 2000–2080 cm{sup −1} region, in addition to the bands due to the (OCS){sub 2}{sup +} ion core at ∼2090 and ∼2120 cm{sup −1}, suggesting that the dimer ion core is kept in (OCS){sub 3–6}{sup +}. For the (OCS){sub n}{sup −} cluster anions, the IRPD spectra indicate the coexistence of a few isomers with an OCS{sup −} or (OCS){sub 2}{sup −} anion core over the cluster range of n = 2–6. The (OCS){sub 2}{sup −}Ar anion displays two strong bands at 1674 and 1994 cm{sup −1}. These bands can be assigned to a C{sub s} isomer with an OCS{sup −} anion core. For the n = 2–4 anions, this OCS{sup −} anion core form is dominant. In addition to the bands of the OCS{sup −} core isomer, we found another band at ∼1740 cm{sup −1}, which can be assigned to isomers having an (OCS){sub 2}{sup −} ion core; this dimer core has C{sub 2} symmetry and {sup 2}A electronic state. The IRPD spectra of the n = 3–6 anions show two IR bands at ∼1660 and ∼2020 cm{sup −1}. The intensity of the latter component relative to that of the former one becomes stronger and stronger with increasing the size from n = 2 to 4, which corresponds to the increase of “solvent” OCS molecules attached to the OCS{sup −} ion core, but it suddenly decreases at n = 5 and 6. These IR spectral features of the n = 5 and 6 anions are ascribed to the formation of another (OCS){sub 2}{sup −} ion core having C{sub 2v} symmetry with {sup 2}B{sub 2} electronic state.« less

What Do the Hitomi Observations Tell Us About the Turbulent Velocities in the Perseus Cluster? Probing the Velocity Field with Mock Observations

NASA Astrophysics Data System (ADS)

ZuHone, J. A.; Miller, E. D.; Bulbul, E.; Zhuravleva, I.

2018-02-01

Hitomi made the first direct measurements of galaxy cluster gas motions in the Perseus cluster, which implied that its core is fairly “quiescent,” with velocities less than ∼200 km s‑1, despite the presence of an active galactic nucleus and sloshing cold fronts. Building on previous work, we use synthetic Hitomi/X-ray Spectrometer (SXS) observations of the hot plasma of a simulated cluster with sloshing gas motions and varying viscosity to analyze its velocity structure in a similar fashion. We find that sloshing motions can produce line shifts and widths similar to those measured by Hitomi. We find these measurements are unaffected by the value of the gas viscosity, since its effects are only manifested clearly on angular scales smaller than the SXS ∼1‧ PSF. The PSF biases the line shift of regions near the core as much as ∼40–50 km s‑1, so it is crucial to model this effect carefully. We also infer that if sloshing motions dominate the observed velocity gradient, Perseus must be observed from a line of sight that is somewhat inclined from the plane of these motions, but one that still allows the spiral pattern to be visible. Finally, we find that assuming isotropy of motions can underestimate the total velocity and kinetic energy of the core in our simulation by as much as ∼60%. However, the total kinetic energy in our simulated cluster core is still less than 10% of the thermal energy in the core, in agreement with the Hitomi observations.

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jianbao; Ma, Zhongjun, E-mail: mzj1234402@163.com; Chen, Guanrong

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding ormore » deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.« less

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

NASA Astrophysics Data System (ADS)

Zhang, Jianbao; Ma, Zhongjun; Chen, Guanrong

2014-06-01

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.

Course 4: Density Functional Theory, Methods, Techniques, and Applications

NASA Astrophysics Data System (ADS)

Chrétien, S.; Salahub, D. R.

Contents 1 Introduction 2 Density functional theory 2.1 Hohenberg and Kohn theorems 2.2 Levy's constrained search 2.3 Kohn-Sham method 3 Density matrices and pair correlation functions 4 Adiabatic connection or coupling strength integration 5 Comparing and constrasting KS-DFT and HF-CI 6 Preparing new functionals 7 Approximate exchange and correlation functionals 7.1 The Local Spin Density Approximation (LSDA) 7.2 Gradient Expansion Approximation (GEA) 7.3 Generalized Gradient Approximation (GGA) 7.4 meta-Generalized Gradient Approximation (meta-GGA) 7.5 Hybrid functionals 7.6 The Optimized Effective Potential method (OEP) 7.7 Comparison between various approximate functionals 8 LAP correlation functional 9 Solving the Kohn-Sham equations 9.1 The Kohn-Sham orbitals 9.2 Coulomb potential 9.3 Exchange-correlation potential 9.4 Core potential 9.5 Other choices and sources of error 9.6 Functionality 10 Applications 10.1 Ab initio molecular dynamics for an alanine dipeptide model 10.2 Transition metal clusters: The ecstasy, and the agony... 10.3 The conversion of acetylene to benzene on Fe clusters 11 Conclusions

Synchronization as Aggregation: Cluster Kinetics of Pulse-Coupled Oscillators.

PubMed

O'Keeffe, Kevin P; Krapivsky, P L; Strogatz, Steven H

2015-08-07

We consider models of identical pulse-coupled oscillators with global interactions. Previous work showed that under certain conditions such systems always end up in sync, but did not quantify how small clusters of synchronized oscillators progressively coalesce into larger ones. Using tools from the study of aggregation phenomena, we obtain exact results for the time-dependent distribution of cluster sizes as the system evolves from disorder to synchrony.

Configurational coupled cluster approach with applications to magnetic model systems

NASA Astrophysics Data System (ADS)

Wu, Siyuan; Nooijen, Marcel

2018-05-01

A general exponential, coupled cluster like, approach is discussed to extract an effective Hamiltonian in configurational space, as a sum of 1-body, 2-body up to n-body operators. The simplest two-body approach is illustrated by calculations on simple magnetic model systems. A key feature of the approach is that equations up to a certain rank do not depend on higher body cluster operators.

``Dressing'' lines and vertices in calculations of matrix elements with the coupled-cluster method and determination of Cs atomic properties

NASA Astrophysics Data System (ADS)

Derevianko, Andrei; Porsev, Sergey G.

2005-03-01

We consider evaluation of matrix elements with the coupled-cluster method. Such calculations formally involve infinite number of terms and we devise a method of partial summation (dressing) of the resulting series. Our formalism is built upon an expansion of the product C†C of cluster amplitudes C into a sum of n -body insertions. We consider two types of insertions: particle (hole) line insertion and two-particle (two-hole) random-phase-approximation-like insertion. We demonstrate how to “dress” these insertions and formulate iterative equations. We illustrate the dressing equations in the case when the cluster operator is truncated at single and double excitations. Using univalent systems as an example, we upgrade coupled-cluster diagrams for matrix elements with the dressed insertions and highlight a relation to pertinent fourth-order diagrams. We illustrate our formalism with relativistic calculations of the hyperfine constant A(6s) and the 6s1/2-6p1/2 electric-dipole transition amplitude for the Cs atom. Finally, we augment the truncated coupled-cluster calculations with otherwise omitted fourth order diagrams. The resulting analysis for Cs is complete through the fourth order of many-body perturbation theory and reveals an important role of triple and disconnected quadruple excitations.

Structural Analysis of Cubane-Type Iron Clusters

PubMed Central

Tan, Lay Ling; Holm, R. H.; Lee, Sonny C.

2013-01-01

The generalized cluster type [M4(μ3-Q)4Ln]x contains the cubane-type [M4Q4]z core unit that can approach, but typically deviates from, perfect Td symmetry. The geometric properties of this structure have been analyzed with reference to Td symmetry by a new protocol. Using coordinates of M and Q atoms, expressions have been derived for interatomic separations, bond angles, and volumes of tetrahedral core units (M4, Q4) and the total [M4Q4] core (as a tetracapped M4 tetrahedron). Values for structural parameters have been calculated from observed average values for a given cluster type. Comparison of calculated and observed values measures the extent of deviation of a given parameter from that required in an exact tetrahedral structure. The procedure has been applied to the structures of over 130 clusters containing [Fe4Q4] (Q = S2−, Se2−, Te2−, [NPR3]−, [NR]2−) units, of which synthetic and biological sulfide-bridged clusters constitute the largest subset. General structural features and trends in structural parameters are identified and summarized. An extensive database of structural properties (distances, angles, volumes) has been compiled in Supporting Information. PMID:24072952

Structural Analysis of Cubane-Type Iron Clusters.

PubMed

Tan, Lay Ling; Holm, R H; Lee, Sonny C

2013-07-13

The generalized cluster type [M 4 (μ 3 -Q) 4 L n ] x contains the cubane-type [M 4 Q 4 ] z core unit that can approach, but typically deviates from, perfect T d symmetry. The geometric properties of this structure have been analyzed with reference to T d symmetry by a new protocol. Using coordinates of M and Q atoms, expressions have been derived for interatomic separations, bond angles, and volumes of tetrahedral core units (M 4 , Q 4 ) and the total [M 4 Q 4 ] core (as a tetracapped M 4 tetrahedron). Values for structural parameters have been calculated from observed average values for a given cluster type. Comparison of calculated and observed values measures the extent of deviation of a given parameter from that required in an exact tetrahedral structure. The procedure has been applied to the structures of over 130 clusters containing [Fe 4 Q 4 ] (Q = S 2- , Se 2- , Te 2- , [NPR 3 ] - , [NR] 2- ) units, of which synthetic and biological sulfide-bridged clusters constitute the largest subset. General structural features and trends in structural parameters are identified and summarized. An extensive database of structural properties (distances, angles, volumes) has been compiled in Supporting Information.

Discovery of a new X-ray transient in the globular cluster Liller 1

NASA Astrophysics Data System (ADS)

Homan, Jeroen; van den Berg, Maureen; Heinke, Craig; Pooley, David; Degenaar, Nathalie; van den Eijnden, Jakob; Bahramian, Arash; Gendreau, Keith; Arzoumanian, Zaven

2018-05-01

We report on the discovery of a new X-ray transient in the globular cluster Liller 1 with Chandra. Swift/XRT monitoring observations of the globular cluster Liller 1 in early April 2018 revealed low-level activity (around 0.1 ct/s) in the core of the cluster.

A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential

NASA Astrophysics Data System (ADS)

Maitra, Rahul; Akinaga, Yoshinobu; Nakajima, Takahito

2017-08-01

A single reference coupled cluster theory that is capable of including the effect of connected triple excitations has been developed and implemented. This is achieved by regrouping the terms appearing in perturbation theory and parametrizing through two different sets of exponential operators: while one of the exponentials, involving general substitution operators, annihilates the ground state but has a non-vanishing effect when it acts on the excited determinant, the other is the regular single and double excitation operator in the sense of conventional coupled cluster theory, which acts on the Hartree-Fock ground state. The two sets of operators are solved as coupled non-linear equations in an iterative manner without significant increase in computational cost than the conventional coupled cluster theory with singles and doubles excitations. A number of physically motivated and computationally advantageous sufficiency conditions are invoked to arrive at the working equations and have been applied to determine the ground state energies of a number of small prototypical systems having weak multi-reference character. With the knowledge of the correlated ground state, we have reconstructed the triple excitation operator and have performed equation of motion with coupled cluster singles, doubles, and triples to obtain the ionization potential and excitation energies of these molecules as well. Our results suggest that this is quite a reasonable scheme to capture the effect of connected triple excitations as long as the ground state remains weakly multi-reference.

Magnetically Recoverable Pd/Fe 3O 4 Core-Shell Nanowire Clusters with Increased Hydrogenation Activity

DOE PAGES

Watt, John; Kotula, Paul G.; Huber, Dale L.

2017-02-06

Core-shell nanostructures are promising candidates for the next generation of catalysts due to synergistic effects which can arise from having two active species in close contact, leading to increased activity. Likewise, catalysts displaying added functionality, such as a magnetic response, can increase their scientific and industrial potential. Here, we synthesize Pd/Fe 3O 4 core-shell nanowire clusters and apply them as hydrogenation catalysts for an industrially important hydrogenation reaction; the conversion of acetophenone to 1-phenylethanol. During synthesis, the palladium nanowires self-assemble into clusters which act as a high surface area framework for the growth of a magnetic iron oxide shell. Wemore » demonstrate excellent catalytic activity due to the presence of palladium while the strong magnetic properties provided by the iron oxide shell enable facile catalyst recovery.« less

High-Mass Stars in the Centers of Young Dense Clusters: Mass Segregation, Binary Mergers and Gamma-Ray Bursts

NASA Astrophysics Data System (ADS)

Zinnecker, H.

We start by discussing dense, young star-clusters, particularly the 30 Doradus cluster with its core R136. The question of mass segregation and core collapse of the massive stars is addressed. Analytical estimates of relaxation times and collision times predict that the central N=10 subsystem of massive stars in the R136 core will evolve dynamically in such a way and fast enough (i.e. within their main-sequence lifetime of a few Myr) that a dominant massive binary system is formed whose orbit will shrink to a point where merging of the components appears inevitable. The merger product will be spinning rapidly, and we put forward the idea that this rare and very massive object might be the perfect precursor of a gamma-ray burst (collapsar).

Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer

NASA Astrophysics Data System (ADS)

Song, Bo; Waldrop, Jonathan M.; Wang, Xiaopo; Patkowski, Konrad

2018-01-01

We have developed a new krypton-krypton interaction-induced isotropic dipole polarizability curve based on high-level ab initio methods. The determination was carried out using the coupled-cluster singles and doubles plus perturbative triples method with very large basis sets up to augmented correlation-consistent sextuple zeta as well as the corrections for core-core and core-valence correlation and relativistic effects. The analytical function of polarizability and our recently constructed reference interatomic potential [J. M. Waldrop et al., J. Chem. Phys. 142, 204307 (2015)] were used to predict the thermophysical and electromagnetic properties of krypton gas. The second pressure, acoustic, and dielectric virial coefficients were computed for the temperature range of 116 K-5000 K using classical statistical mechanics supplemented with high-order quantum corrections. The virial coefficients calculated were compared with the generally less precise available experimental data as well as with values computed from other potentials in the literature {in particular, the recent highly accurate potential of Jäger et al. [J. Chem. Phys. 144, 114304 (2016)]}. The detailed examination in this work suggests that the present theoretical prediction can be applied as reference values in disciplines involving thermophysical and electromagnetic properties of krypton gas.

His-Tag-Mediated Dimerization of Chemoreceptors Leads to Assembly of Functional Nanoarrays.

PubMed

Haglin, Elizabeth R; Yang, Wen; Briegel, Ariane; Thompson, Lynmarie K

2017-11-07

Transmembrane chemotaxis receptors are found in bacteria in extended hexagonal arrays stabilized by the membrane and by cytosolic binding partners, the kinase CheA and coupling protein CheW. Models of array architecture and assembly propose receptors cluster into trimers of dimers that associate with one CheA dimer and two CheW monomers to form the minimal "core unit" necessary for signal transduction. Reconstructing in vitro chemoreceptor ternary complexes that are homogeneous and functional and exhibit native architecture remains a challenge. Here we report that His-tag-mediated receptor dimerization with divalent metals is sufficient to drive assembly of nativelike functional arrays of a receptor cytoplasmic fragment. Our results indicate receptor dimerization initiates assembly and precedes formation of ternary complexes with partial kinase activity. Restoration of maximal kinase activity coincides with a shift to larger complexes, suggesting that kinase activity depends on interactions beyond the core unit. We hypothesize that achieving maximal activity requires building core units into hexagons and/or coalescing hexagons into the extended lattice. Overall, the minimally perturbing His-tag-mediated dimerization leads to assembly of chemoreceptor arrays with native architecture and thus serves as a powerful tool for studying the assembly and mechanism of this complex and other multiprotein complexes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, J. Grant, E-mail: grant.hill@sheffield.ac.uk, E-mail: kipeters@wsu.edu; Peterson, Kirk A., E-mail: grant.hill@sheffield.ac.uk, E-mail: kipeters@wsu.edu

New correlation consistent basis sets, cc-pVnZ-PP-F12 (n = D, T, Q), for all the post-d main group elements Ga–Rn have been optimized for use in explicitly correlated F12 calculations. The new sets, which include not only orbital basis sets but also the matching auxiliary sets required for density fitting both conventional and F12 integrals, are designed for correlation of valence sp, as well as the outer-core d electrons. The basis sets are constructed for use with the previously published small-core relativistic pseudopotentials of the Stuttgart-Cologne variety. Benchmark explicitly correlated coupled-cluster singles and doubles with perturbative triples [CCSD(T)-F12b] calculations of themore » spectroscopic properties of numerous diatomic molecules involving 4p, 5p, and 6p elements have been carried out and compared to the analogous conventional CCSD(T) results. In general the F12 results obtained with a n-zeta F12 basis set were comparable to conventional aug-cc-pVxZ-PP or aug-cc-pwCVxZ-PP basis set calculations obtained with x = n + 1 or even x = n + 2. The new sets used in CCSD(T)-F12b calculations are particularly efficient at accurately recovering the large correlation effects of the outer-core d electrons.« less

IRAS galaxies and the large-scale structure in the CfA slice

NASA Technical Reports Server (NTRS)

Babul, Arif; Postman, Marc

1990-01-01

The spatial distributions of the IRAS and the optical galaxies in the first CfA slice are compared. The IRAS galaxies are generally less clustered than optical ones, but their distribution is essentially identical to that of late-type optical galaxies. The discrepancy between the clustering properties of the IRAS and optical samples in the CfA slice region is found to be entirely due to the paucity of IRAS galaxies in the core of the Coma cluster. The spatial distributions of the IRAS and the optical galaxies, both late and early types, outside the dense core of the Coma cluster are entirely consistent with each other. This conflicts with the prediction of the linear biasing scenario.

The coma cluster after lunch: Has a galaxcy group passed through the cluster core?

NASA Technical Reports Server (NTRS)

Burns, Jack O.; Roettiger, Kurt; Ledlow, Michael; Klypin, Anatoly

1994-01-01

We propose that the Coma cluster has recently undergone a collision with the NGC 4839 galaxy group. The ROSAT X-ray morphology, the Coma radio halo, the presence of poststarburst galaxies in the bridge between Coma and NGC 4839, the usually high velocity dispersion for the NGC 4839 group, and the position of a large-scale galaxy filament to the NE of Coma are all used to argue that the NGC 4839 group passed through the core of Coma approximately 2 Gyr ago. We present a new Hydro/N-body simulation of the merger between a galaxy group and a rich cluster that reproduces many of the observed X-ray and optical properties of Coma/NGC 4839.

Polymorphism in magic-sized Au144(SR)60 clusters

NASA Astrophysics Data System (ADS)

Jensen, Kirsten M. Ø.; Juhas, Pavol; Tofanelli, Marcus A.; Heinecke, Christine L.; Vaughan, Gavin; Ackerson, Christopher J.; Billinge, Simon J. L.

2016-06-01

Ultra-small, magic-sized metal nanoclusters represent an important new class of materials with properties between molecules and particles. However, their small size challenges the conventional methods for structure characterization. Here we present the structure of ultra-stable Au144(SR)60 magic-sized nanoclusters obtained from atomic pair distribution function analysis of X-ray powder diffraction data. The study reveals structural polymorphism in these archetypal nanoclusters. In addition to confirming the theoretically predicted icosahedral-cored cluster, we also find samples with a truncated decahedral core structure, with some samples exhibiting a coexistence of both cluster structures. Although the clusters are monodisperse in size, structural diversity is apparent. The discovery of polymorphism may open up a new dimension in nanoscale engineering.

The evolution of early-type galaxies in nearby clusters: breaking the age-metallicity degeneracy with Spitzer IRS Blue Peak-Up Imaging

NASA Astrophysics Data System (ADS)

Bressan, Alessandro; Buson, Lucio; Clemens, Marcel; Danese, Luigi; Granato, Gian Luigi; Panuzzo, Pasquale; Rampazzo, Roberto; Silva, Laura; Valdes, Jose Ramon

2005-06-01

We have shown with Cycle 1 observations that Spitzer has the capability of disentangling age and metallicity in old stellar populations. By looking to the broad emission feature left by dust enshrouded asymptotic giant branch stars above 9.7 microns, Spitzer IRS can provide direct evidence that the colour- magnitude relation of Virgo ellipticals is mainly driven by metallicity. However, with the IRS spectrograph we can only probe the bright tail of the colour-magnitude relation, and only in the nearest cluster. We propose to use IRS Blue Peak-Up, the only Spitzer band that looks directly in the core of that spectral feature, to reach fainter galaxies. We will perform a thorough investigation of early type galaxies along the colour-magnitude relation in Virgo and in Coma clusters. These observations, when coupled with already existing IRAC and Optical-NIR observations, will allow a) an unbiased census of the stellar populations in cluster early type galaxies; b) an estimate of the AGB material recycled into the ISM in these systems; c) a direct check of the universality of the colour- magnitude relation on a wide range of magnitudes; d) a spatial study of the stellar populations within the galaxies, e.g. investigating differences between bulge and disk populations within S0; e) the most secure reference frame with which to compare the evolution of early type galaxies in other environments (groups and field).

Methods of developing core collections based on the predicted genotypic value of rice ( Oryza sativa L.).

PubMed

Li, C T; Shi, C H; Wu, J G; Xu, H M; Zhang, H Z; Ren, Y L

2004-04-01

The selection of an appropriate sampling strategy and a clustering method is important in the construction of core collections based on predicted genotypic values in order to retain the greatest degree of genetic diversity of the initial collection. In this study, methods of developing rice core collections were evaluated based on the predicted genotypic values for 992 rice varieties with 13 quantitative traits. The genotypic values of the traits were predicted by the adjusted unbiased prediction (AUP) method. Based on the predicted genotypic values, Mahalanobis distances were calculated and employed to measure the genetic similarities among the rice varieties. Six hierarchical clustering methods, including the single linkage, median linkage, centroid, unweighted pair-group average, weighted pair-group average and flexible-beta methods, were combined with random, preferred and deviation sampling to develop 18 core collections of rice germplasm. The results show that the deviation sampling strategy in combination with the unweighted pair-group average method of hierarchical clustering retains the greatest degree of genetic diversities of the initial collection. The core collections sampled using predicted genotypic values had more genetic diversity than those based on phenotypic values.

