scispace - formally typeset
Search or ask a question

Showing papers on "Cluster (physics) published in 2005"


Journal ArticleDOI
TL;DR: The quantum cluster theory as discussed by the authors is a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation.
Abstract: This article reviews quantum cluster theories, a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding mean-field approximation when the cluster size becomes 1. Although quantum cluster theories were originally developed to treat disordered systems, they have more recently been applied to the study of ordered and disordered correlated systems, which will be the focus of this review. After a brief historical review, the authors provide detailed derivations of three cluster formalisms: the cluster perturbation theory, the dynamical cluster approximation, and the cellular dynamical mean-field theory. They compare their advantages and review their applications to common models of correlated electron systems.

955 citations


Journal ArticleDOI
TL;DR: Using first-principles calculations based on density functional theory, it is shown that Ti atoms would prefer to cluster on the C60 surface, which can significantly alter the nature of hydrogen bonding, thus affecting not only the amount of stored hydrogen but also their thermodynamics and kinetics.
Abstract: Recent efforts in finding materials suitable for storing hydrogen with large gravimetric density have focused attention on carbon-based nanostructures. Unfortunately, pure carbon nanotubes and fullerenes are unsuitable as hydrogen storage materials because of the weak bonding of the hydrogen molecules to the carbon frame. It has been shown very recently that coating of carbon nanostructures with isolated transition metal atoms such as Sc and Ti can increase the binding energy of hydrogen and lead to high storage capacity (up to 8 wt % hydrogen, which is 1.6 times the U.S. Department of Energy target set for 2005). This prediction has led to a great deal of excitement in the fuel cell community [see The Fuel Cell Review, http://fcr.iop.org/articles/features/2/7/4]. However, this prediction depends on the assumption that the metal atoms coated on the fullerene surface will remain isolated. Using first-principles calculations based on density functional theory, we show that Ti atoms would prefer to cluster on the C60 surface, which can significantly alter the nature of hydrogen bonding, thus affecting not only the amount of stored hydrogen but also their thermodynamics and kinetics.

638 citations


Journal ArticleDOI
TL;DR: The 2D- to-3D structural transition observed at B20, reminiscent of the ring-to-fullerene transition at C20 in carbon clusters, suggests it may be considered as the embryo of the thinnest single-walled boron nanotubes.
Abstract: Experimental and computational simulations revealed that boron clusters, which favor planar (2D) structures up to 18 atoms, prefer 3D structures beginning at 20 atoms. Using global optimization methods, we found that the B20 neutral cluster has a double-ring tubular structure with a diameter of 5.2 A. For the B(-)20 anion, the tubular structure is shown to be isoenergetic to 2D structures, which were observed and confirmed by photoelectron spectroscopy. The 2D-to-3D structural transition observed at B20, reminiscent of the ring-to-fullerene transition at C20 in carbon clusters, suggests it may be considered as the embryo of the thinnest single-walled boron nanotubes.

461 citations


Journal ArticleDOI
14 Jan 2005-Science
TL;DR: Two classes of gas-phase aluminum-iodine clusters have been identified whose stability and reactivity can be understood in terms of the spherical shell jellium model and the potential synthetic utility of superatom chemistry built upon these motifs is addressed.
Abstract: Two classes of gas-phase aluminum-iodine clusters have been identified whose stability and reactivity can be understood in terms of the spherical shell jellium model. Experimental reactivity studies show that the Al13I –x clusters exhibit pronounced stability for even numbers of I atoms. Theoretical investigations reveal that the enhanced stability is associated with complementary pairs of I atoms occupying the on-top sites on the opposing Al atoms of the Al13– core. We also report the existence of another series, Al14I –x, that exhibits stability for odd numbers of I atoms. This series can be described as consisting of an Al14I –3 core upon which the I atoms occupy on-top locations around the Al atoms. The potential synthetic utility of superatom chemistry built upon these motifs is addressed.

403 citations


Journal ArticleDOI
TL;DR: These findings imply that dynamical arrest occurs via cluster growth and association in suspensions of model colloidal particles with short-ranged attractive and long-ranged repulsive interactions by means of three-dimensional fluorescence confocal microscopy.
Abstract: We study gelation in suspensions of model colloidal particles with short-ranged attractive and long-ranged repulsive interactions by means of three-dimensional fluorescence confocal microscopy. At low packing fractions, particles form stable equilibrium clusters. Upon increasing the packing fraction the clusters grow in size and become increasingly anisotropic until finally associating into a fully connected network at gelation. We find a surprising order in the gel structure. Analysis of spatial and orientational correlations reveals that the gel is composed of dense chains of particles constructed from face-sharing tetrahedral clusters. Our findings imply that dynamical arrest occurs via cluster growth and association.