Running climate model on a commercial cloud computing environment: A case study using Community Earth System Model (CESM) on Amazon AWS

NASA Astrophysics Data System (ADS)

Chen, Xiuhong; Huang, Xianglei; Jiao, Chaoyi; Flanner, Mark G.; Raeker, Todd; Palen, Brock

2017-01-01

The suites of numerical models used for simulating climate of our planet are usually run on dedicated high-performance computing (HPC) resources. This study investigates an alternative to the usual approach, i.e. carrying out climate model simulations on commercially available cloud computing environment. We test the performance and reliability of running the CESM (Community Earth System Model), a flagship climate model in the United States developed by the National Center for Atmospheric Research (NCAR), on Amazon Web Service (AWS) EC2, the cloud computing environment by Amazon.com, Inc. StarCluster is used to create virtual computing cluster on the AWS EC2 for the CESM simulations. The wall-clock time for one year of CESM simulation on the AWS EC2 virtual cluster is comparable to the time spent for the same simulation on a local dedicated high-performance computing cluster with InfiniBand connections. The CESM simulation can be efficiently scaled with the number of CPU cores on the AWS EC2 virtual cluster environment up to 64 cores. For the standard configuration of the CESM at a spatial resolution of 1.9° latitude by 2.5° longitude, increasing the number of cores from 16 to 64 reduces the wall-clock running time by more than 50% and the scaling is nearly linear. Beyond 64 cores, the communication latency starts to outweigh the benefit of distributed computing and the parallel speedup becomes nearly unchanged.

Transition properties from the Hermitian formulation of the coupled cluster polarization propagator

NASA Astrophysics Data System (ADS)

Tucholska, Aleksandra M.; Modrzejewski, Marcin; Moszynski, Robert

2014-09-01

Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. 70, 1109 (2005)]. Working expressions have been obtained and implemented with the coupled cluster method limited to single, double, and linear triple excitations (CC3). Selected dipole and quadrupole transition probabilities of the alkali earth atoms, computed with the new transition density matrices are compared to the experimental data. Good agreement between theory and experiment is found. The results obtained with the new approach are of the same quality as the results obtained with the linear response coupled cluster theory. The one-electron density matrices for the ground state in the CC3 approximation have also been implemented. The dipole moments for a few representative diatomic molecules have been computed with several variants of the new approach, and the results are discussed to choose the approximation with the best balance between the accuracy and computational efficiency.

Observational constraints on neutron star crust-core coupling during glitches

NASA Astrophysics Data System (ADS)

Newton, W. G.; Berger, S.; Haskell, B.

2015-12-01

We demonstrate that observations of glitches in the Vela pulsar can be used to investigate the strength of the crust-core coupling in a neutron star and provide a powerful probe of the internal structure of neutron stars. We assume that glitch recovery is dominated by the torque exerted by the mutual friction-mediated recoupling of superfluid components of the core that were decoupled from the crust during the glitch. Then we use the observations of the recoveries from two recent glitches in the Vela pulsar to infer the fraction of the core that is coupled to the crust during the glitch. We then analyse whether crustal neutrons alone are sufficient to drive glitches in the Vela pulsar, taking into account crustal entrainment. We use two sets of neutron star equations of state (EOSs) which span crust and core consistently and cover a conservative range of the slope of the symmetry energy at saturation density 30 < L < 120 MeV. The two sets differ in the stiffness of the high density EOS. We find that for medium to stiff EOSs, observations imply >70 per cent of the moment of inertia of the core is coupled to the crust during the glitch, though for softer EOSs L ≈ 30 MeV as little as 5 per cent could be coupled. We find that only by extending the region where superfluid vortices are strongly pinned into the core by densities at least 0.016 fm-3 above the crust-core transition density does any EOS reproduce the observed glitch activity.

Promoting Utilization of Saccharum spp. Genetic Resources through Genetic Diversity Analysis and Core Collection Construction

PubMed Central

Pathak, Bhuvan; Ayala-Silva, Tomas; Yang, Xiping; Todd, James; Glynn, Neil C.; Kuhn, David N.; Glaz, Barry; Gilbert, Robert A.; Comstock, Jack C.; Wang, Jianping

2014-01-01

Sugarcane (Saccharum spp.) and other members of Saccharum spp. are attractive biofuel feedstocks. One of the two World Collections of Sugarcane and Related Grasses (WCSRG) is in Miami, FL. This WCSRG has 1002 accessions, presumably with valuable alleles for biomass, other important agronomic traits, and stress resistance. However, the WCSRG has not been fully exploited by breeders due to its lack of characterization and unmanageable population. In order to optimize the use of this genetic resource, we aim to 1) genotypically evaluate all the 1002 accessions to understand its genetic diversity and population structure and 2) form a core collection, which captures most of the genetic diversity in the WCSRG. We screened 36 microsatellite markers on 1002 genotypes and recorded 209 alleles. Genetic diversity of the WCSRG ranged from 0 to 0.5 with an average of 0.304. The population structure analysis and principal coordinate analysis revealed three clusters with all S. spontaneum in one cluster, S. officinarum and S. hybrids in the second cluster and mostly non-Saccharum spp. in the third cluster. A core collection of 300 accessions was identified which captured the maximum genetic diversity of the entire WCSRG which can be further exploited for sugarcane and energy cane breeding. Sugarcane and energy cane breeders can effectively utilize this core collection for cultivar improvement. Further, the core collection can provide resources for forming an association panel to evaluate the traits of agronomic and commercial importance. PMID:25333358

Radial metal abundance profiles in the intra-cluster medium of cool-core galaxy clusters, groups, and ellipticals

NASA Astrophysics Data System (ADS)

Mernier, F.; de Plaa, J.; Kaastra, J. S.; Zhang, Y.-Y.; Akamatsu, H.; Gu, L.; Kosec, P.; Mao, J.; Pinto, C.; Reiprich, T. H.; Sanders, J. S.; Simionescu, A.; Werner, N.

2017-07-01

The hot intra-cluster medium (ICM) permeating galaxy clusters and groups is not pristine, as it has been continuously enriched by metals synthesised in Type Ia (SNIa) and core-collapse (SNcc) supernovae since the major epoch of star formation (z ≃ 2-3). The cluster/group enrichment history and mechanisms responsible for releasing and mixing the metals can be probed via the radial distribution of SNIa and SNcc products within the ICM. In this paper, we use deep XMM-Newton/EPIC observations from a sample of 44 nearby cool-core galaxy clusters, groups, and ellipticals (CHEERS) to constrain the average radial O, Mg, Si, S, Ar, Ca, Fe, and Ni abundance profiles. The radial distributions of all these elements, averaged over a large sample for the first time, represent the best constrained profiles available currently. Specific attention is devoted to a proper modelling of the EPIC spectral components, and to other systematic uncertainties that may affect our results. We find an overall decrease of the Fe abundance with radius out to 0.9 r500 and 0.6 r500 for clusters and groups, respectively, in good agreement with predictions from the most recent hydrodynamical simulations. The average radial profiles of all the other elements (X) are also centrally peaked and, when rescaled to their average central X/Fe ratios, follow well the Fe profile out to at least 0.5 r500. As predicted by recent simulations, we find that the relative contribution of SNIa (SNcc) to the total ICM enrichment is consistent with being uniform at all radii, both for clusters and groups using two sets of SNIa and SNcc yield models that reproduce the X/Fe abundance pattern in the core well. In addition to implying that the central metal peak is balanced between SNIa and SNcc, our results suggest that the enriching SNIa and SNcc products must share the same origin and that the delay between the bulk of the SNIa and SNcc explosions must be shorter than the timescale necessary to diffuse out the metals. Finally, we report an apparent abundance drop in the very core of 14 systems ( 32% of the sample). Possible origins of these drops are discussed.

Unifying principles in homodimeric type I photosynthetic reaction centers: properties of PscB and the FA, FB and FX iron-sulfur clusters in green sulfur bacteria.

PubMed

Jagannathan, Bharat; Golbeck, John H

2008-12-01

The photosynthetic reaction center from the green sulfur bacterium Chlorobium tepidum (CbRC) was solubilized from membranes using Triton X-100 and isolated by sucrose density ultra-centrifugation. The CbRC complexes were subsequently treated with 0.5 M NaCl and ultrafiltered over a 100 kDa cutoff membrane. The resulting CbRC cores did not exhibit the low-temperature EPR resonances from FA- and FB- and were unable to reduce NADP+. SDS-PAGE and mass spectrometric analysis showed that the PscB subunit, which harbors the FA and FB clusters, had become dissociated, and was now present in the filtrate. Attempts to rebind PscB onto CbRC cores were unsuccessful. Mössbauer spectroscopy showed that recombinant PscB contains a heterogeneous mixture of [4Fe-4S]2+,1+ and other types of Fe/S clusters tentatively identified as [2Fe-2S]2+,1+ clusters and rubredoxin-like Fe3+,2+ centers, and that the [4Fe-4S]2+,1+ clusters which were present were degraded at high ionic strength. Quantitative analysis confirmed that the amount of iron and sulfide in the recombinant protein was sub-stoichiometric. A heme-staining assay indicated that cytochrome c551 remained firmly attached to the CbRC cores. Low-temperature EPR spectroscopy of photoaccumulated CbRC complexes and CbRC cores showed resonances between g=5.4 and 4.4 assigned to a S=3/2 ground spin state [4Fe-4S]1+ cluster and at g=1.77 assigned to a S=1/2 ground spin state [4Fe-4S]1+ cluster, both from FX-. These results unify the properties of the acceptor side of the Type I homodimeric reaction centers found in green sulfur bacteria and heliobacteria: in both, the FA and FB iron-sulfur clusters are present on a salt-dissociable subunit, and FX is present as an interpolypeptide [4Fe-4S]2+,1+ cluster with a significant population in a S=3/2 ground spin state.

Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bozkaya, Uğur, E-mail: ugur.bozkaya@hacettepe.edu.tr; Department of Chemistry, Atatürk University, Erzurum 25240; Sherrill, C. David

2016-05-07

An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the “gradient terms”: computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbitalmore » (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C{sub 10}H{sub 22}), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.« less

Communication: Finite size correction in periodic coupled cluster theory calculations of solids.

PubMed

Liao, Ke; Grüneis, Andreas

2016-10-14

We present a method to correct for finite size errors in coupled cluster theory calculations of solids. The outlined technique shares similarities with electronic structure factor interpolation methods used in quantum Monte Carlo calculations. However, our approach does not require the calculation of density matrices. Furthermore we show that the proposed finite size corrections achieve chemical accuracy in the convergence of second-order Møller-Plesset perturbation and coupled cluster singles and doubles correlation energies per atom for insulating solids with two atomic unit cells using 2 × 2 × 2 and 3 × 3 × 3 k-point meshes only.

Relativistic coupled cluster theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian: Relativistic pair correlation energies of the Xe atom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eliav, E.; Kaldor, U.; Ishikawa, Y.

1994-12-31

Relativistic pair correlation energies of Xe were computed by employing a recently developed relativistic coupled cluster theory based on the no-pair Dirac-Coulomb-Breit Hamiltonian. The matrix Dirac-Fock-Breit SCF and relativistic coupled cluster calculations were performed by means of expansion in basis sets of well-tempered Gaussian spinors. A detailed study of the pair correlation energies in Xe is performed, in order to investigate the effects of the low-frequency Breit interaction on the correlation energies of Xe. Nonadditivity of correlation and relativistic (particularly Breit) effects is discussed.

A nonperturbative light-front coupled-cluster method

NASA Astrophysics Data System (ADS)

Hiller, J. R.

2012-10-01

The nonperturbative Hamiltonian eigenvalue problem for bound states of a quantum field theory is formulated in terms of Dirac's light-front coordinates and then approximated by the exponential-operator technique of the many-body coupled-cluster method. This approximation eliminates any need for the usual approximation of Fock-space truncation. Instead, the exponentiated operator is truncated, and the terms retained are determined by a set of nonlinear integral equations. These equations are solved simultaneously with an effective eigenvalue problem in the valence sector, where the number of constituents is small. Matrix elements can be calculated, with extensions of techniques from standard coupled-cluster theory, to obtain form factors and other observables.

Coulomb- and Antiferromagnetic-Induced Fission in Doubly Charged Cubelike Fe-S Clusters

NASA Astrophysics Data System (ADS)

Yang, Xin; Wang, Xue-Bin; Niu, Shuqiang; Pickett, Chris J.; Ichiye, Toshiko; Wang, Lai-Sheng

2002-09-01

We report the observation of symmetric fission in doubly charged Fe-S cluster anions, [Fe4S4X4]2- -->2[Fe2S2X2]- (X=Cl,Br), owing to both Coulomb repulsion and antiferromagnetic coupling. Photoelectron spectroscopy shows that both the parent and the fission fragments have similar electronic structures and confirms the inverted energy schemes due to the strong spin polarization of the Fe 3d levels. The current observation provides direct confirmation for the unusual spin couplings in the [Fe4S4X4]2- clusters, which contain two valent-delocalized and ferromagnetically coupled Fe2S2 subunits.

Generation of Internal Waves by Buoyant Bubbles in Galaxy Clusters and Heating of Intracluster Medium

NASA Astrophysics Data System (ADS)

Zhang, Congyao; Churazov, Eugene; Schekochihin, Alexander A.

2018-05-01

Buoyant bubbles of relativistic plasma in cluster cores plausibly play a key role in conveying the energy from a supermassive black hole to the intracluster medium (ICM) - the process known as radio-mode AGN feedback. Energy conservation guarantees that a bubble loses most of its energy to the ICM after crossing several pressure scale heights. However, actual processes responsible for transferring the energy to the ICM are still being debated. One attractive possibility is the excitation of internal waves, which are trapped in the cluster's core and eventually dissipate. Here we show that a sufficient condition for efficient excitation of these waves in stratified cluster atmospheres is flattening of the bubbles in the radial direction. In our numerical simulations, we model the bubbles phenomenologically as rigid bodies buoyantly rising in the stratified cluster atmosphere. We find that the terminal velocities of the flattened bubbles are small enough so that the Froude number Fr ≲ 1. The effects of stratification make the dominant contribution to the total drag force balancing the buoyancy force. Clear signs of internal waves are seen in the simulations. These waves propagate horizontally and downwards from the rising bubble, spreading their energy over large volumes of the ICM. If our findings are scaled to the conditions of the Perseus cluster, the expected terminal velocity is ˜100 - 200 km s-1 near the cluster cores, which is in broad agreement with direct measurements by the Hitomi satellite.

Novel density-based and hierarchical density-based clustering algorithms for uncertain data.

PubMed

Zhang, Xianchao; Liu, Han; Zhang, Xiaotong

2017-09-01

Uncertain data has posed a great challenge to traditional clustering algorithms. Recently, several algorithms have been proposed for clustering uncertain data, and among them density-based techniques seem promising for handling data uncertainty. However, some issues like losing uncertain information, high time complexity and nonadaptive threshold have not been addressed well in the previous density-based algorithm FDBSCAN and hierarchical density-based algorithm FOPTICS. In this paper, we firstly propose a novel density-based algorithm PDBSCAN, which improves the previous FDBSCAN from the following aspects: (1) it employs a more accurate method to compute the probability that the distance between two uncertain objects is less than or equal to a boundary value, instead of the sampling-based method in FDBSCAN; (2) it introduces new definitions of probability neighborhood, support degree, core object probability, direct reachability probability, thus reducing the complexity and solving the issue of nonadaptive threshold (for core object judgement) in FDBSCAN. Then, we modify the algorithm PDBSCAN to an improved version (PDBSCANi), by using a better cluster assignment strategy to ensure that every object will be assigned to the most appropriate cluster, thus solving the issue of nonadaptive threshold (for direct density reachability judgement) in FDBSCAN. Furthermore, as PDBSCAN and PDBSCANi have difficulties for clustering uncertain data with non-uniform cluster density, we propose a novel hierarchical density-based algorithm POPTICS by extending the definitions of PDBSCAN, adding new definitions of fuzzy core distance and fuzzy reachability distance, and employing a new clustering framework. POPTICS can reveal the cluster structures of the datasets with different local densities in different regions better than PDBSCAN and PDBSCANi, and it addresses the issues in FOPTICS. Experimental results demonstrate the superiority of our proposed algorithms over the existing algorithms in accuracy and efficiency. Copyright © 2017 Elsevier Ltd. All rights reserved.

Witnessing the Formation of a Brightest Cluster Galaxy in a Nearby X-ray Cluster

NASA Astrophysics Data System (ADS)

Rasmussen, Jesper; Mulchaey, John S.; Bai, Lei; Ponman, Trevor J.; Raychaudhury, Somak; Dariush, Ali

2010-07-01

The central dominant galaxies in galaxy clusters constitute the most massive and luminous galaxies in the universe. Despite this, the formation of these brightest cluster galaxies (BCGs) and the impact of this on the surrounding cluster environment remain poorly understood. Here we present multiwavelength observations of the nearby poor X-ray cluster MZ 10451, in which both processes can be studied in unprecedented detail. Chandra observations of the intracluster medium (ICM) in the cluster core, which harbors two optically bright early-type galaxies in the process of merging, show that the system has retained a cool core and a central metal excess. This suggests that any merger-induced ICM heating and mixing remain modest at this stage. Tidally stripped stars seen around either galaxy likely represent an emerging intracluster light component, and the central ICM abundance enhancement may have a prominent contribution from in situ enrichment provided by these stars. The smaller of the merging galaxies shows evidence for having retained a hot gas halo, along with tentative evidence for some obscured star formation, suggesting that not all BCG major mergers at low redshift are completely dissipationless. Both galaxies are slightly offset from the peak of the ICM emission, with all three lying on an axis that roughly coincides with the large-scale elongation of the ICM. Our data are consistent with a picture in which central BCGs are built up by mergers close to the cluster core, by galaxies infalling on radial orbits aligned with the cosmological filaments feeding the cluster. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

Identification of lithofacies using Kohonen self-organizing maps

USGS Publications Warehouse

Chang, H.-C.; Kopaska-Merkel, D. C.; Chen, H.-C.

2002-01-01

Lithofacies identification is a primary task in reservoir characterization. Traditional techniques of lithofacies identification from core data are costly, and it is difficult to extrapolate to non-cored wells. We present a low-cost automated technique using Kohonen self-organizing maps (SOMs) to identify systematically and objectively lithofacies from well log data. SOMs are unsupervised artificial neural networks that map the input space into clusters in a topological form whose organization is related to trends in the input data. A case study used five wells located in Appleton Field, Escambia County, Alabama (Smackover Formation, limestone and dolomite, Oxfordian, Jurassic). A five-input, one-dimensional output approach is employed, assuming the lithofacies are in ascending/descending order with respect to paleoenvironmental energy levels. To consider the possible appearance of new logfacies not seen in training mode, which may potentially appear in test wells, the maximum number of outputs is set to 20 instead of four, the designated number of lithosfacies in the study area. This study found eleven major clusters. The clusters were compared to depositional lithofacies identified by manual core examination. The clusters were ordered by the SOM in a pattern consistent with environmental gradients inferred from core examination: bind/boundstone, grainstone, packstone, and wackestone. This new approach predicted lithofacies identity from well log data with 78.8% accuracy which is more accurate than using a backpropagation neural network (57.3%). The clusters produced by the SOM are ordered with respect to paleoenvironmental energy levels. This energy-related clustering provides geologists and petroleum engineers with valuable geologic information about the logfacies and their interrelationships. This advantage is not obtained in backpropagation neural networks and adaptive resonance theory neural networks. ?? 2002 Elsevier Science Ltd. All rights reserved.

STELLAR ENCOUNTER RATE IN GALACTIC GLOBULAR CLUSTERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bahramian, Arash; Heinke, Craig O.; Sivakoff, Gregory R.

2013-04-01

The high stellar densities in the cores of globular clusters cause significant stellar interactions. These stellar interactions can produce close binary mass-transferring systems involving compact objects and their progeny, such as X-ray binaries and radio millisecond pulsars. Comparing the numbers of these systems and interaction rates in different clusters drives our understanding of how cluster parameters affect the production of close binaries. In this paper we estimate stellar encounter rates ({Gamma}) for 124 Galactic globular clusters based on observational data as opposed to the methods previously employed, which assumed 'King-model' profiles for all clusters. By deprojecting cluster surface brightness profilesmore » to estimate luminosity density profiles, we treat 'King-model' and 'core-collapsed' clusters in the same way. In addition, we use Monte Carlo simulations to investigate the effects of uncertainties in various observational parameters (distance, reddening, surface brightness) on {Gamma}, producing the first catalog of globular cluster stellar encounter rates with estimated errors. Comparing our results with published observations of likely products of stellar interactions (numbers of X-ray binaries, numbers of radio millisecond pulsars, and {gamma}-ray luminosity) we find both clear correlations and some differences with published results.« less

Solvatochromic shifts from coupled-cluster theory embedded in density functional theory

NASA Astrophysics Data System (ADS)

Höfener, Sebastian; Gomes, André Severo Pereira; Visscher, Lucas

2013-09-01

Building on the framework recently reported for determining general response properties for frozen-density embedding [S. Höfener, A. S. P. Gomes, and L. Visscher, J. Chem. Phys. 136, 044104 (2012)], 10.1063/1.3675845, in this work we report a first implementation of an embedded coupled-cluster in density-functional theory (CC-in-DFT) scheme for electronic excitations, where only the response of the active subsystem is taken into account. The formalism is applied to the calculation of coupled-cluster excitation energies of water and uracil in aqueous solution. We find that the CC-in-DFT results are in good agreement with reference calculations and experimental results. The accuracy of calculations is mainly sensitive to factors influencing the correlation treatment (basis set quality, truncation of the cluster operator) and to the embedding treatment of the ground-state (choice of density functionals). This allows for efficient approximations at the excited state calculation step without compromising the accuracy. This approximate scheme makes it possible to use a first principles approach to investigate environment effects with specific interactions at coupled-cluster level of theory at a cost comparable to that of calculations of the individual subsystems in vacuum.

Polished Downhole Transducer Having Improved Signal Coupling

DOEpatents

Hall, David R.; Fox, Joe

2006-03-28

Apparatus and methods to improve signal coupling in downhole inductive transmission elements to reduce the dispersion of magnetic energy at the tool joints and to provide consistent impedance and contact between transmission elements located along the drill string. A transmission element for transmitting information between downhole tools is disclosed in one embodiment of the invention as including an annular core constructed of a magnetically conductive material. The annular core forms an open channel around its circumference and is configured to form a closed channel by mating with a corresponding annular core along an annular mating surface. The mating surface is polished to provide improved magnetic coupling with the corresponding annular core. An annular conductor is disposed within the open channel.

X-ray and optical substructures of the DAFT/FADA survey clusters

NASA Astrophysics Data System (ADS)

Guennou, L.; Durret, F.; Adami, C.; Lima Neto, G. B.