373 citations


Journal ArticleDOI
07 Jan 2005-Science
TL;DR: In this article, the authors used photoelectron imaging to characterize a class of (H2O)n− and (D2On−)n-cluster anions with vertical binding energies that are significantly lower than those previously recorded.
Abstract: Anionic water clusters have long been studied to infer properties of the bulk hydrated electron. We used photoelectron imaging to characterize a class of (H2O)n– and (D2O)n– cluster anions (n ≤ 200 molecules) with vertical binding energies that are significantly lower than those previously recorded. The data are consistent with a structure in which the excess electron is bound to the surface of the cluster. This result implies that the excess electron in previously observed water-cluster anions, with higher vertical binding energies, was internally solvated. Thus, the properties of those clusters could be extrapolated to those of the bulk hydrated electron.

368 citations


Journal ArticleDOI
TL;DR: In this article, the fundamental electronic and magnetic properties of metal clusters deposited on surfaces and in matrices are discussed. And the influence of capping layers and deposition into matrices is discussed.

341 citations


Journal ArticleDOI
TL;DR: In this article, a low-viscosity formulation of smoothed particle hydrodynamics (SPH) is proposed, where an individual, time-variable viscosity is used for each particle, following a suggestion by Morris & Monaghan.
Abstract: Smoothed particle hydrodynamics (SPH) employs an artificial viscosity to properly capture hydrodynamic shock waves. In its original formulation, the resulting numerical viscosity is large enough to suppress structure in the velocity field on scales well above the nominal resolution limit, and to damp the generation of turbulence by fluid instabilities. This could artificially suppress random gas motions in the intracluster medium (ICM), which are driven by infalling structures during the hierarchical structure formation process. We show that this is indeed the case by analysing results obtained with an SPH formulation where an individual, time-variable viscosity is used for each particle, following a suggestion by Morris & Monaghan. Using test calculations involving strong shocks, we demonstrate that this scheme captures shocks as well as the original formulation of SPH, but, in regions away from shocks, the numerical viscosity is much smaller. In a set of nine high-resolution simulations of cosmological galaxy cluster formation, we find that this low-viscosity formulation of SPH produces substantially higher levels of turbulent gas motions in the ICM, reaching a kinetic energy content in random gas motions (measured within a 1-Mpc cube) of up to 5‐30 per cent of the thermal energy content, depending on cluster mass. This also has significant effects on radial gas profiles and bulk cluster properties. We find a central flattening of the entropy profile and a reduction of the central gas density in the low-viscosity scheme. As a consequence, the bolometric X-ray luminosity is decreased by about a factor of 2. However, the cluster temperature profile remains essentially unchanged. Interestingly, this tends to reduce the differences seen in SPH and adaptive mesh refinement simulations of cluster formation. Finally, invoking a model for particle acceleration by magnetohydrodynamics waves driven by turbulence, we find that efficient electron acceleration and thus diffuse radio emission can be powered in the clusters simulated with the low-viscosity scheme provided that more than 5‐10 per cent of the turbulent energy density is associated with fast magneto-sonic modes.

328 citations


Journal ArticleDOI
TL;DR: The C4 cluster catalog as discussed by the authors is a collection of 748 clusters of galaxies identified in the spectroscopic sample of the Second Data Release (DR2) of the Sloan Digital Sky Survey (SDSS).
Abstract: We present the C4 Cluster Catalog, a new sample of 748 clusters of galaxies identified in the spectroscopic sample of the Second Data Release (DR2) of the Sloan Digital Sky Survey (SDSS). The C4 cluster-finding algorithm identifies clusters as overdensities in a seven-dimensional position and color space, thus minimizing projection effects that have plagued previous optical cluster selection. The present C4 catalog covers ~2600 deg2 of sky and ranges in redshift from z = 0.02 to 0.17. The mean cluster membership is 36 galaxies (with measured redshifts) brighter than r = 17.7, but the catalog includes a range of systems, from groups containing 10 members to massive clusters with over 200 cluster members with measured redshifts. The catalog provides a large number of measured cluster properties including sky location, mean redshift, galaxy membership, summed r-band optical luminosity (Lr), and velocity dispersion, as well as quantitative measures of substructure and the surrounding large-scale environment. We use new, multicolor mock SDSS galaxy catalogs, empirically constructed from the ΛCDM Hubble Volume (HV) Sky Survey output, to investigate the sensitivity of the C4 catalog to the various algorithm parameters (detection threshold, choice of passbands, and search aperture), as well as to quantify the purity and completeness of the C4 cluster catalog. These mock catalogs indicate that the C4 catalog is 90% complete and 95% pure above M200 = 1 × 1014 h-1 M⊙ and within 0.03 ≤ z ≤ 0.12. Using the SDSS DR2 data, we show that the C4 algorithm finds 98% of X-ray–identified clusters and 90% of Abell clusters within 0.03 ≤ z ≤ 0.12. Using the mock galaxy catalogs and the full HV dark matter simulations, we show that the Lr of a cluster is a more robust estimator of the halo mass (M200) than the galaxy line-of-sight velocity dispersion or the richness of the cluster. However, if we exclude clusters embedded in complex large-scale environments, we find that the velocity dispersion of the remaining clusters is as good an estimator of M200 as Lr. The final C4 catalog will contain 2500 clusters using the full SDSS data set and will represent one of the largest and most homogeneous samples of local clusters.

324 citations


Journal ArticleDOI
TL;DR: In this article, the authors present a simple formula giving both the normalization and slope for the power-law entropy profiles of clusters that form in the absence of non-gravitational processes such as radiative cooling and subsequent feedback.
Abstract: The radial entropy profile of the hot gas in clusters of galaxies tends to follow a power law in radius outside of the cluster core. Here we present a simple formula giving both the normalization and slope for the power-law entropy profiles of clusters that form in the absence of non-gravitational processes such as radiative cooling and subsequent feedback. It is based on 71 clusters drawn from four separate cosmological simulations, two using smoothed particle hydrodynamics and two using adaptive-mesh refinement (AMR), and can be used as a baseline for assessing the impact of non-gravitational processes on the intracluster medium outside of cluster cores. All the simulations produce clusters with self-similar structure in which the normalization of the entropy profile scales linearly with cluster temperature, and these profiles are in excellent agreement outside of 0.2r 200 . Because the observed entropy profiles of clusters do not scale linearly with temperature, our models confirm that non-gravitational processes are necessary to break the self-similarity seen in the simulations. However, the core entropy levels found by the two codes used here significantly differ, with the AMR code producing nearly twice as much entropy at the centre of a cluster.

301 citations


Journal ArticleDOI
TL;DR: The aim of this work is to single out the driving forces that make different structural motifs the most favorable at different sizes and chemical compositions.
Abstract: A genetic algorithm approach is applied to the optimization of the potential energy of a wide range of binary metallic nanoclusters, Ag-Cu, Ag-Ni, Au-Cu, Ag-Pd, Ag-Au, and Pd-Pt, modeled by a semiempirical potential. The aim of this work is to single out the driving forces that make different structural motifs the most favorable at different sizes and chemical compositions. Paper I is devoted to the analysis of size-mismatched systems, namely, Ag-Cu, Ag-Ni, and Au-Cu clusters. In Ag-Cu and Ag-Ni clusters, the large size mismatch and the tendency of Ag to segregate at the surface of Cu and Ni lead to the location of core-shell polyicosahedral minimum structures. Particularly stable polyicosahedral clusters are located at size N = 34 (at the composition with 27 Ag atoms) and N = 38 (at the composition with 32 and 30 Ag atoms). In Ag-Ni clusters, Ag32Ni13 is also shown to be a good energetic configuration. For Au-Cu clusters, these core-shell polyicosahedra are less common, because size mismatch is not reinforced by a strong tendency to segregation of Au at the surface of Cu, and Au atoms are not well accommodated upon the strained polyicosahedral surface.

Journal ArticleDOI
TL;DR: In this article, the authors studied how the proportion of star-forming galaxies evolves between z = 0.4-0.8 and z=0 as a function of galaxy environment using the [OII] line in emission as a signature of ongoing star formation.
Abstract: We study how the proportion of star-forming galaxies evolves between z=0.8 and z=0 as a function of galaxy environment, using the [OII] line in emission as a signature of ongoing star formation. Our high-z dataset comprises 16 clusters, 10 groups and another 250 galaxies in poorer groups and the field at z=0.4-0.8 from the ESO Distant Cluster Survey, plus another 9 massive clusters at similar redshifts. As a local comparison, we use samples of galaxy systems selected from the Sloan Digital Sky Survey at 0.04< z < 0.08. At high-z most systems follow a broad anticorrelation between the fraction of star-forming galaxies and the system velocity dispersion. At face value, this suggests that at z=0.4-0.8 the mass of the system largely determines the proportion of galaxies with ongoing star formation. At these redshifts the strength of star formation (as measured by the [OII] equivalent width) in star-forming galaxies is also found to vary systematically with environment. Sloan clusters have much lower fractions of star-forming galaxies than clusters at z=0.4-0.8 and, in contrast with the distant clusters, show a plateau for velocity dispersions $ \ge 550 km s^-1$, where the fraction of galaxies with [OII] emission does not vary systematically with velocity dispersion. We quantify the evolution of the proportion of star-forming galaxies as a function of the system velocity dispersion and find it is strongest in intermediate-mass systems (sigma ~ 500-600 km s^-1 at z=0). To understand the origin of the observed trends, we use the Press-Schechter formalism and the Millennium Simulation and show that galaxy star formation histories may be closely related to the growth history of clusters and groups. We propose a scheme that is able to account for the observed relations between the star-forming fraction and \sigma [abridged].