2013-04-01

We have undertaken the DAFT/FADA survey with the double aim of setting constraints on dark energy based on weak lensing tomography and of obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range 0.4-0.9 for which there were HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. Out of these, a spatial analysis was possible for 30 clusters, but only 23 had deep enough X-ray data for a really robust analysis. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. Altogether, the X-ray sample of 23 clusters and the optical sample of 26 clusters have 14 clusters in common. We present preliminary results on the coupled X-ray and dynamical analyses of these 14 clusters.

The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study.

PubMed

Tabrizi, Shadan Ghassemi; Pelmenschikov, Vladimir; Noodleman, Louis; Kaupp, Martin

2016-01-12

An unprecedented [4Fe-3S] cluster proximal to the regular [NiFe] active site has recently been found to be responsible for the ability of membrane-bound hydrogenases (MBHs) to oxidize dihydrogen in the presence of ambient levels of oxygen. Starting from proximal cluster models of a recent DFT study on the redox-dependent structural transformation of the [4Fe-3S] cluster, (57)Fe Mössbauer parameters (electric field gradients, isomer shifts, and nuclear hyperfine couplings) were calculated using DFT. Our results revise the previously reported correspondence of Mössbauer signals and iron centers in the [4Fe-3S](3+) reduced-state proximal cluster. Similar conflicting assignments are also resolved for the [4Fe-3S](5+) superoxidized state with particular regard to spin-coupling in the broken-symmetry DFT calculations. Calculated (57)Fe hyperfine coupling (HFC) tensors expose discrepancies in the experimental set of HFC tensors and substantiate the need for additional experimental work on the magnetic properties of the MBH proximal cluster in its reduced and superoxidized redox states.

Batch Computed Tomography Analysis of Projectiles

DTIC Science & Technology

2016-05-01

error calculation. Projectiles are then grouped together according to the similarity of their components. Also discussed is graphical- cluster analysis...ballistic, armor, grouping, clustering 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT UU 18. NUMBER OF...Fig. 10 Graphical structure of 15 clusters of the jacket/core radii profiles with plots of the profiles contained within each cluster . The size of

Radial Profiles of PKS 0745-191 Galaxy Cluster with XMM-Newton X-Ray Observations

NASA Astrophysics Data System (ADS)

Tumer, A.; Ezer, C.; Ercan, E.

2017-10-01

Since clusters of galaxies are the largest comprehensive samples of the universe, they provide essential information on from the most basic to the most complex physical mechanisms such as nucleosynthesis and supernovae events. Some of these information are provided by the X-ray emission data from Intra Cluster Medium (ICM) which contains hot dilute gas. Recent archieved observation of the X-Ray spectrum of the cool core galaxy cluster PKS 0745-191 provided by XMM-Newton is subjected to data analysis using ESAS package. Followed by spectra analysis utilizing Xspec spectral fitting software, we present the radial profiles of temperature and abundance from the core to 0.5R_500 of brightest distant cluster (z ˜ 0.102) PKS 0745-191. Using the deprojected spectra, the radial distribution of pressure and entropy in the aforementioned region are also presented.

Rapidly rotating second-generation progenitors for the 'blue hook' stars of ω Centauri.

PubMed

Tailo, Marco; D'Antona, Francesca; Vesperini, Enrico; Di Criscienzo, Marcella; Ventura, Paolo; Milone, Antonino P; Bellini, Andrea; Dotter, Aaron; Decressin, Thibaut; D'Ercole, Annibale; Caloi, Vittoria; Capuzzo-Dolcetta, Roberto

2015-07-16

Horizontal branch stars belong to an advanced stage in the evolution of the oldest stellar galactic population, occurring either as field halo stars or grouped in globular clusters. The discovery of multiple populations in clusters that were previously believed to have single populations gave rise to the currently accepted theory that the hottest horizontal branch members (the 'blue hook' stars, which had late helium-core flash ignition, followed by deep mixing) are the progeny of a helium-rich 'second generation' of stars. It is not known why such a supposedly rare event (a late flash followed by mixing) is so common that the blue hook of ω Centauri contains approximately 30 per cent of the horizontal branch stars in the cluster, or why the blue hook luminosity range in this massive cluster cannot be reproduced by models. Here we report that the presence of helium core masses up to about 0.04 solar masses larger than the core mass resulting from evolution is required to solve the luminosity range problem. We model this by taking into account the dispersion in rotation rates achieved by the progenitors, whose pre-main-sequence accretion disk suffered an early disruption in the dense environment of the cluster's central regions, where second-generation stars form. Rotation may also account for frequent late-flash-mixing events in massive globular clusters.

Breaking Self-Similarity in Poor Clusters of Galaxies

NASA Astrophysics Data System (ADS)

Kempner, J. C.; David, L. P.

2005-12-01

The large scatter in the LX--TX relation among poor clusters in the ˜2--4 keV range indicates that the self-similarity seen among hotter clusters does not apply to their cooler siblings. Many forms of non-gravitational heating have been proposed to break this self-similarity, including cluster mergers, AGN heating, and supernova ``pre-heating.'' We present an analysis of a sample of poor clusters from the Chandra and XMM archives that suggests a cycle of heating and cooling in the cores of these clusters is responsible for the departures from self-similarity. That these differences exist only in the core is strongly suggestive of AGN heating as the dominant mechanism. Support for this work was provided by the National Aeronautics and Space Administration through Chandra Award Number G05-5138A issued by the Chandra X-ray Observatory Center, which is operated by the Smithsonian Astrophysical Observatory for and on behalf of NASA under contract NAS8-39073, and by NASA contract NAG5-12933.

X-ray emission from clusters of galaxies

NASA Technical Reports Server (NTRS)

Mushotzky, R. F.

1983-01-01

Some X-ray spectral observations of approximately 30 clusters of galaxies from HEAO-1 are summarized. There exists strong correlations between X-ray luminosity, L(x), and temperature kT in the form L(x)alphaT to the 2.3 power. This result combined with the L(x) central galaxy density relation and the virial theorem indicates that the core dadius of the gas should be roughly independent of L(x) or KT and that more luminous clusters have a greater fraction of their virial mass in gas. The poor correlation of KT and optical velocity dispersion seems to indicate that clusters have a variety of equations of state. There is poor agreement between X-ray imaging observations and optical and X-ray spectral measures of the polytropic index. Most clusters show Fe emission lines with a strong indication that they all have roughly 1/2 solar abundance. The evidence for cooling in the cores of several clusters is discussed based on spectral observations with the Einstein solid state spectrometer.

Exploring cosmic origins with CORE: Gravitational lensing of the CMB

NASA Astrophysics Data System (ADS)

Challinor, A.; Allison, R.; Carron, J.; Errard, J.; Feeney, S.; Kitching, T.; Lesgourgues, J.; Lewis, A.; Zubeldía, Í.; Achucarro, A.; Ade, P.; Ashdown, M.; Ballardini, M.; Banday, A. J.; Banerji, R.; Bartlett, J.; Bartolo, N.; Basak, S.; Baumann, D.; Bersanelli, M.; Bonaldi, A.; Bonato, M.; Borrill, J.; Bouchet, F.; Boulanger, F.; Brinckmann, T.; Bucher, M.; Burigana, C.; Buzzelli, A.; Cai, Z.-Y.; Calvo, M.; Carvalho, C.-S.; Castellano, G.; Chluba, J.; Clesse, S.; Colantoni, I.; Coppolecchia, A.; Crook, M.; d'Alessandro, G.; de Bernardis, P.; de Gasperis, G.; De Zotti, G.; Delabrouille, J.; Di Valentino, E.; Diego, J.-M.; Fernandez-Cobos, R.; Ferraro, S.; Finelli, F.; Forastieri, F.; Galli, S.; Genova-Santos, R.; Gerbino, M.; González-Nuevo, J.; Grandis, S.; Greenslade, J.; Hagstotz, S.; Hanany, S.; Handley, W.; Hernandez-Monteagudo, C.; Hervías-Caimapo, C.; Hills, M.; Hivon, E.; Kiiveri, K.; Kisner, T.; Kunz, M.; Kurki-Suonio, H.; Lamagna, L.; Lasenby, A.; Lattanzi, M.; Liguori, M.; Lindholm, V.; López-Caniego, M.; Luzzi, G.; Maffei, B.; Martinez-González, E.; Martins, C. J. A. P.; Masi, S.; Matarrese, S.; McCarthy, D.; Melchiorri, A.; Melin, J.-B.; Molinari, D.; Monfardini, A.; Natoli, P.; Negrello, M.; Notari, A.; Paiella, A.; Paoletti, D.; Patanchon, G.; Piat, M.; Pisano, G.; Polastri, L.; Polenta, G.; Pollo, A.; Poulin, V.; Quartin, M.; Remazeilles, M.; Roman, M.; Rubino-Martin, J.-A.; Salvati, L.; Tartari, A.; Tomasi, M.; Tramonte, D.; Trappe, N.; Trombetti, T.; Tucker, C.; Valiviita, J.; Van de Weijgaert, R.; van Tent, B.; Vennin, V.; Vielva, P.; Vittorio, N.; Young, K.; Zannoni, M.

2018-04-01

Lensing of the cosmic microwave background (CMB) is now a well-developed probe of the clustering of the large-scale mass distribution over a broad range of redshifts. By exploiting the non-Gaussian imprints of lensing in the polarization of the CMB, the CORE mission will allow production of a clean map of the lensing deflections over nearly the full-sky. The number of high-S/N modes in this map will exceed current CMB lensing maps by a factor of 40, and the measurement will be sample-variance limited on all scales where linear theory is valid. Here, we summarise this mission product and discuss the science that will follow from its power spectrum and the cross-correlation with other clustering data. For example, the summed mass of neutrinos will be determined to an accuracy of 17 meV combining CORE lensing and CMB two-point information with contemporaneous measurements of the baryon acoustic oscillation feature in the clustering of galaxies, three times smaller than the minimum total mass allowed by neutrino oscillation measurements. Lensing has applications across many other science goals of CORE, including the search for B-mode polarization from primordial gravitational waves. Here, lens-induced B-modes will dominate over instrument noise, limiting constraints on the power spectrum amplitude of primordial gravitational waves. With lensing reconstructed by CORE, one can "delens" the observed polarization internally, reducing the lensing B-mode power by 60 %. This can be improved to 70 % by combining lensing and measurements of the cosmic infrared background from CORE, leading to an improvement of a factor of 2.5 in the error on the amplitude of primordial gravitational waves compared to no delensing (in the null hypothesis of no primordial B-modes). Lensing measurements from CORE will allow calibration of the halo masses of the tens of thousands of galaxy clusters that it will find, with constraints dominated by the clean polarization-based estimators. The 19 frequency channels proposed for CORE will allow accurate removal of Galactic emission from CMB maps. We present initial findings that show that residual Galactic foreground contamination will not be a significant source of bias for lensing power spectrum measurements with CORE.

THE HST/ACS COMA CLUSTER SURVEY. VIII. BARRED DISK GALAXIES IN THE CORE OF THE COMA CLUSTER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marinova, Irina; Jogee, Shardha; Weinzirl, Tim

2012-02-20

We use high-resolution ({approx}0.''1) F814W Advanced Camera for Surveys (ACS) images from the Hubble Space Telescope ACS Treasury survey of the Coma cluster at z {approx} 0.02 to study bars in massive disk galaxies (S0s), as well as low-mass dwarf galaxies in the core of the Coma cluster, the densest environment in the nearby universe. Our study helps to constrain the evolution of bars and disks in dense environments and provides a comparison point for studies in lower density environments and at higher redshifts. Our results are: (1) we characterize the fraction and properties of bars in a sample ofmore » 32 bright (M{sub V} {approx}< -18, M{sub *} > 10{sup 9.5} M{sub Sun }) S0 galaxies, which dominate the population of massive disk galaxies in the Coma core. We find that the measurement of a bar fraction among S0 galaxies must be handled with special care due to the difficulty in separating unbarred S0s from ellipticals, and the potential dilution of the bar signature by light from a relatively large, bright bulge. The results depend sensitively on the method used: the bar fraction for bright S0s in the Coma core is 50% {+-} 11%, 65% {+-} 11%, and 60% {+-} 11% based on three methods of bar detection, namely, strict ellipse fit criteria, relaxed ellipse fit criteria, and visual classification. (2) We compare the S0 bar fraction across different environments (the Coma core, A901/902, and Virgo) adopting the critical step of using matched samples and matched methods in order to ensure robust comparisons. We find that the bar fraction among bright S0 galaxies does not show a statistically significant variation (within the error bars of {+-}11%) across environments which span two orders of magnitude in galaxy number density (n {approx} 300-10,000 galaxies Mpc{sup -3}) and include rich and poor clusters, such as the core of Coma, the A901/902 cluster, and Virgo. We speculate that the bar fraction among S0s is not significantly enhanced in rich clusters compared to low-density environments for two reasons. First, S0s in rich clusters are less prone to bar instabilities as they are dynamically heated by harassment and are gas poor as a result of ram pressure stripping and accelerated star formation. Second, high-speed encounters in rich clusters may be less effective than slow, strong encounters in inducing bars. (3) We also take advantage of the high resolution of the ACS ({approx}50 pc) to analyze a sample of 333 faint (M{sub V} > -18) dwarf galaxies in the Coma core. Using visual inspection of unsharp-masked images, we find only 13 galaxies with bar and/or spiral structure. An additional eight galaxies show evidence for an inclined disk. The paucity of disk structures in Coma dwarfs suggests that either disks are not common in these galaxies or that any disks present are too hot to develop instabilities.« less

A soft X-ray map of the Perseus cluster of galaxies

NASA Technical Reports Server (NTRS)

Cash, W.; Malina, R. F.; Wolff, R. S.

1976-01-01

A 0.5-3-keV X-ray map of the Perseus cluster of galaxies is presented. The map shows a region of strong emission centered near NGC 1275 plus a highly elongated emission region which lies along the line of bright galaxies that dominates the core of the cluster. The data are compared with various models that include point and diffuse sources. One model which adequately represents the data is the superposition of a point source at NGC 1275 and an isothermal ellipsoid resulting from the bremsstrahlung emission of cluster gas. The ellipsoid has a major core radius of 20.5 arcmin and a minor core radius of 5.5 arcmin, consistent with the values obtained from galaxy counts. All acceptable models provide evidence for a compact source (less than 3 arcmin FWHM) at NGC 1275 containing about 25% of the total emission. Since the diffuse X-ray and radio components have radically different morphologies, it is unlikely that the emissions arise from a common source, as proposed in inverse-Compton models.

A comprehensive study of the rich open star cluster NGC 2099 based on deep BVI CCD observations

NASA Astrophysics Data System (ADS)

Nilakshi,; Sagar, R.

2002-01-01

The CCD observations of the rich open star cluster NGC 2099 and its surrounding field region have been carried out up to a limiting magnitude of V ~ 22 mag in B, V and I passbands for the first time. A total of ~ 12 000 stars have been observed in the area of about 24arcmin x 34arcmin in the cluster region, as well as ~ 2180 stars in the ~ 12arcmin x 12arcmin area of the field region located ~ 45arcmin away from the cluster center. The cluster parameters determined by fitting the convective core overshoot isochrones in the V, (B-V) and V, (V-I) diagrams are E(B-V) = 0.30+/-0.04 mag, distance = 1360+/- 100 pc, age = 400 Myr and metallicity Z = 0.008. A well-defined cluster main sequence spread over about 8 mag in range is observed for the first time. Its intrinsic spread amounting to ~ 0.06 mag in colour is almost the same over the entire brightness and can be understood in terms of the presence of physical/optical binaries. The core and cluster radii determined from the radial stellar density profiles are 185 arcsec and 1000 arcsec respectively. Only about 22% of cluster members are present in the core region. The effects of mass segregation, most probably due to dynamical evolution, have been observed in the cluster. The mass function slope of the entire cluster is ~ -0.67+/-0.12. It becomes closer to the Salpeter value of -1.35, if flattening in the cluster mass function due to presence of both binaries and a much more extended corona is considered. Full Table 4 is only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/381/65

Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics

NASA Astrophysics Data System (ADS)

Ünal, Aslı; Bozkaya, Uǧur

2018-03-01

An extensive study of structures and energetics for anionic pentamer and hexamer clusters is performed employing high level ab initio quantum chemical methods, such as the density-fitted orbital-optimized linearized coupled-cluster doubles (DF-OLCCD), coupled-cluster singles and doubles (CCSD), and coupled-cluster singles and doubles with perturbative triples [CCSD(T)] methods. In this study, sixteen anionic pentamer clusters and eighteen anionic hexamer clusters are reported. Relative, binding, and vertical detachment energies (VDE) are presented at the complete basis set limit (CBS), extrapolating energies of aug4-cc-pVTZ and aug4-cc-pVQZ custom basis sets. The largest VDE values obtained at the CCSD(T)/CBS level are 9.9 and 11.2 kcal mol-1 for pentamers and hexamers, respectively, which are in very good agreement with the experimental values of 9.5 and 11.1 kcal mol-1. Our binding energy results, at the CCSD(T)/CBS level, indicate strong bindings in anionic clusters due to hydrogen bond interactions. The average binding energy per water molecules is -5.0 and -5.3 kcal mol-1 for pentamers and hexamers, respectively. Furthermore, our results demonstrate that the DF-OLCCD method approaches to the CCSD(T) quality for anionic clusters. The inexpensive analytic gradients of DF-OLCCD compared to CCSD or CCSD(T) make it very attractive for high-accuracy studies.

Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics.

PubMed

Ünal, Aslı; Bozkaya, Uğur

2018-03-28

An extensive study of structures and energetics for anionic pentamer and hexamer clusters is performed employing high level ab initio quantum chemical methods, such as the density-fitted orbital-optimized linearized coupled-cluster doubles (DF-OLCCD), coupled-cluster singles and doubles (CCSD), and coupled-cluster singles and doubles with perturbative triples [CCSD(T)] methods. In this study, sixteen anionic pentamer clusters and eighteen anionic hexamer clusters are reported. Relative, binding, and vertical detachment energies (VDE) are presented at the complete basis set limit (CBS), extrapolating energies of aug4-cc-pVTZ and aug4-cc-pVQZ custom basis sets. The largest VDE values obtained at the CCSD(T)/CBS level are 9.9 and 11.2 kcal mol -1 for pentamers and hexamers, respectively, which are in very good agreement with the experimental values of 9.5 and 11.1 kcal mol -1 . Our binding energy results, at the CCSD(T)/CBS level, indicate strong bindings in anionic clusters due to hydrogen bond interactions. The average binding energy per water molecules is -5.0 and -5.3 kcal mol -1 for pentamers and hexamers, respectively. Furthermore, our results demonstrate that the DF-OLCCD method approaches to the CCSD(T) quality for anionic clusters. The inexpensive analytic gradients of DF-OLCCD compared to CCSD or CCSD(T) make it very attractive for high-accuracy studies.

Experimental observation of chimera and cluster states in a minimal globally coupled network

NASA Astrophysics Data System (ADS)

Hart, Joseph D.; Bansal, Kanika; Murphy, Thomas E.; Roy, Rajarshi

2016-09-01

A "chimera state" is a dynamical pattern that occurs in a network of coupled identical oscillators when the symmetry of the oscillator population is broken into synchronous and asynchronous parts. We report the experimental observation of chimera and cluster states in a network of four globally coupled chaotic opto-electronic oscillators. This is the minimal network that can support chimera states, and our study provides new insight into the fundamental mechanisms underlying their formation. We use a unified approach to determine the stability of all the observed partially synchronous patterns, highlighting the close relationship between chimera and cluster states as belonging to the broader phenomenon of partial synchronization. Our approach is general in terms of network size and connectivity. We also find that chimera states often appear in regions of multistability between global, cluster, and desynchronized states.

Cluster dynamics of pulse coupled oscillators

NASA Astrophysics Data System (ADS)

O'Keeffe, Kevin; Strogatz, Steven; Krapivsky, Paul

2015-03-01

We study the dynamics of networks of pulse coupled oscillators. Much attention has been devoted to the ultimate fate of the system: which conditions lead to a steady state in which all the oscillators are firing synchronously. But little is known about how synchrony builds up from an initially incoherent state. The current work addresses this question. Oscillators start to synchronize by forming clusters of different sizes that fire in unison. First pairs of oscillators, then triplets and so on. These clusters progressively grow by coalescing with others, eventually resulting in the fully synchronized state. We study the mean field model in which the coupling between oscillators is all to all. We use probabilistic arguments to derive a recursive set of evolution equations for these clusters. Using a generating function formalism, we derive simple equations for the moments of these clusters. Our results are in good agreement simulation. We then numerically explore the effects of non-trivial connectivity. Our results have potential application to ultra-low power ``impulse radio'' & sensor networks.

Coupled and decoupled on-chip solenoid inductors with nanogranular magnetic cores

NASA Astrophysics Data System (ADS)

He, Yuhan; Wang, Luo; Wang, Yicheng; Zhang, Huaiwu; Peng, Dongliang; Bai, Feiming

2017-12-01

On-chip integrated solenoid inductors with multilayered nanogranular magnetic cores have been designed and fabricated on silicon wafers. Both decoupled and coupled inductors with multilayered magnetic cores were studied. For the decoupled inductor, an inductance of 14.2 nH or an equivalent inductance area density greater than 100 nH/mm2 was obtained, which is about 14 times of that of the air-core inductor, and the quality factor is 7.5 at 130 MHz. For the coupled inductor, an even higher peak quality factor of 17 was achieved at 300 MHz, however, the inductance area density decreased to 34 nH/mm2. The reason of the enhanced peak quality factor was attributed to less spike domains on the edge of the closure-loop shaped magnetic core, and therefore higher permeability and more uniform uniaxial anisotropy.

The Fornax Cluster VLT Spectroscopic Survey II - Planetary Nebulae kinematics within 200 kpc of the cluster core

NASA Astrophysics Data System (ADS)

Spiniello, C.; Napolitano, N. R.; Arnaboldi, M.; Tortora, C.; Coccato, L.; Capaccioli, M.; Gerhard, O.; Iodice, E.; Spavone, M.; Cantiello, M.; Peletier, R.; Paolillo, M.; Schipani, P.

2018-06-01

We present the largest and most spatially extended planetary nebulae (PNe) catalogue ever obtained for the Fornax cluster. We measured velocities of 1452 PNe out to 200 kpc in the cluster core using a counter-dispersed slitless spectroscopic technique with data from FORS2 on the Very Large Telescope (VLT). With such an extended spatial coverage, we can study separately the stellar haloes of some of the cluster main galaxies and the intracluster light. In this second paper of the Fornax Cluster VLT Spectroscopic Survey, we identify and classify the emission-line sources, describe the method to select PNe, and calculate their coordinates and velocities from the dispersed slitless images. From the PN 2D velocity map, we identify stellar streams that are possibly tracing the gravitational interaction of NGC 1399 with NGC 1404 and NGC 1387. We also present the velocity dispersion profile out to ˜200 kpc radii, which shows signatures of a superposition of the bright central galaxy and the cluster potential, with the latter clearly dominating the regions outside R ˜ 1000 arcsec (˜100 kpc).

Structures of 38-atom gold-platinum nanoalloy clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ong, Yee Pin; Yoon, Tiem Leong; Lim, Thong Leng

2015-04-24

Bimetallic nanoclusters, such as gold-platinum nanoclusters, are nanomaterials promising wide range of applications. We perform a numerical study of 38-atom gold-platinum nanoalloy clusters, Au{sub n}Pt{sub 38−n} (0 ≤ n ≤ 38), to elucidate the geometrical structures of these clusters. The lowest-energy structures of these bimetallic nanoclusters at the semi-empirical level are obtained via a global-minimum search algorithm known as parallel tempering multi-canonical basin hopping plus genetic algorithm (PTMBHGA), in which empirical Gupta many-body potential is used to describe the inter-atomic interactions among the constituent atoms. The structures of gold-platinum nanoalloy clusters are predicted to be core-shell segregated nanoclusters. Gold atomsmore » are observed to preferentially occupy the surface of the clusters, while platinum atoms tend to occupy the core due to the slightly smaller atomic radius of platinum as compared to gold’s. The evolution of the geometrical structure of 38-atom Au-Pt clusters displays striking similarity with that of 38-atom Au-Cu nanoalloy clusters as reported in the literature.« less

Hierarchical Velocity Structure in the Core of Abell 2597

NASA Technical Reports Server (NTRS)

Still, Martin; Mushotzky, Richard

2004-01-01

We present XMM-Newton RGS and EPIC data of the putative cooling flow cluster Abell 2597. Velocities of the low-ionization emission lines in the spectrum are blue shifted with respect to the high-ionization lines by 1320 (sup +660) (sub -210) kilometers per second, which is consistent with the difference in the two peaks of the galaxy velocity distribution and may be the signature of bulk turbulence, infall, rotation or damped oscillation in the cluster. A hierarchical velocity structure such as this could be the direct result of galaxy mergers in the cluster core, or the injection of power into the cluster gas from a central engine. The uniform X-ray morphology of the cluster, the absence of fine scale temperature structure and the random distribution of the the galaxy positions, independent of velocity, suggests that our line of sight is close to the direction of motion. These results have strong implications for cooling flow models of the cluster Abell 2597. They give impetus to those models which account for the observed temperature structure of some clusters using mergers instead of cooling flows.

Galactic cannibalism. III. The morphological evolution of galaxies and clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hausman, M.A.; Ostriker, J.P.

1978-09-01

We present a numerical simulation for the evolution of massive cluster galaxies due to the accretion of other galaxies, finding that after several accretions a bright ''normal'' galaxy begins to resemble a cD giant, with a bright core and large core radius. Observable quantities such as color, scale size, and logarithmic intensity gradient ..cap alpha.. are calculated and are consistent with observations. The multiple nuclei sometimes found in cD galaxies may be understood as the undigested remnants of cannibalized companions. A cluster's bright galaxies are selectively depleted, an effect which can transform the cluster's luminosity function from a power lawmore » to the observed form with a steep high-luminosity falloff and which pushes the turnover point to lower luminosities with time. We suggest that these effects may account for apparent nonstatistical features observed in the luminosity distribution of bright cluster galaxies, and that the sequence of cluster types discovered by Bautz and Morgan and Oemler is essentially one of increasing dynamical evolution, the rate of evolution depending inversely on the cluster's central relaxation time.« less

Active galactic nuclei. III - Accretion flow in an externally supplied cluster of black holes

NASA Technical Reports Server (NTRS)

Pacholczyk, A. G.; Stoeger, W. R.; Stepinski, T. F.

1989-01-01

This third paper in the series modeling QSOs and AGNs as clusters of accreting black holes studies the accretion flow within an externally supplied cluster. Significant radiation will be emitted by the cluster core, but the black holes in the outer halo, where the flow is considered spherically symmetric, will not contribute much to the overall luminosity of the source because of their large velocities relative to the infalling gas and therefore their small accretion radii. As a result, the scenario discussed in Paper I will refer to the cluster cores, rather than to entire clusters. This will steepen the high-frequency region of the spectrum unless inverse Compton scattering is effective. In many cases accretion flow in the central part of the cluster will be optically thick to electron scattering, resulting in a spectrum featuring optically thick radiative component in addition to power-law regimes. The fitting of these spectra to QSO and AGN observations is discussed, and application to 3C 273 is worked out as an example.

Tracing the `ninth sulfur' of the nitrogenase cofactor via a semi-synthetic approach

NASA Astrophysics Data System (ADS)

Tanifuji, Kazuki; Lee, Chi Chung; Sickerman, Nathaniel S.; Tatsumi, Kazuyuki; Ohki, Yasuhiro; Hu, Yilin; Ribbe, Markus W.

2018-05-01

The M-cluster is the [(homocitrate)MoFe7S9C] active site of nitrogenase that is derived from an 8Fe core assembled viacoupling and rearrangement of two [Fe4S4] clusters concomitant with the insertion of an interstitial carbon and a `ninth sulfur'. Combining synthetic [Fe4S4] clusters with an assembly protein template, here we show that sulfite can give rise to the ninth sulfur that is incorporated in the catalytically important belt region of the cofactor after the radical S-adenosyl-l-methionine-dependent carbide insertion and the concurrent 8Fe-core rearrangement have already taken place. Based on the differential reactivity of the formed cluster species, we also propose a new [Fe8S8C] cluster intermediate, the L*-cluster, which is similar to the [Fe8S9C] L-cluster, but lacks the ninth sulfur from sulfite. This work provides a semi-synthetic tool for protein reconstitution that could be widely applicable for the functional analysis of other FeS systems.

Tracing the 'ninth sulfur' of the nitrogenase cofactor via a semi-synthetic approach.

PubMed

Tanifuji, Kazuki; Lee, Chi Chung; Sickerman, Nathaniel S; Tatsumi, Kazuyuki; Ohki, Yasuhiro; Hu, Yilin; Ribbe, Markus W

2018-05-01

The M-cluster is the [(homocitrate)MoFe 7 S 9 C] active site of nitrogenase that is derived from an 8Fe core assembled viacoupling and rearrangement of two [Fe 4 S 4 ] clusters concomitant with the insertion of an interstitial carbon and a 'ninth sulfur'. Combining synthetic [Fe 4 S 4 ] clusters with an assembly protein template, here we show that sulfite can give rise to the ninth sulfur that is incorporated in the catalytically important belt region of the cofactor after the radical S-adenosyl-L-methionine-dependent carbide insertion and the concurrent 8Fe-core rearrangement have already taken place. Based on the differential reactivity of the formed cluster species, we also propose a new [Fe 8 S 8 C] cluster intermediate, the L*-cluster, which is similar to the [Fe 8 S 9 C] L-cluster, but lacks the ninth sulfur from sulfite. This work provides a semi-synthetic tool for protein reconstitution that could be widely applicable for the functional analysis of other FeS systems.

Variation of heavy metals in recent sediments from Piratininga Lagoon (Brazil): interpretation of geochemical data with the aid of multivariate analysis

NASA Astrophysics Data System (ADS)

Huang, W.; Campredon, R.; Abrao, J. J.; Bernat, M.; Latouche, C.

1994-06-01

In the last decade, the Atlantic coast of south-eastern Brazil has been affected by increasing deforestation and anthropogenic effluents. Sediments in the coastal lagoons have recorded the process of such environmental change. Thirty-seven sediment samples from three cores in Piratininga Lagoon, Rio de Janeiro, were analyzed for their major components and minor element concentrations in order to examine geochemical characteristics and the depositional environment and to investigate the variation of heavy metals of environmental concern. Two multivariate analysis methods, principal component analysis and cluster analysis, were performed on the analytical data set to help visualize the sample clusters and the element associations. On the whole, the sediment samples from each core are similar and the sample clusters corresponding to the three cores are clearly separated, as a result of the different conditions of sedimentation. Some changes in the depositional environment are recognized using the results of multivariate analysis. The enrichment of Pb, Cu, and Zn in the upper parts of cores is in agreement with increasing anthropogenic influx (pollution).

The VERCE platform: Enabling Computational Seismology via Streaming Workflows and Science Gateways

NASA Astrophysics Data System (ADS)

Spinuso, Alessandro; Filgueira, Rosa; Krause, Amrey; Matser, Jonas; Casarotti, Emanuele; Magnoni, Federica; Gemund, Andre; Frobert, Laurent; Krischer, Lion; Atkinson, Malcolm

2015-04-01

The VERCE project is creating an e-Science platform to facilitate innovative data analysis and coding methods that fully exploit the wealth of data in global seismology. One of the technologies developed within the project is the Dispel4Py python library, which allows to describe abstract stream-based workflows for data-intensive applications and to execute them in a distributed environment. At runtime Dispel4Py is able to map workflow descriptions dynamically onto a number of computational resources (Apache Storm clusters, MPI powered clusters, and shared-memory multi-core machines, single-core machines), setting it apart from other workflow frameworks. Therefore, Dispel4Py enables scientists to focus on their computation instead of being distracted by details of the computing infrastructure they use. Among the workflows developed with Dispel4Py in VERCE, we mention here those for Seismic Ambient Noise Cross-Correlation and MISFIT calculation, which address two data-intensive problems that are common in computational seismology. The former, also called Passive Imaging, allows the detection of relative seismic-wave velocity variations during the time of recording, to be associated with the stress-field changes that occurred in the test area. The MISFIT instead, takes as input the synthetic seismograms generated from HPC simulations for a certain Earth model and earthquake and, after a preprocessing stage, compares them with real observations in order to foster subsequent model updates and improvement (Inversion). The VERCE Science Gateway exposes the MISFIT calculation workflow as a service, in combination with the simulation phase. Both phases can be configured, controlled and monitored by the user via a rich user interface which is integrated within the gUSE Science Gateway framework, hiding the complexity of accessing third parties data services, security mechanisms and enactment on the target resources. Thanks to a modular extension to the Dispel4Py framework, the system collects provenance data adopting the W3C-PROV data model. Provenance recordings can be explored and analysed at run time for rapid diagnostic and workflow steering, or later for further validation and comparisons across runs. We will illustrate the interactive services of the gateway and the capabilities of the produced metadata, coupled with the VERCE data management layer based on iRODS. The Cross-Correlation workflow was evaluated on SuperMUC, a supercomputing cluster at the Leibniz Supercomputing Centre in Munich, with 155,656 processor cores in 9400 compute nodes. SuperMUC is based on the Intel Xeon architecture consisting of 18 Thin Node Islands and one Fat Node Island. This work has only had access to the Thin Node Islands, which contain Sandy Bridge nodes, each having 16 cores and 32 GB of memory. In the evaluations we used 1000 stations, and we applied two types of methods (whiten and non-whiten) for pre-processing the data. The workflow was tested on a varying number of cores (16, 32, 64, 128, and 256 cores) using the MPI mapping of Dispel4Py. The results show that Dispel4Py is able to improve the performance by increasing the number of cores without changing the description of the workflow.

Multielectron donors based on TTF-phosphine and ferrocene-phosphine hybrid complexes of a hexarhenium(III) octahedral cluster core.

PubMed

Perruchas, Sandrine; Avarvari, Narcis; Rondeau, David; Levillain, Eric; Batail, Patrick

2005-05-16

Electroactive molecular materials precursors are obtained through coordination chemistry of the hexarhenium cluster core [Re(6)Se(8)](2+) on the six available apical positions with redox-active phosphines bearing tetrathiafulvalene- or ferrocene-based moieties. Single-crystal X-ray diffraction study and electrospray mass spectrometry ascertain the synthesis of these hexasubstituted electroactive clusters, containing up to 12 redox active sites. Cyclic voltammetry experiments demonstrate that these compounds can be reversibly oxidized at rather low potentials, thus allowing an easy access to the corresponding radical species which should provide new conducting and/or magnetic molecular materials.

Possibility of Exciton Mediated Superconductivity in Nano-Sized Sn/Si Core-Shell Clusters: A Process Technology towards Heterogeneous Material in Nano-Scale

NASA Astrophysics Data System (ADS)

Kurokawa, Yuichiro; Hihara, Takehiko; Ichinose, Ikuo; Sumiyama, Kenji

2012-07-01

We have produced Sn/Si core-shell cluster assemblies by a plasma-gas-condensation cluster beam deposition apparatus. For the sample with Si content = 12 at. %, the temperature dependence of electrical resistivity exhibits a metallic behavior above 10 K and the onset of superconducting transition below 6.1 K. With decreasing temperature, the thermomagnetic curve for the sample with Si content = 8 at. % begins to decrease steadily toward negative value below 7.7 K, indicating the Meissner effect. An increase in the transition temperature, TC is attributable to exciton-type superconductivity.

Electron-correlation study of Y III-Tc VII ions using a relativistic coupled-cluster theory

NASA Astrophysics Data System (ADS)

Das, Arghya; Bhowmik, Anal; Nath Dutta, Narendra; Majumder, Sonjoy

2018-01-01

Spectroscopic properties, useful for plasma diagnostics and astrophysics, of a few rubidium-like ions are studied here. We choose one of the simplest, but correlationally challenging series where d- and f-orbitals are present in the core and/or valence shells with 4d {}2{D}3/2 as the ground state. We study different correlation characteristics of this series and make precise calculations of electronic structure and rates of electromagnetic transitions. Our calculated lifetimes and transition rates are compared with other available experimental and theoretical values. Radiative rates of vacuum ultraviolet electromagnetic transitions of the long lived Tc6+ ion, useful in several areas of physics and chemistry, are estimated. To the best of our knowledge, there is no literature for most of these transitions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

Polymorphism in magic-sized Au144(SR)60 clusters

DOE PAGES

Jensen, Kirsten M. O.; Juhas, Pavol; Tofanelli, Marcus A.; ...

2016-06-14

Ultra-small, magic-sized metal nanoclusters represent an important new class of materials with properties between molecules and particles. However, their small size challenges the conventional methods for structure characterization. We present the structure of ultra-stable Au144(SR)60 magic-sized nanoclusters obtained from atomic pair distribution function analysis of X-ray powder diffraction data. Our study reveals structural polymorphism in these archetypal nanoclusters. Additionally, in order to confirm the theoretically predicted icosahedral-cored cluster, we also find samples with a truncated decahedral core structure, with some samples exhibiting a coexistence of both cluster structures. Although the clusters are monodisperse in size, structural diversity is apparent. Finally,more » the discovery of polymorphism may open up a new dimension in nanoscale engineering.« less

GEMINI/GMOS SPECTROSCOPY OF 26 STRONG-LENSING-SELECTED GALAXY CLUSTER CORES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bayliss, Matthew B.; Gladders, Michael D.; Koester, Benjamin P.

2011-03-15

We present results from a spectroscopic program targeting 26 strong-lensing cluster cores that were visually identified in the Sloan Digital Sky Survey (SDSS) and the Second Red-Sequence Cluster Survey (RCS-2). The 26 galaxy cluster lenses span a redshift range of 0.2 < z < 0.65, and our spectroscopy reveals 69 unique background sources with redshifts as high as z = 5.200. We also identify redshifts for 262 cluster member galaxies and measure the velocity dispersions and dynamical masses for 18 clusters where we have redshifts for N {>=} 10 cluster member galaxies. We account for the expected biases in dynamicalmore » masses of strong-lensing-selected clusters as predicted by results from numerical simulations and discuss possible sources of bias in our observations. The median dynamical mass of the 18 clusters with N {>=} 10 spectroscopic cluster members is M {sub Vir} = 7.84 x 10{sup 14} M {sub sun} h {sup -1} {sub 0.7}, which is somewhat higher than predictions for strong-lensing-selected clusters in simulations. The disagreement is not significant considering the large uncertainty in our dynamical data, systematic uncertainties in the velocity dispersion calibration, and limitations of the theoretical modeling. Nevertheless our study represents an important first step toward characterizing large samples of clusters that are identified in a systematic way as systems exhibiting dramatic strong-lensing features.« less

THE BRIGHTEST CLUSTER GALAXY IN A85: THE LARGEST CORE KNOWN SO FAR

DOE Office of Scientific and Technical Information (OSTI.GOV)

López-Cruz, O.; Añorve, C.; Ibarra-Medel, H. J.

2014-11-10

We have found that the brightest cluster galaxy (BCG) in A85, Holm 15A, displays the largest core known so far. Its cusp radius, r {sub γ} = 4.57 ± 0.06 kpc (4.''26 ± 0.''06), is more than 18 times larger than the mean for BCGs and ≳ 1 kpc larger than A2261-BCG, hitherto the largest-cored BCG. Holm 15A hosts the luminous amorphous radio source 0039-095B and has the optical signature of a LINER. Scaling laws indicate that this core could host a supermassive black hole (SMBH) of mass M {sub •} ∼ (10{sup 9}-10{sup 11}) M {sub ☉}. We suggestmore » that cores this large represent a relatively short phase in the evolution of BCGs, whereas the masses of their associated SBMH might be set by initial conditions.« less

Shell effect on the electron and hole reorganization energy of core-shell II-VI nanoclusters

NASA Astrophysics Data System (ADS)

Cui, Xianhui; Wang, Xinqin; Yang, Fang; Cui, Yingqi; Yang, Mingli

2017-09-01

Density functional theory calculations were performed to study the effect of shell encapsulation on the geometrical and electronic properties of pure and hybrid core-shell CdSe nanoclusters. The CdSe cores are distorted by the shells, and the shells exhibit distinct surface activity from the cores, which leads to remarkable changes in their electron transition behaviors. Although the electron and hole reorganization energies, which are related to the formation and recombination of electron-hole pairs, vary in a complicated way, their itemized contributions, potentials of electron extraction, ionization and affinity, and hole extraction (HEP), are dependent on the cluster size, shell composition and/or solvent. Our calculations suggest that the behaviors of charge carriers, free electrons and holes, in the semiconductor core-shell nanoclusters can be modulated by selecting appropriate cluster size and controlling the chemical composition of the shells.

Optical observations of NGC 2915: A nearby blue compact dwarf galaxy

NASA Technical Reports Server (NTRS)

Meurer, G. R.; Mackie, G.; Carignan, C.

1994-01-01

This paper presents B and R band Charge Coupled Device (CCD) images and medium resolution spectroscopy of NGC 2915, a relatively isolated BCD (blue compact dwarf) galaxy at a distance of approximately 5 Mpc. NGC 2915 contains two stellar populations: a high surface brightness blue core population and a red diffuse population. The core population contains all of the H II, and numerous embedded objects. It is the locus of current high mass star formation. The brightest embedded objects are likely to be young ionizing clusters, while many of the fainter objects are likely to be individual supergiant stars with masses up to approximately 25 solar mass, or blends of a few such stars. Curious aligned structures on the SE side of the galaxy are seen and their nature discussed. The spectrum of the core is dominated by bright narrow emission lines like that of a high excitation and low metallicity (less than half solar) H II region. The continuum is flat, with Balmer and Ca II features seen in absorption. The velocity of the Ca II features suggest contamination by galactic interstellar absorption. There is a significant velocity gradient in the spectra, probably indicative of rotation. Outside of its core, NGC 2915 resembles a dE (dwarf elliptical) galaxy, in that it has an exponential surface brightness profile, is red ((B-R)(sub 0) = 1.65), and has a low extrapolated central surface brightness (B(0)(sub c) = 22.44). NGC 2915's properties are compared with other BCDs, concentrating on two morphologically similar BCDs that are near enough to resolve into stars: NGC 1705 and NGC 5253. It is noted that the presence of winds in BCDs invalidates closed box chemical evolution models and the remaining constraints on star formation duration are relatively weak. Some BCDs, including NGC 2915, may be able to maintain their present star formation rate for Gyr time scales. This suggests that the overall evolution of these BCDs may be much slower than the approximately 10 Myr burst time scales commonly quoted. However, shortly after the formation of a massive (10(exp 6) solar mass) cluster a BCD will have all the properties of strong starburst galaxy).

Bonding properties of FCC-like Au 44 (SR) 28 clusters from X-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Rui; Chevrier, Daniel M.; Zeng, Chenjie

Thiolate-protected gold clusters with precisely controlled atomic composition have recently emerged as promising candidates for a variety of applications because of their unique optical, electronic, and catalytic properties. The recent discovery of the Au44(SR)28 total structure is considered as an interesting finding in terms of the face-centered cubic (FCC)-like core structure in small gold-thiolate clusters. Herein, the unique bonding properties of Au44(SR)28 is analyzed using temperature-dependent X-ray absorption spectroscopy (XAS) measurements at the Au L3-edge and compared with other FCC-like clusters such as Au36(SR)24 and Au28(SR)20. A negative thermal expansion was detected for the Au–Au bonds of the metal coremore » (the first Au–Au shell) and was interpreted based on the unique Au core structure consisting of the Au4 units. EXAFS fitting results from Au28(SR)20, Au36(SR)24, and Au44(SR)28 show a size-dependent negative thermal expansion behavior in the first Au–Au shell, further highlighting the importance of the Au4 units in determining the Au core bonding properties and shedding light on the growth mechanism of these FCC-like Au clusters.« less

A population of faint low surface brightness galaxies in the Perseus cluster core

NASA Astrophysics Data System (ADS)

Wittmann, Carolin; Lisker, Thorsten; Ambachew Tilahun, Liyualem; Grebel, Eva K.; Conselice, Christopher J.; Penny, Samantha; Janz, Joachim; Gallagher, John S.; Kotulla, Ralf; McCormac, James

2017-09-01

We present the detection of 89 low surface brightness (LSB), and thus low stellar density galaxy candidates in the Perseus cluster core, of the kind named 'ultra-diffuse galaxies', with mean effective V-band surface brightnesses 24.8-27.1 mag arcsec-2, total V-band magnitudes -11.8 to -15.5 mag, and half-light radii 0.7-4.1 kpc. The candidates have been identified in a deep mosaic covering 0.3 deg2, based on wide-field imaging data obtained with the William Herschel Telescope. We find that the LSB galaxy population is depleted in the cluster centre and only very few LSB candidates have half-light radii larger than 3 kpc. This appears consistent with an estimate of their tidal radius, which does not reach beyond the stellar extent even if we assume a high dark matter content (M/L = 100). In fact, three of our candidates seem to be associated with tidal streams, which points to their current disruption. Given that published data on faint LSB candidates in the Coma cluster - with its comparable central density to Perseus - show the same dearth of large objects in the core region, we conclude that these cannot survive the strong tides in the centres of massive clusters.