Journal ArticleDOI
TL;DR: In this paper, the authors present a comprehensive space-based study of ten X-ray luminous galaxy clusters (L_X>=8e44erg/s[0.1-2.4keV]) at z=0.2 and show that (30+/-20)% of the clusters form a homogeneous sub-sample of relaxed clusters; the remaining (70+/- 20)% are unrelaxed and are a much more diverse population.
Abstract: We present a comprehensive space-based study of ten X-ray luminous galaxy clusters (L_X>=8e44erg/s[0.1-2.4keV]) at z=0.2. Hubble Space Telescope observations reveal numerous gravitationally-lensed arcs for which we present four new spectroscopic redshifts, bringing the total to thirteen confirmed arcs in this cluster sample. We combine the multiple-image systems with the weakly-sheared background galaxies to model the total mass distribution in the cluster cores (R<=500kpc). These models are complemented by high-resolution X-ray data from Chandra and used to develop quantitative criteria to classify the clusters as relaxed or unrelaxed. Formally, (30+/-20)% of the clusters form a homogeneous sub-sample of relaxed clusters; the remaining (70+/-20)% are unrelaxed and are a much more diverse population. Most of the clusters therefore appear to be experiencing a cluster-cluster merger, or relaxing after such an event. We also study the normalization and scatter of scaling relations between cluster mass, luminosity and temperature. The scatter in these relations is dominated by the unrelaxed clusters and is typically sigma~0.4. Most notably, we detect 2-3 times more scatter in the mass-temperature relation than theoretical simulations and models predict. The observed scatter is also asymmetric - the unrelaxed systems are systematically 40% hotter than the relaxed clusters at 2.5 sigma significance. This structural segregation should be a major concern for experiments designed to constrain cosmological parameters using galaxy clusters. Overall our results are consistent with a scenario of cluster-cluster merger induced boosts to cluster X-ray luminosities and temperatures. [Abridged]

Journal ArticleDOI
TL;DR: In this article, a simple analytical description of the disruption of star clusters in a tidal field is presented, which agrees excellently with detailed N-body simulations, which can be used to predict the mass and age histograms of surviving clusters for any cluster initial mass function and any cluster formation history.
Abstract: We present a simple analytical description of the disruption of star clusters in a tidal field, which agrees excellently with detailed N-body simulations. The analytic expression can be used to predict the mass and age histograms of surviving clusters for any cluster initial mass function and any cluster formation history. The method is applied to open clusters in the solar neighbourhood, based on the new cluster sample of Kharchenko et al. From a comparison between the observed and predicted age distributions in the age range between 10 Myr to 3 Gyr we find the following results: (1) The disruption time of a 10^4 M_sun cluster in the solar neighbourhood is about 1.3+/-0.5 Gyr. This is a factor 5 shorter than derived from N-body simulations of clusters in the tidal field of the galaxy. (2) The present starformation rate in bound clusters within 600 pc from the Sun is 5.9+/-0.8 * 10^2 M_sun / Myr, which corresponds to a surface star formation rate in bound clusters of 5.2+/-0.7 10^(-10) M_sun/yr/pc^2. (3) The age distribution of open clusters shows a bump between 0.26 and 0.6 Gyr when the cluster formation rate was 2.5 times higher than before and after. (4) The present star formation rate in bound clusters is half as small as that derived from the study of embedded clusters. The difference suggests that half of the clusters in the solar neighbourhood become unbound within 10 Myr. (5) The most massive clusters within 600 pc had an initial mass of 3*10^4 M_sun. This is in agreement with the statistically expected value based on a cluster initial mass function with a slope of -2, even if the physical upper mass limit is as high as 10^6 M_sun.