The VMC Survey. XI. Radial Stellar Population Gradients in the Galactic Globular Cluster 47 Tucanae

NASA Astrophysics Data System (ADS)

Li, Chengyuan; de Grijs, Richard; Deng, Licai; Rubele, Stefano; Wang, Chuchu; Bekki, Kenji; Cioni, Maria-Rosa L.; Clementini, Gisella; Emerson, Jim; For, Bi-Qing; Girardi, Leo; Groenewegen, Martin A. T.; Guandalini, Roald; Gullieuszik, Marco; Marconi, Marcella; Piatti, Andrés E.; Ripepi, Vincenzo; van Loon, Jacco Th.

2014-07-01

We present a deep near-infrared color-magnitude diagram of the Galactic globular cluster 47 Tucanae, obtained with the Visible and Infrared Survey Telescope for Astronomy (VISTA) as part of the VISTA near-infrared Y, J, K s survey of the Magellanic System (VMC). The cluster stars comprising both the subgiant and red giant branches exhibit apparent, continuous variations in color-magnitude space as a function of radius. Subgiant branch stars at larger radii are systematically brighter than their counterparts closer to the cluster core; similarly, red-giant-branch stars in the cluster's periphery are bluer than their more centrally located cousins. The observations can very well be described by adopting an age spread of ~0.5 Gyr as well as radial gradients in both the cluster's helium abundance (Y) and metallicity (Z), which change gradually from (Y = 0.28, Z = 0.005) in the cluster core to (Y = 0.25, Z = 0.003) in its periphery. We conclude that the cluster's inner regions host a significant fraction of second-generation stars, which decreases with increasing radius; the stellar population in the 47 Tuc periphery is well approximated by a simple stellar population.

Radial Stellar Population Gradients in the Galactic Globular Cluster 47 Tucanae

NASA Astrophysics Data System (ADS)

de Grijs, Richard; Li, Chengyuan; Deng, Licai

2015-01-01

We present a deep near-infrared color-magnitude diagram of the Galactic globular cluster 47 Tucanae, obtained with the Visible and Infrared Survey Telescope for Astronomy (VISTA) as part of the VISTA near-infrared Y, J, Ks survey of the Magellanic System (VMC). The cluster stars comprising both the subgiant and red-giant branches exhibit apparent, continuous variations in color-magnitude space as a function of radius. Subgiant-branch stars at larger radii are systematically brighter than their counterparts closer to the cluster core; similarly, red-giant-branch stars in the cluster's periphery are bluer than their more centrally located cousins. The observations can very well be described by adopting an age spread of ~0.5 Gyr as well as radial gradients in both the cluster's helium abundance (Y) and metallicity (Z), which change gradually from Y = 0.28, Z = 0.005 in the cluster core to Y = 0.25, Z = 0.003 in its periphery. We conclude that the cluster's inner regions host a significant fraction of second-generation stars, which decreases with increasing radius; the stellar population in the 47 Tuc periphery is well approximated by a simple stellar population.

Baryon Distribution in Galaxy Clusters as a Result of Sedimentation of Helium Nuclei.

PubMed

Qin; Wu

2000-01-20

Heavy particles in galaxy clusters tend to be more centrally concentrated than light ones according to the Boltzmann distribution. An estimate of the drift velocity suggests that it is possible that the helium nuclei may have entirely or partially sedimented into the cluster core within the Hubble time. We demonstrate this scenario using the Navarro-Frenk-White profile as the dark matter distribution of clusters and assuming that the intracluster gas is isothermal and in hydrostatic equilibrium. We find that a greater fraction of baryonic matter is distributed at small radii than at large radii, which challenges the prevailing claim that the baryon fraction increases monotonically with cluster radius. It shows that the conventional mass estimate using X-ray measurements of intracluster gas along with a constant mean molecular weight may have underestimated the total cluster mass by approximately 20%, which in turn leads to an overestimate of the total baryon fraction by the same percentage. Additionally, it is pointed out that the sedimentation of helium nuclei toward cluster cores may at least partially account for the sharp peaks in the central X-ray emissions observed in some clusters.

The VMC survey. XI. Radial stellar population gradients in the galactic globular cluster 47 Tucanae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Chengyuan; De Grijs, Richard; Deng, Licai

2014-07-20

We present a deep near-infrared color-magnitude diagram of the Galactic globular cluster 47 Tucanae, obtained with the Visible and Infrared Survey Telescope for Astronomy (VISTA) as part of the VISTA near-infrared Y, J, K{sub s} survey of the Magellanic System (VMC). The cluster stars comprising both the subgiant and red giant branches exhibit apparent, continuous variations in color-magnitude space as a function of radius. Subgiant branch stars at larger radii are systematically brighter than their counterparts closer to the cluster core; similarly, red-giant-branch stars in the cluster's periphery are bluer than their more centrally located cousins. The observations can verymore » well be described by adopting an age spread of ∼0.5 Gyr as well as radial gradients in both the cluster's helium abundance (Y) and metallicity (Z), which change gradually from (Y = 0.28, Z = 0.005) in the cluster core to (Y = 0.25, Z = 0.003) in its periphery. We conclude that the cluster's inner regions host a significant fraction of second-generation stars, which decreases with increasing radius; the stellar population in the 47 Tuc periphery is well approximated by a simple stellar population.« less

Fusion splice between tapered inhibited coupling hypocycloid-core Kagome fiber and SMF.

PubMed

Zheng, Ximeng; Debord, Benoît; Vincetti, Luca; Beaudou, Benoît; Gérôme, Frédéric; Benabid, Fetah

2016-06-27

We report for the first time on tapering inhibited coupling (IC) hypocycloid-core shape Kagome hollow-core photonic crystal fibers whilst maintaining their delicate core-contour negative curvature with a down-ratio as large as 2.4. The transmission loss of down-tapered sections reaches a figure as low as 0.07 dB at 1550 nm. The tapered IC fibers are also spliced to standard SMF with a total insertion loss of 0.48 dB. These results show that all-fiber photonic microcells with the ultra-low loss hypocycloid core-contour Kagome fibers is now possible.

Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brabec, Jiri; Banik, Subrata; Kowalski, Karol

2016-10-28

The implementation details of the universal state-selective (USS) multi-reference coupled cluster (MRCC) formalism with singles and doubles (USS(2)) are discussed on the example of several benchmark systems. We demonstrate that the USS(2) formalism is capable of improving accuracies of state specific multi-reference coupled-cluster (MRCC) methods based on the Brillouin-Wigner and Mukherjee’s sufficiency conditions. Additionally, it is shown that the USS(2) approach significantly alleviates problems associated with the lack of invariance of MRCC theories upon the rotation of active orbitals. We also discuss the perturbative USS(2) formulations that significantly reduce numerical overhead of the full USS(2) method.

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

NASA Astrophysics Data System (ADS)

Sato, Takeshi; Pathak, Himadri; Orimo, Yuki; Ishikawa, Kenichi L.

2018-02-01

Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics.

PubMed

Sato, Takeshi; Pathak, Himadri; Orimo, Yuki; Ishikawa, Kenichi L

2018-02-07

Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

Defining the minimum size of a hydrophobic cluster in two-stranded α-helical coiled-coils: Effects on protein stability

PubMed Central

Lu, Stephen M.; Hodges, Robert S.

2004-01-01

The α-helical coiled-coil motif is characterized by a heptad repeat pattern (abcdefg)n in which residues a and d form the hydrophobic core. Long coiled-coils (e.g., tropomyosin, 284 residues per polypeptide chain) typically do not have a continuous hydrophobic core of stabilizing residues, but rather one that consists of alternating clusters of stabilizing and destabilizing residues. We have arbitrarily defined a cluster as a minimum of three consecutive stabilizing or destabilizing residues in the hydrophobic core. We report here on a series of two-stranded, disulfide-bridged parallel α-helical coiled-coils that contain a central cassette of three consecutive hydrophobic core positions (d, a, and d) with a destabilizing cluster of three consecutive Ala residues in the hydrophobic core on each side of the cassette. The effect of adding one to three stabilizing hydrophobes in these positions (Leu or Ile; denoted as •) was investigated. Alanine residues (denoted as ○) are used to represent destabilizing residues. The peptide with three Ala residues in the d a d cassette positions (○○○) was among the least stable coiled-coil (Tm = 39.3°C and Urea1/2 = 1.9 M). Surprisingly, the addition of one stabilizing hydrophobe (Leu) to the cassette or two stabilizing hydrophobes (Leu), still interspersed by an Ala in the cassette (•○•), also did not lead to any gain in stability. However, peptides with two adjacent hydrophobes in the cassette (••○)(○••) did show a gain in stability of 0.9 kcal/mole over the peptide with two interspersed hydrophobes (•○•). Because the latter three peptides have the same inherent hydrophobicity, the juxtaposition of stabilizing hydrophobes leads to a synergistic effect, and thus a clustering effect. The addition of a third stabilizing hydrophobe to the cassette (•••) resulted in a further synergistic gain in stability of 1.7 kcal/mole (Tm = 54.1°C and Urea1/2 = 3.3M). Therefore, the role of hydrophobicity in the hydrophobic core of coiled-coils is extremely context dependent and clustering is an important aspect of protein folding and stability. PMID:14978309

Chandra Catches Early Phase of Cosmic Assembly

NASA Astrophysics Data System (ADS)

2004-08-01

A NASA Chandra X-ray Observatory image has revealed a complex of several intergalactic hot gas clouds in the process of merging. The superb Chandra spatial resolution made it possible to distinguish individual galaxies from the massive clouds of hot gas. One of the clouds, which that envelops hundreds of galaxies, has an extraordinarily low concentration of iron atoms, indicating that it is in the very early stages of cluster evolution. "We may be seeing hot intergalactic gas in a relatively pristine state before it has been polluted by gas from galaxies," said Q. Daniel Wang of the University of Massachusetts in Amherst, and lead author on an upcoming Astrophysical Journal article describing the study. "This discovery should provide valuable insight into how the most massive structures in the universe are assembled." 3-Panel Image of Abell 2125, Its Core & Galaxy C153 3-Panel Image of Abell 2125, Its Core & Galaxy C153 The complex, known as Abell 2125,is about 3 billion light years from Earth, and is seen at a time about 11 billion years after the Big Bang, when many galaxy clusters are believed to have formed. The Chandra Abell 2125 image shows several huge elongated clouds of multimillion degree gas coming together from different directions. These hot gas clouds, each of which contains hundreds of galaxies, appear to be in the process of merging to form a single massive galaxy cluster. Chandra, Hubble Space Telescope, and Very Large Array radio telescope data show that several galaxies in the Abell 2125 core cluster are being stripped of their gas as they fall through surrounding high-pressure hot gas. This stripping process has enriched the core cluster's gas in heavy elements such as iron. Abell 2125's Core & Galaxy C153 Abell 2125's Core & Galaxy C153 The gas in the pristine cloud, which is still several million light years away from the core cluster, is conspicuous for its lack of iron atoms. This anemic cloud must be in a very early evolutionary stage. The iron atoms produced by supernovas in the embedded galaxies must still be contained in and around the galaxies, perhaps in grains of dust not well mixed with the observed X-ray-emitting gas. Over time, as the cluster merges with the other clusters and the hot gas pressure increases, the dust grains will be driven from the galaxies, mixed with the hot gas, and destroyed, liberating the iron atoms. Building a massive galaxy cluster is a step-by-step enterprise that takes billions of years. Exactly how long it takes for such a cluster to form depends on many factors, such as the density of subclusters in the vicinity, the rate of the expansion of the universe, and the relative amounts of dark energy and dark matter. Chandra X-ray Image of Abell 2125, Low Energy Chandra X-ray Image of Abell 2125, Low Energy Cluster formation also involves complex interactions between the galaxies and the hot gas that may determine how large the galaxies in the cluster can ultimately become. These interactions determine how the galaxies maintain their gas content, the fuel for star formation. The observations of Abell 2125 provide a rare glimpse into the early steps in this process. NASA's Marshall Space Flight Center, Huntsville, Ala., manages the Chandra program for NASA's Office of Space Science, Washington. Northrop Grumman of Redondo Beach, Calif., formerly TRW, Inc., was the prime development contractor for the observatory. The Smithsonian Astrophysical Observatory controls science and flight operations from the Chandra X-ray Center in Cambridge, Mass. Additional information and images are available at: http://chandra.harvard.edu and http://chandra.nasa.gov

MIMO signal progressing with RLSCMA algorithm for multi-mode multi-core optical transmission system

NASA Astrophysics Data System (ADS)

Bi, Yuan; Liu, Bo; Zhang, Li-jia; Xin, Xiang-jun; Zhang, Qi; Wang, Yong-jun; Tian, Qing-hua; Tian, Feng; Mao, Ya-ya

2018-01-01

In the process of transmitting signals of multi-mode multi-core fiber, there will be mode coupling between modes. The mode dispersion will also occur because each mode has different transmission speed in the link. Mode coupling and mode dispersion will cause damage to the useful signal in the transmission link, so the receiver needs to deal received signal with digital signal processing, and compensate the damage in the link. We first analyzes the influence of mode coupling and mode dispersion in the process of transmitting signals of multi-mode multi-core fiber, then presents the relationship between the coupling coefficient and dispersion coefficient. Then we carry out adaptive signal processing with MIMO equalizers based on recursive least squares constant modulus algorithm (RLSCMA). The MIMO equalization algorithm offers adaptive equalization taps according to the degree of crosstalk in cores or modes, which eliminates the interference among different modes and cores in space division multiplexing(SDM) transmission system. The simulation results show that the distorted signals are restored efficiently with fast convergence speed.

A Deep X-ray Survey of the Globular Cluster Omega Centauri

NASA Astrophysics Data System (ADS)

Henleywillis, Simon; Cool, Adrienne M.; Haggard, Daryl; Heinke, Craig; Callanan, Paul; Zhao, Yue

2018-03-01

We identify 233 X-ray sources, of which 95 are new, in a 222 ks exposure of Omega Centauri with the Chandra X-ray Observatory's ACIS-I detector. The limiting unabsorbed flux in the core is fX(0.5-6.0 keV) ≃ 3×10-16 erg s-1 cm-2 (Lx ≃ 1×1030 erg s-1 at 5.2 kpc). We estimate that ˜60 ± 20 of these are cluster members, of which ˜30 lie within the core (rc = 155 arcsec), and another ˜30 between 1-2 core radii. We identify four new optical counterparts, for a total of 45 likely identifications. Probable cluster members include 18 cataclysmic variables (CVs) and CV candidates, one quiescent low-mass X-ray binary, four variable stars, and five stars that are either associated with ω Cen's anomalous red giant branch, or are sub-subgiants. We estimate that the cluster contains 40 ± 10 CVs with Lx > 1031 erg s-1, confirming that CVs are underabundant in ω Cen relative to the field. Intrinsic absorption is required to fit X-ray spectra of six of the nine brightest CVs, suggesting magnetic CVs, or high-inclination systems. Though no radio millisecond pulsars (MSPs) are currently known in ω Cen, more than 30 unidentified sources have luminosities and X-ray colours like those of MSPs found in other globular clusters; these could be responsible for the Fermi-detected gamma-ray emission from the cluster. Finally, we identify a CH star as the counterpart to the second-brightest X-ray source in the cluster and argue that it is a symbiotic star. This is the first such giant/white dwarf binary to be identified in a globular cluster.

Detection of a pair of prominent X-ray cavities in Abell 3847

NASA Astrophysics Data System (ADS)

Vagshette, Nilkanth D.; Naik, Sachindra; Patil, Madhav. K.; Sonkamble, Satish S.

2017-04-01

We present the results obtained from a detailed analysis of a deep Chandra observation of the bright FRII radio galaxy 3C 444 in Abell 3847 cluster. A pair of huge X-ray cavities are detected along the north and south directions from the centre of 3C 444. X-ray and radio images of the cluster reveal peculiar positioning of the cavities and radio bubbles. The radio lobes and X-ray cavities are apparently not spatially coincident and exhibit offsets by ˜61 and 77 kpc from each other along the north and south directions, respectively. Radial temperature and density profiles reveal the presence of a cool core in the cluster. Imaging and spectral studies showed the removal of substantial amount of matter from the core of the cluster by the radio jets. A detailed analysis of the temperature and density profiles showed the presence of a rarely detected elliptical shock in the cluster. Detection of inflating cavities at an average distance of ˜55 kpc from the centre implies that the central engine feeds a remarkable amount of radio power (˜6.3 × 1044 erg s-1) into the intra-cluster medium over ˜108 yr, the estimated age of cavity. The cooling luminosity of the cluster was estimated to be ˜8.30 × 1043 erg s-1 , which confirms that the AGN power is sufficient to quench the cooling. Ratios of mass accretion rate to Eddington and Bondi rates were estimated to be ˜0.08 and 3.5 × 104, respectively. This indicates that the black hole in the core of the cluster accretes matter through chaotic cold accretion.

Scattering of 42 MeV alpha particles from copper-65

NASA Technical Reports Server (NTRS)

Stewart, W. M.; Seth, K. K.

1973-01-01

Beams of 42-MeV alpha particles were elastically and inelastically scattered from Cu-65 in an attempt to excite states which may be described in terms of an excited core model. Angular distributions were measured for 17 excited states. Seven of the excited states had angular distributions similar to a core quadrupole excitation and eight of the excited states had angular distributions similar to a core octupole excitation. The excited state at 2.858 MeV had an angular distribution which suggests that it may have results from the particle coupling to a two-phonon core state. An extended particle-core coupling calculation was performed and the predicted energy levels and reduced transition probabilities compared to the experimental data. The low lying levels are described quite well and the wavefunctions of these states explain the large spectroscopic factors measured in stripping reactions. For Cu-65 the coupling of the particle to the core is no larger weak as in the simpler model, and configuration mixing results.

Coupled multipolar interactions in small-particle metallic clusters.

PubMed

Pustovit, Vitaly N; Sotelo, Juan A; Niklasson, Gunnar A

2002-03-01

We propose a new formalism for computing the optical properties of small clusters of particles. It is a generalization of the coupled dipole-dipole particle-interaction model and allows one in principle to take into account all multipolar interactions in the long-wavelength limit. The method is illustrated by computations of the optical properties of N = 6 particle clusters for different multipolar approximations. We examine the effect of separation between particles and compare the optical spectra with the discrete-dipole approximation and the generalized Mie theory.

Systematics on the low-lying spectra in N = 78 ~ 80 isotones

NASA Astrophysics Data System (ADS)

Cheng, Y. Y.; Zhang, S. Q.; Li, X. Q.; Hua, H.; Xu, C.; Li, Z. H.; Zhao, P. W.; Meng, J.; Sun, J. J.; Bai, Z. J.; Xu, F. R.; Ye, Y. L.; Jiang, D. X.; Wang, E. H.; He, C.; Han, R.; Wu, X. G.; Li, G. S.; He, C. Y.; Zheng, Y.; Li, C. B.; Hu, S. P.; Yao, S. H.; Yu, B. B.; Cao, X. P.; Wang, J. L.

2014-07-01

Combining the new spectroscopy results of 144Tb and previous spectroscopy studies of neighboring nuclei, a systematic investigation on the low-lying spectra in N = 78 80 isotones is performed. Good systematics have been found for the coupling patterns which couple the odd nucleon(s), such as πh11/2, ν h-111/2, π h11/22, ν h-211/2, π h11/2ν h-111/2, to the 2+, 4+, 6+ and 3- core excitations. It is found that the relative excitation energies of the states formed by coupling h11/2 proton(s) to the 2+, 4+ core excitations are pushed up, in contrast with those formed by coupling h11/2 neutron hole(s) to the 2+, 4+ core excitations, which are pulled down. According to the systematics, the interpretation that the 17/2+ states observed in 141Sm and 143Gd are the fully aligned member of coupling the odd h11/2 neutron hole to the octupole 3- core excitation, is explored to the isotones 145Dy, 142Eu, and 144Tb.

[Impact of TDZ and NAA on adventitious bud induction and cluster bud multiplication in Tulipa edulis].

PubMed

Zhu, Li-Fang; Xu, Chao; Zhu, Zai-Biao; Yang, He-Tong; Guo, Qiao-Sheng; Xu, Hong-jian; Ma, Hong-Jian; Zhao, Gui-Hua

2014-08-01

To explore the method of explants directly induced bud and establish the tissue culture system of mutiple shoot by means of direct organogenesis, core bud and daughter bulbs (the top of bud stem expanded to form daughter bulb) of T. edulis were used as explants and treated with thidiazuron (TDZ) and 1-naphthlcetic acid (NAA). The results showed that the optimal medium for bud inducted form core bud and daughter bulb were MS + TDZ 2.0 mg x L(-1) + NAA 4.0 mg x L(-1) and MS +TDZ 2.0 mg x L(-1) + NAA 2.0 mg x L(-1) respectively, both of them had a bud induction rate of 72.92%, 79.22%. The optimal medium for cluster buds multiplication was MS + TDZ 0.2 mg x L(-1) + NAA 0.2 mg x L(-1), and proliferation coefficient was 2.23. After proliferation, cluster buds rooting occurred on MS medium with IBA 1.0 mg x L(-1) and the rooting rate was 52.6%, three to five seedlings in each plant. Using core bud and daughter bulb of T. edulis, the optimum medium for adventitious bud directly inducted from daughter bulb, core bud and cluster bud multiplication were screened out and the tissue culture system of multiple shoot by means of direct organogenesis was established.