Journal ArticleDOI
TL;DR: In this paper, the Stokes number is used to predict the particle radial distribution function (RDF) in a turbulent flow for particles with a small, but non-zero Stokes numbers.
Abstract: It has been recognized that particle inertia throws dense particles out of regions of high vorticity and leads to an accumulation of particles in the straining-flow regions of a turbulent flow field. However, recent direct numerical simulations (DNS) indicate that the tendency to cluster is evident even at particle separations smaller than the size of the smallest eddy. Indeed, the particle radial distribution function (RDF), an important measure of clustering, increases as an inverse power of the interparticle separation for separations much smaller than the Kolmogorov length scale. Motivated by this observation, we have developed an analytical theory to predict the RDF in a turbulent flow for particles with a small, but non-zero Stokes number. Here, the Stokes number (. Predictions of the analytical theory are compared with two types of numerical simulation: (i) particle pairs interacting in a local linear flow whose velocity varies according to a stochastic velocity gradient model; (ii) particles interacting in a flow field obtained from DNS of isotropic turbulence. The agreement with both types of simulation is very good. The theory also predicts the RDF for unlike particle pairs (particle pairs with different Stokes numbers). In this case, a second diffusion process occurs owing to the difference in the response of the pair to local fluid accelerations. The acceleration diffusivity is independent of the pair separation distance; thus, the RDF of particles with even slightly different viscous relaxation times undergoes a transition from the power law behaviour at large separations to a constant value at sufficiently small separations. The radial separation corresponding to the transition between these two behaviours is predicted to be proportional to the difference between the Stokes numbers of the two particles. Once again, the agreement between the theory and simulations is found to be very good. Clustering of particles enhances their rate of coagulation or coalescence. The theory and linear flow simulations are used to obtain predictions for the rate of coagulation of particles in the absence of hydrodynamic and colloidal particle interactions.

Journal ArticleDOI
TL;DR: Deep Chandra observations of the Hydra A cluster reveal a feature in the X-ray surface brightness that surrounds the 330 MHz radio lobes of the AGN at the cluster center, and its strength varies along the front, with Mach numbers in the range 1.2-1.4 as mentioned in this paper.
Abstract: Deep Chandra observations of the Hydra A Cluster reveal a feature in the X-ray surface brightness that surrounds the 330 MHz radio lobes of the AGN at the cluster center. Surface brightness profiles of this feature and its close association with the radio lobes argue strongly that it is a shock front driven by the expanding radio lobes. The Chandra image also reveals other new structure on smaller scales that is associated with the radio source, including a large cavity and filament. The shock front extends 200-300 kpc from the AGN at the cluster center, and its strength varies along the front, with Mach numbers in the range ~1.2-1.4. It is stronger where it is more distant from the cluster center, as expected for a shock driven by expanding radio lobes. Simple modeling gives an age for the shock front of ~1.4 × 108 yr and a total energy driving it of ~1061 ergs. The mean mechanical power driving the shock is comparable to quasar luminosities, well in excess of that needed to regulate the cooling core in Hydra A. This suggests that the feedback regulating cooling cores is inefficient, in that the bulk of the energy is deposited beyond the cooling core. In that case, a significant part of cluster "preheating" is a by-product of the regulation of cooling cores.

Journal ArticleDOI
TL;DR: Tetranuclear [Mn( III)2Ln(III)2)2] complexes formed using tripodal ligands display frequency dependent out-of-phase ac susceptibility signals and temperature and sweep rate dependent hysteresis loops.

Journal ArticleDOI
TL;DR: In this article, a method to constrain the intrinsic shapes of galaxy clusters by combining X-ray and SunyaevZel'dovich observations is discussed, and a large majority of the clusters in our sample exhibit a marked triaxial structure; the spherical hypothesis is strongly rejected for most sample members.
Abstract: We discuss a method to constrain the intrinsic shapes of galaxy clusters by combining X-ray and SunyaevZel’dovich observations. The method is applied to a sample of 25 X-ray–selected clusters, with measured SunyaevZel’dovich temperature decrements. The sample turns out to be slightly biased, with strongly elongated clusters preferentially aligned along the line of sight. This result demonstrates that X-ray–selected cluster samples may be affected by morphological and orientation effects, even if a relatively high threshold signal-to-noise ratio is used to select the sample. A large majority of the clusters in our sample exhibit a marked triaxial structure; the spherical hypothesis is strongly rejected for most sample members. Cooling-flow clusters do not show preferentially regular morphologies. We also show that identification of multiple gravitationally lensed images, together with measurementsoftheSunyaev-Zel’dovicheffectandX-raysurfacebrightness,canprovideasimultaneousdeterminationofthe three-dimensional structure of a cluster, of the Hubble constant, and of the cosmological energy density parameters. Subject headingg cosmic microwave background — cosmology: observations — distance scale — galaxies: clusters: general — gravitational lensing — X-rays: galaxies: clusters

Journal ArticleDOI
TL;DR: In this article, the authors developed a statistical magneto-turbulent model which describes in a selfconsistent way the evolution of the thermal ICM and that of the non-thermal emission from clusters making use of the extended Press-Schechter formalism.
Abstract: There is now firm evidence that the intracluster medium (ICM) consists of a mixture of hot plasma, magnetic fields and relativistic particles The most important evidence for non-thermal phenomena in galaxy clusters comes from the spectacular synchrotron radio emission diffused over Mpc scales observed in a growing number of massive clusters and, more recently, in the hard X-ray tails detected in a few cases in excess of the thermal bremsstrahlung spectrum A promising possibility to explain giant radio haloes is given by the presence of relativistic electrons reaccelerated by some kind of turbulence generated in the cluster volume during merger events With the aim of investigating the connection between thermal and non-thermal properties of the ICM, in this paper we develop a statistical magneto-turbulent model which describes in a self-consistent way the evolution of the thermal ICM and that of the non-thermal emission from clusters Making use of the extended Press-Schechter formalism, we follow cluster mergers and estimate the injection rate of the fluid turbulence generated during these energetic events We then calculate the evolution of the spectrum of the relativistic electrons in the ICM during the cluster life by taking into account both the electron acceleration due to the merger-driven turbulence and the relevant energy losses of the electrons We end up with a synthetic population of galaxy clusters for which the evolution of the ICM and of the non-thermal spectrum emitted by the accelerated electrons is calculated The generation of detectable non-thermal radio and hard X-ray emission in the simulated clusters is found to be possible during major merger events for reliable values of the model parameters In addition the occurrence of radio haloes as a function of the mass of the parent clusters is calculated and compared with observations In this case it is found that the model expectations are in good agreement with observations: radio haloes are found in about 30 per cent of the more massive clusters in our synthetic population (M ≥ 18 x 10 15 M ○ ) and in about 4 per cent of the intermediate massive clusters (9 x 10 14 < M < 18 × 10 15 M ○ ), while the radio halo phenomenon is found to be extremely rare in the case of the smaller clusters

Journal ArticleDOI
TL;DR: The cluster size dependence of superconductivity in the conventional two-dimensional Hubbard model, commonly believed to describe high-temperature superconductors, is systematically studied using the dynamical cluster approximation and quantum Monte Carlo simulations as a cluster solver.
Abstract: The cluster size dependence of superconductivity in the conventional two-dimensional Hubbard model, commonly believed to describe high-temperature superconductors, is systematically studied using the dynamical cluster approximation and quantum Monte Carlo simulations as a cluster solver. Because of the nonlocality of the $d$-wave superconducting order parameter, the results on small clusters show large size and geometry effects. In large enough clusters, the results are independent of the cluster size and display a finite temperature instability to $d$-wave superconductivity.

Journal ArticleDOI
TL;DR: In this article, the chemical reactivity of mass-selected small noble metal cluster ions in a temperature controlled radio frequency ion trap arrangement is investigated, in order to reveal the possible role of these small noble-metal cluster ions to act as gas-phase catalysts in the carbon monoxide combustion reaction.

Journal ArticleDOI
TL;DR: Molecular dynamics simulations show that gold clusters with about 600-3000 atoms crystallize into a Mackay icosahedron upon cooling from the liquid, and the average shape of the cluster is nearly spherical at melting.
Abstract: Molecular dynamics simulations show that gold clusters with about 600-3000 atoms crystallize into a Mackay icosahedron upon cooling from the liquid. A detailed surface analysis shows that the facets on the surface of the Mackay icosahedral gold clusters soften but do not premelt below the bulk melting temperature. This softening is found to be due to the increasing mobility of vertex and edge atoms with temperature, which leads to inter-layer and intra-layer diffusion, and a shrinkage of the average facet size, so that the average shape of the cluster is nearly spherical at melting.