A Global Model for Circumgalactic and Cluster-core Precipitation

NASA Astrophysics Data System (ADS)

Voit, G. Mark; Meece, Greg; Li, Yuan; O'Shea, Brian W.; Bryan, Greg L.; Donahue, Megan

2017-08-01

We provide an analytic framework for interpreting observations of multiphase circumgalactic gas that is heavily informed by recent numerical simulations of thermal instability and precipitation in cool-core galaxy clusters. We start by considering the local conditions required for the formation of multiphase gas via two different modes: (1) uplift of ambient gas by galactic outflows, and (2) condensation in a stratified stationary medium in which thermal balance is explicitly maintained. Analytic exploration of these two modes provides insights into the relationships between the local ratio of the cooling and freefall timescales (I.e., {t}{cool}/{t}{ff}), the large-scale gradient of specific entropy, and the development of precipitation and multiphase media in circumgalactic gas. We then use these analytic findings to interpret recent simulations of circumgalactic gas in which global thermal balance is maintained. We show that long-lasting configurations of gas with 5≲ \\min ({t}{cool}/{t}{ff})≲ 20 and radial entropy profiles similar to observations of cool cores in galaxy clusters are a natural outcome of precipitation-regulated feedback. We conclude with some observational predictions that follow from these models. This work focuses primarily on precipitation and AGN feedback in galaxy-cluster cores, because that is where the observations of multiphase gas around galaxies are most complete. However, many of the physical principles that govern condensation in those environments apply to circumgalactic gas around galaxies of all masses.

Magnetic braking of stellar cores in red giants and supergiants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maeder, André; Meynet, Georges, E-mail: andre.maeder@unige, E-mail: georges.meynet@unige.ch

2014-10-01

Magnetic configurations, stable on the long term, appear to exist in various evolutionary phases, from main-sequence stars to white dwarfs and neutron stars. The large-scale ordered nature of these fields, often approximately dipolar, and their scaling according to the flux conservation scenario favor a fossil field model. We make some first estimates of the magnetic coupling between the stellar cores and the outer layers in red giants and supergiants. Analytical expressions of the truncation radius of the field coupling are established for a convective envelope and for a rotating radiative zone with horizontal turbulence. The timescales of the internal exchangesmore » of angular momentum are considered. Numerical estimates are made on the basis of recent model grids. The direct magnetic coupling of the core to the extended convective envelope of red giants and supergiants appears unlikely. However, we find that the intermediate radiative zone is fully coupled to the core during the He-burning and later phases. This coupling is able to produce a strong spin down of the core of red giants and supergiants, also leading to relatively slowly rotating stellar remnants such as white dwarfs and pulsars. Some angular momentum is also transferred to the outer convective envelope of red giants and supergiants during the He-burning phase and later.« less

Semiempirical limits on the thermal conductivity of intracluster gas

NASA Technical Reports Server (NTRS)

David, Laurence P.; Hughes, John P.; Tucker, Wallace H.

1992-01-01

A semiempirical method for establishing lower limits on the thermal conductivity of hot gas in clusters of galaxies is described. The method is based on the observation that the X-ray imaging data (e.g., Einstein IPC) for clusters are well described by the hydrostatic-isothermal beta model, even for cooling flow clusters beyond about one core radius. In addition, there are strong indications that noncooling flow clusters (like the Coma Cluster) have a large central region (up to several core radii) of nearly constant gas temperature. This suggests that thermal conduction is an effective means of transporting and redistributing the thermal energy of the gas. This in turn has implications for the extent to which magnetic fields in the cluster are effective in reducing the thermal conductivity of the gas. Time-dependent hydrodynamic simulations for the gas in the Coma Cluster under two separate evolutionary scenarios are presented. One scenario assumes that the cluster potential is static and that the gas has an initial adiabatic distribution. The second scenario uses an evolving cluster potential. These models along with analytic results show that the thermal conductivity of the gas in the Coma Cluster cannot be less than 0.1 of full Spitzer conductivity. These models also show that high gas conductivity assists rather than hinders the development of radiative cooling in the central regions of clusters.

ULTRA-COMPACT DWARFS IN THE COMA CLUSTER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiboucas, Kristin; Tully, R. Brent; Marzke, R. O.

2011-08-20

We have undertaken a spectroscopic search for ultra-compact dwarf galaxies (UCDs) in the dense core of the dynamically evolved, massive Coma cluster as part of the Hubble Space Telescope/Advanced Camera for Surveys (HST/ACS) Coma Cluster Treasury Survey. UCD candidates were initially chosen based on color, magnitude, degree of resolution within the ACS images, and the known properties of Fornax and Virgo UCDs. Follow-up spectroscopy with Keck/Low-Resolution Imaging Spectrometer confirmed 27 candidates as members of the Coma cluster, a success rate >60% for targeted objects brighter than M{sub R} = -12. Another 14 candidates may also prove to be Coma members,more » but low signal-to-noise spectra prevent definitive conclusions. An investigation of the properties and distribution of the Coma UCDs finds these objects to be very similar to UCDs discovered in other environments. The Coma UCDs tend to be clustered around giant galaxies in the cluster core and have colors/metallicity that correlate with the host galaxy. With properties and a distribution similar to that of the Coma cluster globular cluster population, we find strong support for a star cluster origin for the majority of the Coma UCDs. However, a few UCDs appear to have stellar population or structural properties which differentiate them from the old star cluster populations found in the Coma cluster, perhaps indicating that UCDs may form through multiple formation channels.« less

Symmetry, Hopf bifurcation, and the emergence of cluster solutions in time delayed neural networks.

PubMed

Wang, Zhen; Campbell, Sue Ann

2017-11-01

We consider the networks of N identical oscillators with time delayed, global circulant coupling, modeled by a system of delay differential equations with Z N symmetry. We first study the existence of Hopf bifurcations induced by the coupling time delay and then use symmetric Hopf bifurcation theory to determine how these bifurcations lead to different patterns of symmetric cluster oscillations. We apply our results to a case study: a network of FitzHugh-Nagumo neurons with diffusive coupling. For this model, we derive the asymptotic stability, global asymptotic stability, absolute instability, and stability switches of the equilibrium point in the plane of coupling time delay (τ) and excitability parameter (a). We investigate the patterns of cluster oscillations induced by the time delay and determine the direction and stability of the bifurcating periodic orbits by employing the multiple timescales method and normal form theory. We find that in the region where stability switching occurs, the dynamics of the system can be switched from the equilibrium point to any symmetric cluster oscillation, and back to equilibrium point as the time delay is increased.

Chimeras and clusters in networks of hyperbolic chaotic oscillators

NASA Astrophysics Data System (ADS)

Cano, A. V.; Cosenza, M. G.

2017-03-01

We show that chimera states, where differentiated subsets of synchronized and desynchronized dynamical elements coexist, can emerge in networks of hyperbolic chaotic oscillators subject to global interactions. As local dynamics we employ Lozi maps, which possess hyperbolic chaotic attractors. We consider a globally coupled system of these maps and use two statistical quantities to describe its collective behavior: the average fraction of elements belonging to clusters and the average standard deviation of state variables. Chimera states, clusters, complete synchronization, and incoherence are thus characterized on the space of parameters of the system. We find that chimera states are related to the formation of clusters in the system. In addition, we show that chimera states arise for a sufficiently long range of interactions in nonlocally coupled networks of these maps. Our results reveal that, under some circumstances, hyperbolicity does not impede the formation of chimera states in networks of coupled chaotic systems, as it had been previously hypothesized.

Experimental observation of chimera and cluster states in a minimal globally coupled network

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hart, Joseph D.; Department of Physics, University of Maryland, College Park, Maryland 20742; Bansal, Kanika

A “chimera state” is a dynamical pattern that occurs in a network of coupled identical oscillators when the symmetry of the oscillator population is broken into synchronous and asynchronous parts. We report the experimental observation of chimera and cluster states in a network of four globally coupled chaotic opto-electronic oscillators. This is the minimal network that can support chimera states, and our study provides new insight into the fundamental mechanisms underlying their formation. We use a unified approach to determine the stability of all the observed partially synchronous patterns, highlighting the close relationship between chimera and cluster states as belongingmore » to the broader phenomenon of partial synchronization. Our approach is general in terms of network size and connectivity. We also find that chimera states often appear in regions of multistability between global, cluster, and desynchronized states.« less

INTER- AND INTRA-CLUSTER AGE GRADIENTS IN MASSIVE STAR FORMING REGIONS AND INDIVIDUAL NEARBY STELLAR CLUSTERS REVEALED BY MYStIX

NASA Astrophysics Data System (ADS)

Getman, Konstantin V.; Feigelson, Eric; Kuhn, Michael A.; Broos, Patrick S; Townsley, Leisa K.; Naylor, Tim; Povich, Matthew S.; Luhman, Kevin; Garmire, Gordon

2014-08-01

The MYStIX (Massive Young Star-Forming Complex Study in Infrared and X-ray) project seeks to characterize 20 OB-dominated young star forming regions (SFRs) at distances <4 kpc using photometric catalogs from the Chandra X-ray Observatory, Spitzer Space Telescope, UKIRT and 2MASS surveys. As part of the MYStIX project, we developed a new stellar chronometer that employs near-infrared and X-ray photometry data, AgeJX. Computing AgeJX averaged over MYStIX (sub)clusters reveals previously unknown age gradients across most of the MYStIX regions as well as within some individual rich clusters. Within the SFRs, the inferred AgeJX ages are youngest in obscured locations in molecular clouds, intermediate in revealed stellar clusters, and oldest in distributed stellar populations. Noticeable intra-cluster gradients are seen in the NGC 2024 (Flame Nebula) star cluster and the Orion Nebula Cluster (ONC): stars in cluster cores appear younger and thus were formed later than stars in cluster halos. The latter result has two important implications for the formation of young stellar clusters. Clusters likely form slowly: they do not arise from a single nearly-instantaneous burst of star formation. The simple models where clusters form inside-out are likely incorrect, and more complex models are needed. We provide several star formation scenarios that alone or in combination may lead to the observed core-halo age gradients.

Isovector and isoscalar dipole excitations in 9Be and 10Be studied with antisymmetrized molecular dynamics

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2016-02-01

Isovector and isoscalar dipole excitations in 9Be and 10Be are investigated in the framework of antisymmetrized molecular dynamics, in which angular-momentum and parity projections are performed. In the present method, 1p-1h excitation modes built on the ground state and a large amplitude α -cluster mode are taken into account. The isovector giant dipole resonance (GDR) in E >20 MeV shows the two-peak structure, which is understood from the dipole excitation in the 2 α core part with the prolate deformation. Because of valence neutron modes against the 2 α core, low-energy E 1 resonances appear in E <20 MeV, exhausting about 20 % of the Thomas-Reiche-Kuhn sum rule and 10 % of the calculated energy-weighted sum. The dipole resonance at E ˜15 MeV in 10Be can be interpreted as the parity partner of the ground state having a 6He+α structure and has remarkable E 1 strength because of the coherent contribution of two valence neutrons. The isoscalar dipole strength for some low-energy resonances is significantly enhanced by the coupling with the α -cluster mode. For the E 1 strength of 9Be, the calculation overestimates the energy-weighted sum (EWS) in the low-energy (E <20 MeV) and GDR (20

Highly anisotropic exchange interactions in a trigonal bipyramidal cyanide-bridged Ni(II)3Os(III)2 cluster.

PubMed

Palii, Andrei V; Reu, Oleg S; Ostrovsky, Sergei M; Klokishner, Sophia I; Tsukerblat, Boris S; Hilfiger, Matthew; Shatruk, Michael; Prosvirin, Andrey; Dunbar, Kim R

2009-06-25

This article is a part of our efforts to control the magnetic anisotropy in cyanide-based exchange-coupled systems with the eventual goal to obtain single-molecule magnets with higher blocking temperatures. We give the theoretical interpretation of the magnetic properties of the new pentanuclear complex {[Ni(II)(tmphen)(2)](3)[Os(III)(CN)(6)](2)} x 6 CH(3)CN (Ni(II)(3)Os(III)(2) cluster). Because the system contains the heavy Os(III) ions, spin-orbit coupling considerably exceeds the contributions from the low-symmetry crystal field and exchange coupling. The magnetic properties of the Ni(II)(3)Os(III)(2) cluster are described in the framework of a highly anisotropic pseudo-spin Hamiltonian that corresponds to the limit of strong spin-orbital coupling and takes into account the complex molecular structure. The model provides a good fit to the experimental data and allows the conclusion that the trigonal axis of the bipyramidal Ni(II)(3)Os(III)(2) cluster is a hard axis of magnetization. This explains the fact that in contrast with the isostructural trigonal bipyramidal Mn(III)(2)Mn(II)(3) cluster, the Ni(II)(3)Os(III)(2) system does not exhibit the single-molecule magnetic behavior.

Derivatized gold clusters and antibody-gold cluster conjugates

DOEpatents

Hainfeld, James F.; Furuya, Frederic R.

1994-11-01

Antibody- or antibody fragment-gold cluster conjugates are shown wherein the conjugate size can be as small as 5.0 nm. Methods and reagents are disclosed in which antibodies, Fab' or F(ab').sub.2 fragments thereof are covalently bound to a stable cluster of gold atoms. The gold clusters may contain 6, 8, 9, 11, 13, 55 or 67 gold atoms in their inner core. The clusters may also contain radioactive gold. The antibody-cluster conjugates are useful in electron microscopy applications as well as in clinical applications that include imaging, diagnosis and therapy.

Rare-Earth-Free Permanent Magnets for Electrical Vehicle Motors and Wind Turbine Generators: Hexagonal Symmetry Based Materials Systems Mn-Bi and M-type Hexaferrite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Yang-Ki; Haskew, Timothy; Myryasov, Oleg

2014-06-05

The research we conducted focuses on the rare-earth (RE)-free permanent magnet by modeling, simulating, and synthesizing exchange coupled two-phase (hard/soft) RE-free core-shell nano-structured magnet. The RE-free magnets are made of magnetically hard core materials (high anisotropy materials including Mn-Bi-X and M-type hexaferrite) coated by soft shell materials (high magnetization materials including Fe-Co or Co). Therefore, our research helps understand the exchange coupling conditions of the core/shell magnets, interface exchange behavior between core and shell materials, formation mechanism of core/shell structures, stability conditions of core and shell materials, etc.

Dwarf Galaxies in the Coma Cluster. II. Photometry and Analysis

NASA Astrophysics Data System (ADS)

Secker, J.; Harris, W. E.; Plummer, J. D.

1997-12-01

We use the data set derived in our previous paper (Secker & Harris 1997) to study the dwarf galaxy population in the central =~ 700 arcmin(2) of the Coma cluster, the majority of which are early-type dwarf elliptical (dE) galaxies. Analysis of the statistically-decontaminated dE galaxy sequence in the color-magnitude diagram reveals that the mean dE color at R = 18.0 mag is (B-R) =~ 1.4 mag, but that a highly significant trend of color with magnitude exists (Delta (B-R)/Delta R = -0.056+/-0.002 mag) in the sense that fainter dEs are bluer and thus presumably more metal-poor. The mean color of the faintest dEs in our sample is (B-R) =~ 1.15 mag, consistent with a color measurement of the diffuse intracluster light in the Coma core. This intracluster light could then have originated from the tidal disruption of faint dEs in the cluster core. The total galaxy luminosity function (LF) is well modeled as the sum of a log-normal distribution for the giant galaxies, and a Schechter function for the dE galaxies with a faint-end slope alpha = -1.41+/-0.05. This value of alpha is consistent with those measured for the Virgo and Fornax clusters. The spatial distribution of the faint dE galaxies (19.0 < R <= 22.5 mag) is well fit by a standard King model with a central surface density of Sigma_0 = 1.17 dEs arcmin(-2) and a core radius R_c = 22.15 arcmin ( =~ 0.46h(-1) Mpc). This core is significantly larger than the R_c = 13.71 arcmin ( =~ 0.29h(-1) Mpc) found for the cluster giants and the brighter dEs (R <= 19.0 mag), again consistent with the idea that faint dEs in the dense core have been disrupted. Finally, we find that most dEs belong to the general Coma cluster potential rather than as satellites of individual giant galaxies: An analysis of the number counts around 10 cluster giants reveals that they each have on average 4+/- 1 dE companions within a projected radius of 13.9h(-1) kpc. (SECTION: Galaxies)

A Bistable Microelectronic Circuit for Sensing Extremely Low Electric Field

DTIC Science & Technology

2010-01-01

potential system describing the ferromagnetic ma- terials employed in the fluxgate magnetometers .1 To give a clearer picture of the separations between...this behavior in a specific prototype system comprised of three unidirectionally coupled ferromagnetic cores, the basis of a coupled core fluxgate ... magnetometer . Another prototypical quartic poten- tial based system of coupled overdamped Duffing elements has been applied to describe the dynamics

Disintegration of the Aged Open Cluster Berkeley 17

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhattacharya, Souradeep; Vaidya, Kaushar; Mishra, Ishan

We present the analysis of the morphological shape of Berkeley 17, the oldest known open cluster (∼10 Gyr), using the probabilistic star counting of Pan-STARRS point sources, and confirm its core-tail shape, plus an antitail, previously detected with the 2MASS data. The stellar population, as diagnosed by the color–magnitude diagram and theoretical isochrones, shows many massive members in the clusters core, whereas there is a paucity of such members in both of the tails. This manifests mass segregation in this aged star cluster with the low-mass members being stripped away from the system. It has been claimed that Berkeley 17more » is associated with an excessive number of blue straggler candidates. A comparison of nearby reference fields indicates that about half of these may be field contamination.« less

Study of crystallization mechanisms of Fe nanoparticle

NASA Astrophysics Data System (ADS)

Kien, P. H.; Trang, G. T. T.; Hung, P. K.

2017-06-01

In this paper, the nanoparticle (NP) Fe was investigated by means of molecular dynamics simulation. The crystallization mechanism was studied through the time evolution of crystal cluster and potential energies of different atom types. The simulation shows that the NP was crystallized into bcc crystal structure when it was annealed at 900 K for long times. At early stage of the annealing, small nuclei form in different places of NP and dissolve for short times. After long times some nuclei form and gather nearby which create the stable clusters in the core of NP. After that the crystal clusters grow in the direction to cover the core and then to spread into the surface of NP. Analyzing the energies of different type atoms, we found that the crystal growth is originated from specific atomic arrangement in the boundary region of crystal clusters.

Photodissociation of nitromethane cluster anions.

PubMed

Goebbert, Daniel J; Khuseynov, Dmitry; Sanov, Andrei

2010-08-28

Three types of anionic fragments are observed in the photodissociation of nitromethane cluster anions, (CH(3)NO(2))(n)(-), n=1-6, at 355 nm: NO(2)(-)(CH(3)NO(2))(k), (CH(3)NO(2))(k)(-), and OH(-) (k

Strong-lensing analysis of A2744 with MUSE and Hubble Frontier Fields images

NASA Astrophysics Data System (ADS)

Mahler, G.; Richard, J.; Clément, B.; Lagattuta, D.; Schmidt, K.; Patrício, V.; Soucail, G.; Bacon, R.; Pello, R.; Bouwens, R.; Maseda, M.; Martinez, J.; Carollo, M.; Inami, H.; Leclercq, F.; Wisotzki, L.

2018-01-01

We present an analysis of Multi Unit Spectroscopic Explorer (MUSE) observations obtained on the massive Frontier Fields (FFs) cluster A2744. This new data set covers the entire multiply imaged region around the cluster core. The combined catalogue consists of 514 spectroscopic redshifts (with 414 new identifications). We use this redshift information to perform a strong-lensing analysis revising multiple images previously found in the deep FF images, and add three new MUSE-detected multiply imaged systems with no obvious Hubble Space Telescope counterpart. The combined strong-lensing constraints include a total of 60 systems producing 188 images altogether, out of which 29 systems and 83 images are spectroscopically confirmed, making A2744 one of the most well-constrained clusters to date. Thanks to the large amount of spectroscopic redshifts, we model the influence of substructures at larger radii, using a parametrization including two cluster-scale components in the cluster core and several group scale in the outskirts. The resulting model accurately reproduces all the spectroscopic multiple systems, reaching an rms of 0.67 arcsec in the image plane. The large number of MUSE spectroscopic redshifts gives us a robust model, which we estimate reduces the systematic uncertainty on the 2D mass distribution by up to ∼2.5 times the statistical uncertainty in the cluster core. In addition, from a combination of the parametrization and the set of constraints, we estimate the relative systematic uncertainty to be up to 9 per cent at 200 kpc.

An Optical and X-Ray Study of Abell 576, a Galaxy Cluster with a Cold Core

NASA Astrophysics Data System (ADS)

Mohr, Joseph J.; Geller, Margaret J.; Fabricant, Daniel G.; Wegner, Gary; Thorstensen, John; Richstone, Douglas O.

1996-10-01

We analyze the galaxy population and dynamics of the galaxy cluster A576; the observational constraints include 281 redshifts (230 new), R- band CCD galaxy photometry over a 2 h^-1^ Mpc x 2 h^-1^ Mpc region centered on the cluster, an Einstein IPC X-ray image, and an Einstein MPC X-ray spectrum. We focus on an 86% complete magnitude-limited sample (R_23.5_ < 17) of 169 cluster galaxies. The cluster galaxies with emission lines in their spectra have a larger velocity dispersion and are significantly less clustered on this 2 h^-1^ Mpc scale than galaxies without emission lines. We show that excluding the emission-line galaxies from the cluster sample decreases the velocity dispersion by 18% and the virial mass estimate by a factor of 2. The central cluster region contains a nonemission galaxy population and an intracluster medium which is significantly cooler (σ_core_ = 387_-105_^+250^ km s^-1^ and T_x_ = 1.6_-0.3_^+0.4^ keV at 90% confidence) than the global populations (σ = 977_-96_^+124^ km s^- 1^ for the nonemission population and T_X_ > 4 keV at 90% confidence). Because (1) the low-dispersion galaxy population is no more luminous than the global population and (2) the evidence for a cooling flow is weak, we suggest that the core of A576 may contain the remnants of a lower mass subcluster. We examine the cluster mass, baryon fraction, and luminosity function. The cluster virial mass varies significantly depending on the galaxy sample used. Consistency between the hydrostatic and virial estimators can be achieved if (1) the gas temperature at r~1 h^-1^ Mpc is T_X_ ~ 8 keV (the best-fit value) and (2) several velocity outliers are excluded from the virial calculation. Although the best-fit Schechter function parameters and the ratio of galaxy to gas mass in A576 are typical of other clusters, the baryon fraction is relatively low. Using the consistent cluster binding mass, we show that the gas mass fraction is ~3 h^-3/2^% and the baryon fraction is ~4%.

Tracking the Magnetization Evolution in γ-Fe2O3 / Metallic Fe Core-Shell Nanoparticle Variants

NASA Astrophysics Data System (ADS)

Kons, C.; Nemati, Z.; Srikanth, H.; Phan, M.-H.; Krycka, K.; Borchers, J.; Keavney, D.; Arena, D. A.

Iron-core magnetic nanoparticles (MNPs) with oxide shells exhibit varying magnetic properties due to the different ordering temperatures of the core and shell spins, as well as the coupling across the metal/oxide interface. While spin coupling across two dimensional interfaces has been well explored, less is known about three dimensional interfaces such as those presented in the MNPs. In this work, MNPs were synthesized with a bcc Fe core and γ-Fe2O3 shell and placed in an oxygen rich environment to encourage the transition from cores shell (CS) to core void shell (CVS) to hollow (H) structures. Static magnetic measurements (MvT) and AC magnetometry were performed to explore the magnetic behavior of the various synthesized structures. To further understand the nature of the spin coupling in the MNPs, TEM and conventional magnetometry as well as variable-temperature small angle neutron scattering (SANS), x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) spectroscopy were performed. Modeling of the x-ray spectra and SANS data will enable us to develop a cohesive picture of spin coupling, freezing and frustration along the three-dimensional metal / oxide interface. Supported by Department of Energy award #DE-FG02-07ER46438; NSF Award #DMR-1508249.

Exchange coupling transformations in Cu (II) heterospin complexes of “breathing crystals” under structural phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N., E-mail: luk@tomo.nsc.ru

2015-08-15

Family of “breathing crystals” is the polymer-chain complexes of Cu(hfac){sub 2} with nitroxides. The polymer chains consist of one-, two- or three-spin clusters. The “breathing crystals” experience simultaneous magnetic and Jahn-Teller type structural phase transitions with change of total cluster spin and drastic change of bond lengths (ca. 10-12%). For the first time the intra-cluster magnetic couplings in ”breathing crystals” have been calculated both by band structure methods GGA + U and hybrid DFT (B3LYP and PBE0) for the isolated exchange clusters. The temperature dependence of the magnetic coupling constant was calculated for two polymer-chain compounds of the “breathing crystal”more » family - C{sub 21}H{sub 19}CuF{sub 12}N{sub 4}O{sub 6} with the chains containing two-spin clusters and C{sub 22}H{sub 21}CuF{sub 12}N{sub 4}O{sub 6} with the chains of alternating three-spin clusters and one-spin sites. It was found that adding a Hubbard-like parameter not only to the copper 3d electrons but also to the oxygen 2p electrons (GGA + U{sub d} + U{sub p} approach) results in an improved description of exchange coupling in the “breathing crystal” compounds. At the same time treatment of the isolated clusters by a large basis hybrid DFT with high computational cost provides a similar quality fit of the experimental magneto-chemical data as that for the GGA + U{sub d} + U{sub p} band structure calculation scheme. Our calculations also showed that in spite of the abrupt transformation of the magnetic coupling constant under the phase transition, the band gap in the “breathing crystals” remains about the same value with temperature decrease.« less

Ultraviolet properties of individual hot stars in globular cluster cores. 1: NGC 1904 (M 79)

NASA Technical Reports Server (NTRS)

Altner, Bruce; Matilsky, Terry A.

1992-01-01

As part of an observing program using the International Ultraviolet Explorer (IUE) satellite to investigate the ultraviolet properties of stars found within the cores of galactic globular clusters with blue horizontal branches (HBs), we obtained three spectra of the cluster NGC 1904 (M 79). All three were long integration-time, short-wavelength (SWP) spectra obtained at the so called 'center of light' and all three showed evidence of sources within the IUE large aperture (21.4 in. by 10 in.). In this paper we shall describe the analysis of these spectra and present evidence that the UV sources represent individual hot stars in the post-HB stage of evolution.

ACCEPT 2: A public library of cluster properties

NASA Astrophysics Data System (ADS)

Donahue, Megan

2012-09-01

The current public ACCEPT database of cluster properties includes radial profiles of Tx, n_elec, entropy, and cooling time. We propose to more than double the current number of clusters in ACCEPT and to expand the current suite of properties to include uniformly measured profiles of gas mass and hydrostatic equilibrium mass along with signatures of dynamical relaxation (centroid shift, power ratios, surface brightness concentration, temperature ratios) and global quantities such as core-excised Tx, Lx, and metallicities. We will explore the relationship between cool cores and dynamical relaxation, the reliability of hydrostatic mass profiles, and the dependence of the gas mass fraction on halo mass, redshift, and the degree of relaxation. ACCEPT2 will enable further community science.

A heptadecanuclear Mn(III)9Dy(III)8 cluster derived from triethanolamine with two edge sharing supertetrahedra as the core and displaying SMM behaviour.

PubMed

Langley, Stuart K; Moubarakia, Boujemaa; Murray, Keith S

2010-06-07

A heterometallic, heptadecanuclear cluster of formula [Mn(III)9Dy(III)8O8(OH)8(tea)2(teaH)2(teaH2)4(Ac)4(NO3)2(H2O)4](NO3)7·8H2O (1) is reported. The core of 1 displays two edge sharing Mn(III)5Dy(III)5 supertetrahedra and represents one of the largest Mn/4f cluster compound so far reported. Magnetic studies show that 1 displays probable SMM behaviour as observed via non-zero values in the χM''vs T plot.

Ferromagnetic spin coupling in the chromium dimer cation: Measurements by photodissociation spectroscopy combined with coupled-cluster calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Egashira, Kazuhiro, E-mail: egashira@clusterlab.jp; Yamada, Yurika; Kita, Yukiumi

2015-02-07

The magnetic coupling of the chromium dimer cation, Cr{sub 2}{sup +}, has been an outstanding problem for decades. An optical absorption spectrum of Cr{sub 2}{sup +} has been obtained by photodissociation spectroscopy in the photon-energy range from 2.0 to 5.0 eV. Besides, calculations have been performed by the equation-of-motion coupled-cluster singles and doubles method for vertical excitation of the species. Their coincidence supports our assignment that the ground electronic state exhibits a ferromagnetic spin coupling, which is contrary to those of neutral and negatively charged dimers, Cr{sub 2} and Cr{sub 2}{sup −}, in their lowest spin states.

Coupled-mode propagation in multicore fibers characterized by optical low-coherence reflectometry.

PubMed

Salathé, R P; Gilgen, H; Bodmer, G

1996-07-01

A fiber-optical low-coherence ref lectometer has been used to probe a multicore fiber locally at a wavelength of 1.3 microm. This technique allows one to determine the group index of refraction of the modes in the multicore fiber with high accuracy. Light propagation that is due to noncoherent coupling of energy from one fiber core to adjacent cores through cladding modes can be distinguished quantitatively from light propagating in coherently coupled modes. Intercore coupling constants in the range of 0.6-2 mm(-1) have been evaluated for the coupled modes.

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

NASA Technical Reports Server (NTRS)

Kahn, L. R.

1982-01-01

Metal atom clusters are studied based on the application of ab initio quantum mechanical approaches. Because these large 'molecular' systems pose special practical computational problems in the application of the quantum mechanical methods, there is a special need to find simplifying techniques that do not compromise the reliability of the calculations. Research is therefore directed towards various aspects of the implementation of the effective core potential technique for the removal of the metal atom core electrons from the calculations.

Unprecedented reduction of the uranyl ion [UO2]2+ into a polyoxo uranium(IV) cluster: synthesis and crystal structure of the first f-element oxide with a M6(micro3-O)8 core.

PubMed

Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel

2005-07-21

The smooth comproportionation reaction of the U(VI) and U(III) complexes UO2(OTf)2 and U(OTf)3, afforded the hexanuclear U(IV) oxide cluster [U6(micro3-O)8(micro2-OTf)8(py)8], a rare example of a metal oxide with a M6(micro3-O)8 core.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sills, Alison; Glebbeek, Evert; Chatterjee, Sourav

We created artificial color-magnitude diagrams of Monte Carlo dynamical models of globular clusters and then used observational methods to determine the number of blue stragglers in those clusters. We compared these blue stragglers to various cluster properties, mimicking work that has been done for blue stragglers in Milky Way globular clusters to determine the dominant formation mechanism(s) of this unusual stellar population. We find that a mass-based prescription for selecting blue stragglers will select approximately twice as many blue stragglers than a selection criterion that was developed for observations of real clusters. However, the two numbers of blue stragglers aremore » well-correlated, so either selection criterion can be used to characterize the blue straggler population of a cluster. We confirm previous results that the simplified prescription for the evolution of a collision or merger product in the BSE code overestimates their lifetimes. We show that our model blue stragglers follow similar trends with cluster properties (core mass, binary fraction, total mass, collision rate) as the true Milky Way blue stragglers as long as we restrict ourselves to model clusters with an initial binary fraction higher than 5%. We also show that, in contrast to earlier work, the number of blue stragglers in the cluster core does have a weak dependence on the collisional parameter Γ in both our models and in Milky Way globular clusters.« less

Primordial binary populations in low-density star clusters as seen by Chandra: globular clusters versus old open clusters

NASA Astrophysics Data System (ADS)

van den Berg, Maureen C.

2015-08-01

The binaries in the core of a star cluster are the energy source that prevents the cluster from experiencing core collapse. To model the dynamical evolution of a cluster, it is important to have constraints on the primordial binary content. X-ray observations of old star clusters are very efficient in detecting the close interacting binaries among the cluster members. The X-ray sources in star clusters are a mix of binaries that were dynamically formed and primordial binaries. In massive, dense star clusters, dynamical encounters play an important role in shaping the properties and numbers of the binaries. In contrast, in the low-density clusters the impact of dynamical encounters is presumed to be very small, and the close binaries detected in X-rays represent a primordial population. The lowest density globular clusters have current masses and central densities similar to those of the oldest open clusters in our Milky Way. I will discuss the results of studies with the Chandra X-ray Observatory that have nevertheless revealed a clear dichotomy: far fewer (if any at all) X-ray sources are detected in the central regions of the low-density globular clusters compared to the number of secure cluster members that have been detected in old open clusters (above a limiting X-ray luminosity of typically 4e30 erg/s). The low stellar encounter rates imply that dynamical destruction of binaries can be ignored at present, therefore an explanation must be sought elsewhere. I will discuss several factors that can shed light on the implied differences between the primordial close binary populations in the two types of star clusters.

An X-ray study of the Centaurus Cluster of galaxies using Einstein

NASA Technical Reports Server (NTRS)

Matilsky, T.; Jones, C.; Forman, W.

1985-01-01

Einstein Imaging Proportional Counter observations of the core of the Centaurus Cluster of galaxies have been analyzed to map the 0.5-3.5 keV surface brightness and temperature of the intracluster gas. The emission is centered on NGC 4696, the elliptical galaxy believed to be at or near the dynamical center of the cluster. Because the X-ray-emitting gas responds to the gravitational potential of the cluster, the observations may be used to measure the total mass distribution around the central region. It is shown that the gas is very likely in hydrostatic equilibrium. It is found that surrounding NGC 4696, like M87 at the center of the Virgo Cluster, is a dark, massive halo, with a gravitating mass of about 2 x 10 to the 13th M out to a radius of about 20 arcmin (or 200 kpc for H(o) = 50 km/s Mpc). The elliptical galaxy NGC 4709, at the core of a more distant cluster, is also detected with a luminosity of 2 x 10 to the 40th ergs per sec.

Studies on low-loss coupling of non-node anti-resonant hollow-core fiber and tapered fiber

NASA Astrophysics Data System (ADS)

Zhang, Naiqian; Wang, Zefeng; Liu, Wenbo; Xi, Xiaoming

2017-10-01

Up to now, near almost optical fiber gas lasers employ/adopt the scheme of free-space coupling, which increases the difficulty to adjust the optical path, and has poor stability. All-fiber structure fiber-gas lasers are important development directions in the future. We established the numerical model of SMF-28 type tapered single-mode fiber and non-node hollow-core fiber. When the SMF-28 type single-mode fiber has a waist diameter of 40μm when the light source is LP01 fundamental mode with 1550nm wavelength, the mode field diameter is the largest. Meanwhile, we simulated that the equivalent mode field diameter of non-node anti-resonant hollow-core fiber is about 75μm at the same 1550nm wavelength light source. Then, we use different waist diameters of SMF-28 type tapered fibers injected to the non-node anti-resonant hollow-core fiber in simulation and experiments. In the scheme of the single-ended low-loss coupling, the simulation results indicate that the best waist diameter of tapered fiber is 40μm, and the calculated maximum coupling efficiency is 83.55%. Meanwhile, the experimental result of maximum coupling efficiency is 80.74% when the best waist diameter of tapered fiber is also 40μm. As for the double-ended low-loss coupling, the calculated maximum coupling efficiency is near 83.38%.

Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

Multifrequency multi-qubit entanglement based on plasmonic hot spots

PubMed Central

Ren, Jun; Wu, Tong; Zhang, Xiangdong

2015-01-01

The theoretical method to study strong coupling between an ensemble of quantum emitters (QEs) and surface plasmons excited by the nanoparticle cluster has been presented by using a rigorous first-principles electromagnetic Green’s tensor technique. We have demonstrated that multi-qubit entanglements for two-level QEs can be produced at different coupling resonance frequencies, when they locate in the hot spots of the metallic nanoparticle cluster. The duration of quantum beats for such an entanglement can reach two orders longer than that for the entanglement in a photonic cavity. The phenomenon originates from collective coupling resonance excitation of the cluster. At the frequency of single scattering resonance, the entanglement cannot be produced although the single QE spontaneous decay rate is very big. PMID:26350051

INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Efficient One-Step Generation of Cluster State with Charge Qubits in Circuit QED

NASA Astrophysics Data System (ADS)

Wang, Yi-Min; Li, Cheng-Zu

2010-01-01

We propose theoretical schemes to generate highly entangled cluster state with superconducting qubits in a circuit QED architecture. Charge qubits are located inside a superconducting transmission line, which serves as a quantum data bus. We show that large clusters state can be efficiently generated in just one step with the long-range Ising-like unitary operators. The quantum operations which are generally realized by two coupling mechanisms: either voltage coupling or current coupling, depend only on global geometric features and are insensitive not only to the thermal state of the transmission line but also to certain random operation errors. Thus high-fidelity one-way quantum computation can be achieved.

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas

2018-04-01

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.

Assessing the distinguishable cluster approximation based on the triple bond-breaking in the nitrogen molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rishi, Varun; Perera, Ajith; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu

2016-03-28

Obtaining the correct potential energy curves for the dissociation of multiple bonds is a challenging problem for ab initio methods which are affected by the choice of a spin-restricted reference function. Coupled cluster (CC) methods such as CCSD (coupled cluster singles and doubles model) and CCSD(T) (CCSD + perturbative triples) correctly predict the geometry and properties at equilibrium but the process of bond dissociation, particularly when more than one bond is simultaneously broken, is much more complicated. New modifications of CC theory suggest that the deleterious role of the reference function can be diminished, provided a particular subset of termsmore » is retained in the CC equations. The Distinguishable Cluster (DC) approach of Kats and Manby [J. Chem. Phys. 139, 021102 (2013)], seemingly overcomes the deficiencies for some bond-dissociation problems and might be of use in quasi-degenerate situations in general. DC along with other approximate coupled cluster methods such as ACCD (approximate coupled cluster doubles), ACP-D45, ACP-D14, 2CC, and pCCSD(α, β) (all defined in text) falls under a category of methods that are basically obtained by the deletion of some quadratic terms in the double excitation amplitude equation for CCD/CCSD (coupled cluster doubles model/coupled cluster singles and doubles model). Here these approximate methods, particularly those based on the DC approach, are studied in detail for the nitrogen molecule bond-breaking. The N{sub 2} problem is further addressed with conventional single reference methods but based on spatial symmetry-broken restricted Hartree–Fock (HF) solutions to assess the use of these references for correlated calculations in the situation where CC methods using fully symmetry adapted SCF solutions fail. The distinguishable cluster method is generalized: 1) to different orbitals for different spins (unrestricted HF based DCD and DCSD), 2) by adding triples correction perturbatively (DCSD(T)) and iteratively (DCSDT-n), and 3) via an excited state approximation through the equation of motion (EOM) approach (EOM-DCD, EOM-DCSD). The EOM-CC method is used to identify lower-energy CC solutions to overcome singularities in the CC potential energy curves. It is also shown that UHF based CC and DC methods behave very similarly in bond-breaking of N{sub 2}, and that using spatially broken but spin preserving SCF references makes the CCSD solutions better than those for DCSD.« less

Crowded Cluster Cores. Algorithms for Deblending in Dark Energy Survey Images

DOE PAGES

Zhang, Yuanyuan; McKay, Timothy A.; Bertin, Emmanuel; ...

2015-10-26

Deep optical images are often crowded with overlapping objects. We found that this is especially true in the cores of galaxy clusters, where images of dozens of galaxies may lie atop one another. Accurate measurements of cluster properties require deblending algorithms designed to automatically extract a list of individual objects and decide what fraction of the light in each pixel comes from each object. In this article, we introduce a new software tool called the Gradient And Interpolation based (GAIN) deblender. GAIN is used as a secondary deblender to improve the separation of overlapping objects in galaxy cluster cores inmore » Dark Energy Survey images. It uses image intensity gradients and an interpolation technique originally developed to correct flawed digital images. Our paper is dedicated to describing the algorithm of the GAIN deblender and its applications, but we additionally include modest tests of the software based on real Dark Energy Survey co-add images. GAIN helps to extract an unbiased photometry measurement for blended sources and improve detection completeness, while introducing few spurious detections. When applied to processed Dark Energy Survey data, GAIN serves as a useful quick fix when a high level of deblending is desired.« less

Acoustic Disturbances in Galaxy Clusters

NASA Astrophysics Data System (ADS)

Zweibel, Ellen G.; Mirnov, Vladimir V.; Ruszkowski, Mateusz; Reynolds, Christopher S.; Yang, H.-Y. Karen; Fabian, Andrew C.

2018-05-01

Galaxy cluster cores are pervaded by hot gas which radiates at far too high a rate to maintain any semblance of a steady state; this is referred to as the cooling flow problem. Of the many heating mechanisms that have been proposed to balance radiative cooling, one of the most attractive is the dissipation of acoustic waves generated by active galactic nuclei. Fabian et al. showed that if the waves are nearly adiabatic, wave damping due to heat conduction and viscosity must be well below standard Coulomb rates in order to allow the waves to propagate throughout the core. Because of the importance of this result, we have revisited wave dissipation under galaxy cluster conditions in a way that accounts for the self-limiting nature of dissipation by electron thermal conduction, allows the electron and ion temperature perturbations in the waves to evolve separately, and estimates kinetic effects by comparing to a semicollisionless theory. While these effects considerably enlarge the toolkit for analyzing observations of wavelike structures and developing a quantitative theory for wave heating, the drastic reduction of transport coefficients proposed in Fabian et al. remains the most viable path to acoustic wave heating of galaxy cluster cores.

OSO 8 X-ray spectra of clusters of galaxies. II - Discussion

NASA Technical Reports Server (NTRS)

Smith, B. W.; Mushotzky, R. F.; Serlemitsos, P. J.

1979-01-01

An observational description of X-ray clusters of galaxies is given based on OSO 8 X-ray results for spatially integrated spectra of 20 such clusters and various correlations obtained from these results. It is found from a correlation between temperature and velocity dispersion that the X-ray core radius should be less than the galaxy core radius or, alternatively, that the polytropic index is about 1.1 for most of the 20 clusters. Analysis of a correlation between temperature and emission integral yields evidence that more massive clusters accumulate a larger fraction of their mass as intracluster gas. Galaxy densities and optical morphology, as they correlate with X-ray properties, are reexamined for indications as to how mass injection by galaxies affects the density structure of the gas. The physical arguments used to derive iron abundances from observed equivalent widths of iron line features in X-ray spectra are critically evaluated, and the associated uncertainties in abundances derived in this manner are estimated to be quite large.

MicroED Structure of Au146(p-MBA)57 at Subatomic Resolution Reveals a Twinned FCC Cluster.

PubMed

Vergara, Sandra; Lukes, Dylan A; Martynowycz, Michael W; Santiago, Ulises; Plascencia-Villa, Germán; Weiss, Simon C; de la Cruz, M Jason; Black, David M; Alvarez, Marcos M; López-Lozano, Xochitl; Barnes, Christopher O; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L; Gonen, Tamir; Yacaman, Miguel Jose; Calero, Guillermo

2017-11-16

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au 146 (p-MBA) 57 (p-MBA: para-mercaptobenzoic acid), solved by electron micro-diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure, whereas the surface gold atoms follow a C 2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au 146 (p-MBA) 57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault.

MicroED structure of Au146(p-MBA)57 at subatomic resolution reveals a twinned FCC cluster

PubMed Central

Vergara, Sandra; Lukes, Dylan A.; Martynowycz, Michael W.; Santiago, Ulises; Plascencia-Villa, German; Weiss, Simon C.; de la Cruz, M. Jason; Black, David M.; Alvarez, Marcos M.; Lopez-Lozano, Xochitl; Barnes, Christopher O.; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L.; Gonen, Tamir; Jose-Yacaman, Miguel; Calero, Guillermo

2018-01-01

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au146(p-MBA)57 (p-MBA: para-mercaptobenzoic acid), solved by electron diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure whereas the surface gold atoms follow a C2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au146(p-MBA)57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault. PMID:29072840

Coarse-Grained Clustering Dynamics of Heterogeneously Coupled Neurons.

PubMed

Moon, Sung Joon; Cook, Katherine A; Rajendran, Karthikeyan; Kevrekidis, Ioannis G; Cisternas, Jaime; Laing, Carlo R

2015-12-01

The formation of oscillating phase clusters in a network of identical Hodgkin-Huxley neurons is studied, along with their dynamic behavior. The neurons are synaptically coupled in an all-to-all manner, yet the synaptic coupling characteristic time is heterogeneous across the connections. In a network of N neurons where this heterogeneity is characterized by a prescribed random variable, the oscillatory single-cluster state can transition-through [Formula: see text] (possibly perturbed) period-doubling and subsequent bifurcations-to a variety of multiple-cluster states. The clustering dynamic behavior is computationally studied both at the detailed and the coarse-grained levels, and a numerical approach that can enable studying the coarse-grained dynamics in a network of arbitrarily large size is suggested. Among a number of cluster states formed, double clusters, composed of nearly equal sub-network sizes are seen to be stable; interestingly, the heterogeneity parameter in each of the double-cluster components tends to be consistent with the random variable over the entire network: Given a double-cluster state, permuting the dynamical variables of the neurons can lead to a combinatorially large number of different, yet similar "fine" states that appear practically identical at the coarse-grained level. For weak heterogeneity we find that correlations rapidly develop, within each cluster, between the neuron's "identity" (its own value of the heterogeneity parameter) and its dynamical state. For single- and double-cluster states we demonstrate an effective coarse-graining approach that uses the Polynomial Chaos expansion to succinctly describe the dynamics by these quickly established "identity-state" correlations. This coarse-graining approach is utilized, within the equation-free framework, to perform efficient computations of the neuron ensemble dynamics.