Journal ArticleDOI
TL;DR: In this article, the authors present an analysis of stellar distributions for the young stellar clusters GGD 12-15, IRAS 20050+2720, and NGC 7129, which are all still associated with their natal molecular clouds.
Abstract: We present an analysis of stellar distributions for the young stellar clusters GGD 12-15, IRAS 20050+2720, and NGC 7129, which range in far-IR luminosity from 227 to 5:68 ; 10 3 Land are all still associated with their natal molecular clouds. The data used for this analysis include near-IR data obtained with FLAMINGOS on the MMTand newlyobtainedwide-field 850 � memissionmaps from SCUBA ontheJCMT.Clustersizeandazimuthal asymmetry are measured via azimuthal and radial averaging methods, respectively. To quantify the deviation of the distribution of stars from circular symmetry, we define an azimuthal asymmetry parameter, and we investigate the statistical properties of this parameter through Monte Carlo simulations. The distribution of young stars is compared to the morphology of the molecular gas using stellar surface density maps and the 850 � m maps. We find that two of the clusters are not azimuthally symmetric and show a high degree of structure. The GGD 12-15 cluster is elongated and is aligned with newly detected filamentary structure at 850 � m. IRAS 20050+2720 is composed of a chain of three subclusters, in agreement with Chen and coworkers, although our results show that two of the subclusters appear to overlap. Significant 850 � m emission is detected toward two of the subclusters but is not detected toward the central subcluster, suggesting that the dense gas may already be cleared there. In contrast to these two highly embedded subclusters, wefind an anticorrelation of the stars and dust in NGC 7129, indicating that much of the parental gas and dust has been dispersed. The NGC 7129 cluster exhibits a higher degree of azimuthal symmetry, a lower stellar sur- face density, and a larger size than the other two clusters, suggesting that the cluster may be dynamically expanding following the recent dispersal of natal molecular gas. These analyses are further evidence that embedded, forming clusters are often not spherically symmetric structures but can be elongated and clumpy and that these morphologies may reflect the initial structure of the dense molecular gas. Furthermore, this work suggests that gas expulsion by stellar feedback results in significant dynamical evolution within the first 3 Myr of cluster evolution. We estimate peak stellar volume densities and discuss the impact of these densities on the evolution of circumstellar disks and protostellar envelopes.

Journal ArticleDOI
TL;DR: In this article, the authors investigate empirical scaling relations between the thermal Sunyaev-Zeldovich effect (SZE) and cluster mass in simulated clusters of galaxies and show that the strength of the thermal SZE integrated over a significant fraction of the virialized region of the clusters is relatively insensitive to the detailed heating and cooling processes in the cores of clusters.
Abstract: We investigate empirical scaling relations between the thermal Sunyaev-Zeldovich effect (SZE) and cluster mass in simulated clusters of galaxies. The simulated clusters have been compiled from four different samples that differ only in their assumed baryonic physics. We show that the strength of the thermal SZE integrated over a significant fraction of the virialized region of the clusters is relatively insensitive to the detailed heating and cooling processes in the cores of clusters, by demonstrating that the derived scaling relations are nearly identical among the four cluster samples considered. For our synthetic images, the central Comptonization parameter shows significant boosting during transient merging events, but the integrated SZE appears to be relatively insensitive to these events. Most importantly, the integrated SZE closely tracks the underlying cluster mass. Observations through the thermal SZE allow a strikingly accurate mass estimation from relatively simple measurements that do not require either parametric modeling or geometric deprojection and thus avoid assumptions regarding the physics of the intracluster medium or the symmetry of the cluster. This result offers significant promise for precision cosmology using clusters of galaxies.

Journal ArticleDOI
TL;DR: In this article, the authors present the first hydrodynamic calculations of star cluster formation that incorporate the effect of feedback from ionizing radiation, showing that the ionizing source forms in the cluster core at the intersection of several dense filaments of inflowing gas.
Abstract: We present the first ever hydrodynamic calculations of star cluster formation that incorporate the effect of feedback from ionizing radiation. In our simulations, the ionizing source forms in the cluster core at the intersection of several dense filaments of inflowing gas. We show that these filaments collimate ionized outflows and suggest such an environmental origin for at least some observed outflows in regions of massive star formation. Our simulations show both positive feedback (i.e. promotion of star formation in neutral gas compressed by expanding H ii regions) and negative feedback (i.e. suppression of the accretion flow in to the central regions). We show that the volume filling factor of ionized gas is very different in our simulations from the result from the case where the central source interacted with an azimuthally smoothed gas density distribution. As expected, gas density is the key parameter in determining whether or not clusters are unbound by photoionizing radiation. Nevertheless, we find – on account of the acceleration of a small fraction of the gas to high velocities in the outflows – that the deposition in the gas of an energy that exceeds the binding energy of the cluster is not a sufficient criterion for unbinding the bulk of the cluster mass.

Journal ArticleDOI
TL;DR: In this paper, the authors present a simple formula giving both the normalization and slope for the power-law entropy profiles of clusters that form in the absence of non-gravitational processes such as radiative cooling and subsequent feedback.
Abstract: The radial entropy profile of the hot gas in clusters of galaxies tends to follow a power law in radius outside of the cluster core. Here we present a simple formula giving both the normalization and slope for the power-law entropy profiles of clusters that form in the absence of non-gravitational processes such as radiative cooling and subsequent feedback. It is based on seventy-one clusters drawn from four separate cosmological simulations, two using smoothed-particle hydrodynamics (SPH) and two using adaptive-mesh refinement (AMR), and can be used as a baseline for assessing the impact of non-gravitational processes on the intracluster medium outside of cluster cores. All the simulations produce clusters with self-similar structure in which the normalization of the entropy profile scales linearly with cluster temperature, and these profiles are in excellent agreement outside of 0.2 r_200. Because the observed entropy profiles of clusters do not scale linearly with temperature, our models confirm that non-gravitational processes are necessary to break the self-similarity seen in the simulations. However, the core entropy levels found by the two codes used here significantly differ, with the AMR code producing nearly twice as much entropy at the centre of a cluster.