The center of the core-cusp globular cluster M15: CFHT and HST Observations, ALLFRAME reductions

NASA Astrophysics Data System (ADS)

Stetson, Peter B.

1994-03-01

The central brightness cusps seen in some globular clusters are thought to be the relics of a gravothermal core collapse that occurred sometime in the clusters' past. Recent observations show that the centers of such clusters are bluer than their outskirts, indicating that the stellar populations there are somehow different than those farther out, presumably as a result of unusual physical processes that took place in these extremely dense regions. Here I analyze a large body of digital imagery from the Canada-France-Hawaii Telescope and the Hubble Space Telescope to obtain color-magnitude and color-color diagrams for stars in the central two arcminutes of the prototypical core-cusp globular cluster M15 = NGC 7078 = C 2127 + 119. These data were reduced with a new computer program, named ALLFRAME, that is described in detail here for the first time. ALLFRAME makes simultaneous use of the geometric and photometric information from all images of a given field to derive a self-consistent set of positions and magnitudes for all detected starlike objects in that area of sky, thereby extending the range of magnitude and crowding conditions for which useful photometry is obtainable. I tentatively conclude that the color gradient in M15 is due to three distinct effects: (1) there is a deficiency of the brightest red giants in the central regions of the cluster; (2) the giant branch of the dominant cluster population shifts systematically toward the blue as the center of the cluster is approached; and (3) the very center of the cluster (radius approximately equal or less than 12 seconds) contains a large population of blue and yellow stragglers that occupy the area of the color-magnitude diagram between the main-sequence turnoff and the horizontal branch and between the extended blue horizontal branch and the subgiant branch; many of these appear to have a significant ultraviolet excess.

On the joint inversion of geophysical data for models of the coupled core-mantle system

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

1991-01-01

Joint inversion of magnetic, earth rotation, geoid, and seismic data for a unified model of the coupled core-mantle system is proposed and shown to be possible. A sample objective function is offered and simplified by targeting results from independent inversions and summary travel time residuals instead of original observations. These data are parameterized in terms of a very simple, closed model of the topographically coupled core-mantle system. Minimization of the simplified objective function leads to a nonlinear inverse problem; an iterative method for solution is presented. Parameterization and method are emphasized; numerical results are not presented.

The Cosmological Impact of Luminous TeV Blazars. III. Implications for Galaxy Clusters and the Formation of Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Pfrommer, Christoph; Chang, Philip; Broderick, Avery E.

2012-06-01

A subset of blazars are powerful TeV emitters, dominating the extragalactic component of the very high energy gamma-ray universe (E >~ 100 GeV). These TeV gamma rays generate ultrarelativistic electron-positron pairs via pair production with the extragalactic background light. While it has generally been assumed that the kinetic energy of these pairs cascades to GeV gamma rays via inverse Compton scattering, we have argued in Broderick et al. (Paper I in this series) that plasma beam instabilities are capable of dissipating the pairs' energy locally on timescales short in comparison to the inverse Compton cooling time, heating the intergalactic medium (IGM) with a rate that is independent of density. This dramatically increases the entropy of the IGM after redshift z ~ 2, with a number of important implications for structure formation: (1) this suggests a scenario for the origin of the cool core (CC)/non-cool core (NCC) bimodality in galaxy clusters and groups. Early-forming galaxy groups are unaffected because they can efficiently radiate the additional entropy, developing a CC. However, late-forming groups do not have sufficient time to cool before the entropy is gravitationally reprocessed through successive mergers—counteracting cooling and potentially raising the core entropy further. This may result in a population of X-ray dim groups/clusters, consistent with X-ray stacking analyses of optically selected samples. Hence, blazar heating works differently than feedback by active galactic nuclei, which we show can balance radiative cooling but is unable to transform CC into NCC clusters on the buoyancy timescale due to the weak coupling between the mechanical energy to the cluster gas. (2) We predict a suppression of the Sunyaev-Zel'dovich (SZ) power spectrum template on angular scales smaller than 5' due to the globally reduced central pressure of groups and clusters forming after z ~ 1. This allows for a larger rms amplitude of the density power spectrum, σ8, and may reconcile SZ-inferred values with those by other cosmological probes even after allowing for a contribution due to patchy reionization. (3) Our redshift-dependent entropy floor increases the characteristic halo mass below which dwarf galaxies cannot form by a factor of approximately 10 (50) at mean density (in voids) over that found in models that include photoionization alone. This prevents the formation of late-forming dwarf galaxies (z <~ 2) with masses ranging from 1010 to 1011 M ⊙ for redshifts z ~ 2 to 0, respectively. This may help resolve the "missing satellite problem" in the Milky Way of the low observed abundances of dwarf satellites compared to cold dark matter simulations and may bring the observed early star formation histories into agreement with galaxy formation models. At the same time, it explains the "void phenomenon" by suppressing the formation of galaxies within existing dwarf halos of masses <3 × 1010 M ⊙ with a maximum circular velocity <60 km s-1 for z <~ 2, hence reconciling the number of dwarfs in low-density regions in simulations and the paucity of those in observations.

Far-ultraviolet observation of the globular cluster NGC 6397

NASA Astrophysics Data System (ADS)

Dieball, A.; Rasekh, A.; Knigge, C.; Shara, M.; Zurek, D.

2017-07-01

We present an observational far-ultraviolet (FUV) and near-ultraviolet (NUV) study of the core region of the globular cluster (GC) NGC 6397. The observations were obtained with the Space Telescope Imaging Spectrograph (STIS, FUV) and the Wide Field Camera 3 (NUV) on board the Hubble Space Telescope. Here, we focus on the UV-bright stellar populations such as blue stragglers (BSs), white dwarfs (WDs) and cataclysmic variables (CVs). We present the first FUV - NUV colour-magnitude diagram (CMD) for this cluster. To support our classification of the stellar populations, we compare our FUV - NUV CMD with optical data from the ACS Survey of Galactic Globular Clusters. The FUV - NUV CMD indicates 16 sources located in the WD area, and 10 BSs within the 25 × 25 arcsec2 of the STIS FUV data. 18 Chandra X-ray sources are located within the FUV field of view. 13 of those have an NUV counterpart, of which 9 sources also have an FUV counterpart. Out of those, five sources are previously suggested CVs, and indeed, all five are located in the WD/CV region in our FUV - NUV CMD. Another CV has only an FUV but no NUV counterpart. We also detect an NUV (but no FUV) counterpart to the millisecond pulsar (MSP) located in the core of this cluster. The NUV light curves of the CVs and MSP show flickering behaviour typical of CVs. We found that the BSs and CVs are the most centrally concentrated populations. This might be an effect of mass segregation or it might indicate the preferred birth place of BSs and CVs via dynamical interactions in the dense core region of GCs. Horizontal branch stars are the least centrally concentrated population and absent in the innermost area of the core.

A note on the accuracy of KS-DFT densities

NASA Astrophysics Data System (ADS)

Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J.

2017-11-01

The accuracy of the density of wave function methods and Kohn-Sham (KS) density functionals is studied using moments of the density, ⟨rn ⟩ =∫ ρ (r )rnd τ =∫0∞4 π r2ρ (r ) rnd r ,where n =-1 ,-2,0,1,2 ,and 3 provides information about the short- and long-range behavior of the density. Coupled cluster (CC) singles, doubles, and perturbative triples (CCSD(T)) is considered as the reference density. Three test sets are considered: boron through neon neutral atoms, two and four electron cations, and 3d transition metals. The total density and valence only density are distinguished by dropping appropriate core orbitals. Among density functionals tested, CAMQTP00 and ωB97x show the least deviation for boron through neon neutral atoms. They also show accurate eigenvalues for the HOMO indicating that they should have a more correct long-range behavior for the density. For transition metals, some density functional approximations outperform some wave function methods, suggesting that the KS determinant could be a better starting point for some kinds of correlated calculations. By using generalized many-body perturbation theory (MBPT), the convergence of second-, third-, and fourth-order KS-MBPT for the density is addressed as it converges to the infinite-order coupled cluster result. For the transition metal test set, the deviations in the KS density functional theory methods depend on the amount of exact exchange the functional uses. Functionals with exact exchange close to 25% show smaller deviations from the CCSD(T) density.

Atmospheric gas dynamics in the Perseus cluster observed with Hitomi

NASA Astrophysics Data System (ADS)

Hitomi Collaboration; Aharonian, Felix; Akamatsu, Hiroki; Akimoto, Fumie; Allen, Steven W.; Angelini, Lorella; Audard, Marc; Awaki, Hisamitsu; Axelsson, Magnus; Bamba, Aya; Bautz, Marshall W.; Blandford, Roger; Brenneman, Laura W.; Brown, Gregory V.; Bulbul, Esra; Cackett, Edward M.; Canning, Rebecca E. A.; Chernyakova, Maria; Chiao, Meng P.; Coppi, Paolo S.; Costantini, Elisa; de Plaa, Jelle; de Vries, Cor P.; den Herder, Jan-Willem; Done, Chris; Dotani, Tadayasu; Ebisawa, Ken; Eckart, Megan E.; Enoto, Teruaki; Ezoe, Yuichiro; Fabian, Andrew C.; Ferrigno, Carlo; Foster, Adam R.; Fujimoto, Ryuichi; Fukazawa, Yasushi; Furuzawa, Akihiro; Galeazzi, Massimiliano; Gallo, Luigi C.; Gandhi, Poshak; Giustini, Margherita; Goldwurm, Andrea; Gu, Liyi; Guainazzi, Matteo; Haba, Yoshito; Hagino, Kouichi; Hamaguchi, Kenji; Harrus, Ilana M.; Hatsukade, Isamu; Hayashi, Katsuhiro; Hayashi, Takayuki; Hayashi, Tasuku; Hayashida, Kiyoshi; Hiraga, Junko S.; Hornschemeier, Ann; Hoshino, Akio; Hughes, John P.; Ichinohe, Yuto; Iizuka, Ryo; Inoue, Hajime; Inoue, Shota; Inoue, Yoshiyuki; Ishida, Manabu; Ishikawa, Kumi; Ishisaki, Yoshitaka; Iwai, Masachika; Kaastra, Jelle; Kallman, Tim; Kamae, Tsuneyoshi; Kataoka, Jun; Katsuda, Satoru; Kawai, Nobuyuki; Kelley, Richard L.; Kilbourne, Caroline A.; Kitaguchi, Takao; Kitamoto, Shunji; Kitayama, Tetsu; Kohmura, Takayoshi; Kokubun, Motohide; Koyama, Katsuji; Koyama, Shu; Kretschmar, Peter; Krimm, Hans A.; Kubota, Aya; Kunieda, Hideyo; Laurent, Philippe; Lee, Shiu-Hang; Leutenegger, Maurice A.; Limousin, Olivier; Loewenstein, Michael; Long, Knox S.; Lumb, David; Madejski, Greg; Maeda, Yoshitomo; Maier, Daniel; Makishima, Kazuo; Markevitch, Maxim; Matsumoto, Hironori; Matsushita, Kyoko; McCammon, Dan; McNamara, Brian R.; Mehdipour, Missagh; Miller, Eric D.; Miller, Jon M.; Mineshige, Shin; Mitsuda, Kazuhisa; Mitsuishi, Ikuyuki; Miyazawa, Takuya; Mizuno, Tsunefumi; Mori, Hideyuki; Mori, Koji; Mukai, Koji; Murakami, Hiroshi; Mushotzky, Richard F.; Nakagawa, Takao; Nakajima, Hiroshi; Nakamori, Takeshi; Nakashima, Shinya; Nakazawa, Kazuhiro; Nobukawa, Kumiko K.; Nobukawa, Masayoshi; Noda, Hirofumi; Odaka, Hirokazu; Ohashi, Takaya; Ohno, Masanori; Okajima, Takashi; Ota, Naomi; Ozaki, Masanobu; Paerels, Frits; Paltani, Stéphane; Petre, Robert; Pinto, Ciro; Porter, Frederick S.; Pottschmidt, Katja; Reynolds, Christopher S.; Safi-Harb, Samar; Saito, Shinya; Sakai, Kazuhiro; Sasaki, Toru; Sato, Goro; Sato, Kosuke; Sato, Rie; Sawada, Makoto; Schartel, Norbert; Serlemtsos, Peter J.; Seta, Hiromi; Shidatsu, Megumi; Simionescu, Aurora; Smith, Randall K.; Soong, Yang; Stawarz, Łukasz; Sugawara, Yasuharu; Sugita, Satoshi; Szymkowiak, Andrew; Tajima, Hiroyasu; Takahashi, Hiromitsu; Takahashi, Tadayuki; Takeda, Shin'ichiro; Takei, Yoh; Tamagawa, Toru; Tamura, Takayuki; Tanaka, Keigo; Tanaka, Takaaki; Tanaka, Yasuo; Tanaka, Yasuyuki T.; Tashiro, Makoto S.; Tawara, Yuzuru; Terada, Yukikatsu; Terashima, Yuichi; Tombesi, Francesco; Tomida, Hiroshi; Tsuboi, Yohko; Tsujimoto, Masahiro; Tsunemi, Hiroshi; Tsuru, Takeshi Go; Uchida, Hiroyuki; Uchiyama, Hideki; Uchiyama, Yasunobu; Ueda, Shutaro; Ueda, Yoshihiro; Uno, Shin'ichiro; Urry, C. Megan; Ursino, Eugenio; Wang, Qian H. S.; Watanabe, Shin; Werner, Norbert; Wilkins, Dan R.; Williams, Brian J.; Yamada, Shinya; Yamaguchi, Hiroya; Yamaoka, Kazutaka; Yamasaki, Noriko Y.; Yamauchi, Makoto; Yamauchi, Shigeo; Yaqoob, Tahir; Yatsu, Yoichi; Yonetoku, Daisuke; Zhuravleva, Irina; Zoghbi, Abderahmen

2018-03-01

Extending the earlier measurements reported in Hitomi collaboration (2016, Nature, 535, 117), we examine the atmospheric gas motions within the central 100 kpc of the Perseus cluster using observations obtained with the Hitomi satellite. After correcting for the point spread function of the telescope and using optically thin emission lines, we find that the line-of-sight velocity dispersion of the hot gas is remarkably low and mostly uniform. The velocity dispersion reaches a maxima of approximately 200 km s-1 toward the central active galactic nucleus (AGN) and toward the AGN inflated northwestern "ghost" bubble. Elsewhere within the observed region, the velocity dispersion appears constant around 100 km s-1. We also detect a velocity gradient with a 100 km s-1 amplitude across the cluster core, consistent with large-scale sloshing of the core gas. If the observed gas motions are isotropic, the kinetic pressure support is less than 10% of the thermal pressure support in the cluster core. The well-resolved, optically thin emission lines have Gaussian shapes, indicating that the turbulent driving scale is likely below 100 kpc, which is consistent with the size of the AGN jet inflated bubbles. We also report the first measurement of the ion temperature in the intracluster medium, which we find to be consistent with the electron temperature. In addition, we present a new measurement of the redshift of the brightest cluster galaxy NGC 1275.

Synthesis and Structure of an Extended Cluster Lead(II) Carboxylate, [Pb{(CO)(9)Co(3)(&mgr;(3)-CCO(2))}(2)](n)(). Role of Core Metals in Cluster-Derived Hydrogenation Catalysts.

PubMed

Lei, Xinjian; Shang, Maoyu; Patil, Atul; Wolf, Eduardo E.; Fehlner, Thomas P.

1996-05-22

The reaction of lead acetate with (CO)(9)Co(3)(&mgr;(3)-CCOOH) leads to the formation of [Pb{(CO)(9)Co(3)(&mgr;(3)-CCO(2))}(2)](n)(), I, in high yield. The structure of I exhibits unusual six-coordinate Pb(II) centers with two asymmetrical chelating cluster carboxylates (C(22)Co(6)PbO(22); triclinic P&onemacr;; a = 8.119(1), b = 14.346(2), c = 14.660(2) Å; alpha = 102.18(1), beta = 99.01(1), gamma = 97.30(1) degrees; Z = 2). One oxygen of each cluster carboxylate ligand bridges between adjacent lead atoms such that a chainlike extended structure is found in the solid state without the presence of solvent or water. I is converted stepwise on pyrolysis into two metastable forms of solid materials (designated LT and HT), each of which has been characterized spectroscopically. The hydrogenation of 2-butenal as a test reaction shows that the LT catalyst exhibits selectivities similar to previous LT materials derived from other cobalt cluster metal carboxylates and that the HT material is totally inactive. The observed release of the lead core metal under HT activation conditions totally inactivates the catalyst and demonstrates exposure of the core metal in the HT form of these novel catalysts.

Rolling dry-coupled transducers for ultrasonic inspections of aging aircraft structures

NASA Astrophysics Data System (ADS)

Komsky, Igor N.

2004-07-01

Some advanced aircraft materials or coatings are porous or otherwise sensitive to the application of water, gel, or some other ultrasonic couplants. To overcome the problems associated with the liquid coupling medium, dry-coupled rolling modules were developed at Northwestern University for the transmission of both longitudinal and transverse ultrasonic waves at frequencies up to 10 MHz. Dry-coupled ultrasonic modules contain solid core internal stators and solid or flexible external rotors with the flexible polymer substrates. Two types of the dry-coupled modules are under development. Cylindrical base transducer modules include solid core cylindrical rotors with flexible polymer substrates that rotate around the stators with ultrasonic elements. Dry-coupled modules with elongated bases contain solid core stators and flexible track-like polymer substrates that rotate around the stators as rotors of the modules. The elongated base modules have larger contact interfaces with the inspection surface in comparison with the cylindrical base modules. Some designs of the dry-coupled rolling modules contain several ultrasonic elements with different incident angles or a variable angle unit for rapid adjustments of incident angles. The prototype dry-coupled rolling modules were integrated with the portable ultrasonic inspection systems and tested on a number of Boeing aircraft structures.

Initial Coupling of the RELAP-7 and PRONGHORN Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

J. Ortensi; D. Andrs; A.A. Bingham

2012-10-01

Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations inmore » 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.« less

Structure of overheated metal clusters: MD simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vorontsov, Alexander

2015-08-17

The structure of overheated metal clusters appeared in condensation process was studied by computer simulation techniques. It was found that clusters with size larger than several tens of atoms have three layers: core part, intermediate dense packing layer and a gas- like shell with low density. The change of the size and structure of these layers with the variation of internal energy and the size of cluster is discussed.

Differential global structural changes in the core particle of yeast and mouse proteasome induced by ligand binding

PubMed Central

Arciniega, Marcelino; Beck, Philipp; Lange, Oliver F.; Groll, Michael; Huber, Robert

2014-01-01

Two clusters of configurations of the main proteolytic subunit β5 were identified by principal component analysis of crystal structures of the yeast proteasome core particle (yCP). The apo-cluster encompasses unliganded species and complexes with nonpeptidic ligands, and the pep-cluster comprises complexes with peptidic ligands. The murine constitutive CP structures conform to the yeast system, with the apo-form settled in the apo-cluster and the PR-957 (a peptidic ligand) complex in the pep-cluster. In striking contrast, the murine immune CP classifies into the pep-cluster in both the apo and the PR-957–liganded species. The two clusters differ essentially by multiple small structural changes and a domain motion enabling enclosure of the peptidic ligand and formation of specific hydrogen bonds in the pep-cluster. The immune CP species is in optimal peptide binding configuration also in its apo form. This favors productive ligand binding and may help to explain the generally increased functional activity of the immunoproteasome. Molecular dynamics simulations of the representative murine species are consistent with the experimentally observed configurations. A comparison of all 28 subunits of the unliganded species with the peptidic liganded forms demonstrates a greatly enhanced plasticity of β5 and suggests specific signaling pathways to other subunits. PMID:24979800

Effects of Chinese herbal medicines on the occurrence of diabetic retinopathy in type 2 diabetes patients and protection of ARPE-19 retina cells by inhibiting oxidative stress

PubMed Central

Cheng, Chi-Fung; Ho, Tsung-Jung; Liu, Xiang; Tsang, Hsinyi; Lin, Ting-Hsu; Liao, Chiu-Chu; Li, Ju-Pi; Huang, Shao-Mei; Lin, Jung-Chun; Lin, Chih-Chien

2017-01-01

Diabetic retinopathy is a microvascular complication of type 2 diabetes and the leading cause of acquired blindness. In Taiwan, Chinese herbal medicine (CHM) is a popular adjunctive therapy. In this study, we investigated the CHM prescription patterns and their effects. We identified 23,701 subjects with type 2 diabetes in a database, and after matching for age and gender, 6,948 patients each were assigned to CHM and non-CHM groups. In the female subgroups, the cumulative retinopathy probability was lower for the CHM users than that for the CHM non-users (P < 0.001, log-rank test). Among the top 10 CHMs, Jia-Wei-Xiao-Yao-San (JWXYS; 52.9%), Shu-Jing-Huo-Xue-Tang (SJHXT; 45.1%), and Ge-Gen-Tang (GGT; 43.7%) were the most common herbal formulas. Yan-Hu-Suo (48.1%), Ge-Gen (42.1%), and Huang-Qin (HQin; 40.1%) were the most common single herbs. CHM network analysis showed that JWXYS was the core CHM of cluster 1. JWXYS, DS, XF, and SZRT exhibited both of the reductions of H2O2-induced phosphorylation of p38 MAPK and p44/42 MAPK (Erk1/2) in human ARPE-19 retina cells. In cluster 2, SJHXT was the core CHM. SJHXT and NX showed both of the phosphorylation reductions. In cluster 3, GGT was the core CHM, and it reduced the phosphorylation of both MAPKs. In cluster 4, HQin was the core CHM, and it also reduced the phosphorylation of both MAPKs. Our study suggests that adjunctive CHM therapy may reduce diabetic retinopathy via antioxidant activity of the herbs and provides information on core CHM treatments for further scientific investigations or therapeutic interventions. PMID:28969009