Journal ArticleDOI
TL;DR: Ab initio calculations show that already the bare nanotube cluster system displays some specificity, which provides a "proof-of-principle" for the development of novel, high-specificity molecular sensors.
Abstract: Novel carbon nanotube-metal cluster structures are proposed as prototype systems for molecular recognition at the nanoscale. Ab initio calculations show that already the bare nanotube cluster system displays some specificity because the adsorption of ammonia on a carbon nanotube-Al cluster system is easily detected electrically, while diborane adsorption does not provide an electrical signature. Since there are well-established procedures for attaching molecular receptors to metal clusters, these results provide a "proof-of-principle" for the development of novel, high-specificity molecular sensors.

Journal ArticleDOI
TL;DR: In this paper, the inner region of a massive cluster forming in a cosmological CDM simulation with a mass resolution of 2 × 10 6 M⊙ and before z = 4.4 even 3 × 10 5 M ⊙ was resolved.
Abstract: We resolve the inner region of a massive cluster forming in a cosmologicalCDM simulation with a mass resolution of 2 × 10 6 M⊙ and before z=4.4 even 3 × 10 5 M⊙. This is a billion times less than the clusters final virial mass and a substantial increase over currentCDM simulations. We achieve this resolution using a new multi-mass refinement procedure and are now able to probe a dark matter halo density profile down to 0.1 percent of the virial radius. The inner density profile of this cluster halo is well fitted by a power-law ρ / r − down to the smallest resolved scale. An inner region with roughly constant logarithmic slope is now resolved, which suggests that cuspy profiles describe the inner profile better than recently proposed profiles with a core. The cluster studied here is one out of a sample of six high resolution cluster simulations of Diemand et al. (2004b) and its inner slope of about γ = 1.2 lies close to the sample average.

Journal ArticleDOI
TL;DR: The combination of stellar evolution and dynamical interactions (binary–single and binary–binary) leads to a rapid depletion of the binary population in the cluster core, suggesting that “realistic models” should incorporate much larger initial binary fractions.
Abstract: We study the evolution of binary stars in globular clusters using a new Monte Carlo approach combining a population synthesis code (StarTrack), and a simple treatment of dynamical interactions in the dense cluster core using a new tool for computing 3-body and 4-body interactions (Fewbody). We find that the combination of stellar evolution and dynamical interactions (binary–single and binary–binary) leads to a rapid depletion of the binary population in the cluster core. The maximum binary fraction today in the core of a typical dense cluster like 47 Tuc, assuming an initial binary fraction of 100%, is only about 5–10%. We show that this is in good agreement with recent HST observations of close binaries in the core of 47 Tuc, provided that a realistic distribution of binary periods is used to interpret the results. Our findings also have important consequences for the dynamical modeling of globular clusters, suggesting that “realistic models” should incorporate much larger initial binary fractions than has usually been done in the past.

Journal ArticleDOI
TL;DR: In this paper, the first condensed phase is determined by the structure of the cluster in solution, which provides an alternative explanation of Ostwald's Rule, where the most soluble, metastable phases form before the stable phases.
Abstract: Aqueous clusters of FeS, ZnS and CuS constitute a major fraction of the dissolved metal load in anoxic oceanic, sedimentary, freshwater and deep ocean vent environments. Their ubiquity explains how metals are transported in anoxic environmental systems. Thermodynamic and kinetic considerations show that they have high stability in oxic aqueous environments, and are also a significant fraction of the total metal load in oxic river waters. Molecular modeling indicates that the clusters are very similar to the basic structural elements of the first condensed phase forming from aqueous solutions in the Fe–S, Zn–S and Cu–S systems. The structure of the first condensed phase is determined by the structure of the cluster in solution. This provides an alternative explanation of Ostwald’s Rule, where the most soluble, metastable phases form before the stable phases. For example, in the case of FeS, we showed that the first condensed phase is nanoparticulate, metastable mackinawite with a particle size of 2 nm consisting of about 150 FeS subunits, representing the end of a continuum between aqueous FeS clusters and condensed material. These metal sulfide clusters and nanoparticles are significant in biogeochemistry. Metal sulfide clusters reduce sulfide and metal toxicity and help drive ecology. FeS cluster formation drives vent ecology and AgS cluster formation detoxifies Ag in Daphnia magna neonates. We also note a new reaction between FeS and DNA and discuss the potential role of FeS clusters in denaturing DNA.