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At least 19 records

Charging and hybridization in the finite cluster model

Cluster wavefunctions which have appropriate hybridization and polarization lead to reasonable properties for the interaction of an adsorbate with a solid surface. However, for Al clusters, it was found that the atomic change distribution is not uniform. The finite cluster size leads to changes not representative for an extended system. This effect appears to be dependent on the particular materials being studied; it does not occur in all cases.

Bauschlicher, C. W., Jr.

On the convergence of the cluster model for O/Ni(100)

Chemisorption of oxygen onto the Ni(100) surface is modeled using a three-layer Ni41 cluster. The convergence of the cluster model is considered by comparing the results of the Ni41 cluster to the previously studied two-layer Ni25 model for O/Ni(100). The O vibrational frequency is only slightly changed by the addition of the third layer, while the height of the O above the surface is reduced by 0.11 A, increasing the disagreement with experiment. The O binding energy is reduced to less than half that for the Ni25 cluster.

Bauschlicher, Charles W., Jr.

An algebraic cluster model based on the harmonic oscillator basis

We discuss the semimicroscopic algebraic cluster model introduced recently, in which the internal structure of the nuclear clusters is described by the harmonic oscillator shell model, while their relative motion is accounted for by the Vibron model. The algebraic formulation of the model makes extensive use of techniques associated with harmonic oscillators and their symmetry group, SU(3). The model is applied to some cluster systems and is found to reproduce important characteristics of nuclei in the sd-shell region. An approximate SU(3) dynamical symmetry is also found to hold for the C-12 + C-12 system.

Levai, Geza

On the luminosity of black hole cluster model of active galactic nuclei

The luminosity of a nuclear cluster of accreting black holes and other objects is discussed in terms of two accretion regimes: external supply of gas from outside the cluster and internal supply resulting from tidal disruption and capture of stars within the cluster. The external supply regime results in radiation being emitted from the innermost parts of the cluster while internal supply can efficiently feed the holes in the outer parts of the cluster as long as it is not too compact cluster and is embedded in a distribution of stars with a density larger than 10 exp 7 solar masses/cu pc.

Stoeger, W. R.

A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption

The interaction of CO with Cu5, Ni5, and Al4 are treated as model systems for molecular adsorption on metal surfaces. The effect of the use of pseudopotentials for the metal atoms is studied by considering three types of clusters. In the first case, all of the metal electrons are explicitly included in the wave function; an all electron (AE) treatment. In the second case, the metal atom which directly interacts with the CO is described by AE but the remaining metal atoms include a pseudopotential for their core electrons. Finally, in the third case, all of the metal atoms in the cluster have a pseudopotential treatment for the core electrons. The AE cluster results are taken as reference values for the two pseudopotential treatments. The mixed cluster results are in excellent agreement with those of the all AE clusters; however, the results for the all pseudopotential cluster of Ni5CO or of Cu5CO are qualitatively different. The pseudopotential treatment for all of the metal atoms often leads to results that contain serious errors and it is not a reliable approach.

Bagus, P. S.

Cluster growth modeling of plateau erosion

The pattern of erosion of a plateau along an escarpment may be modeled usng cluster growth techniques, recently popularized in models of drainage network evolution. If erosion on the scarp takes place in discrete events at rates subject to local substrate strength, the whole range of behavior is described by a combination of three cluster growth mechanisms: invasion percolation, Eden growth and diffusion-limited aggregation (DLA). These model the relative importance of preexisting substrate strength, background weathering, and seepage weathering and erosion respectively. The rate of seepage processes is determined by the efflux of groundwater at the plateau margin, which in turn is determined by the pressure field in the plateau aquifer. If this process acted alone, it would produce erosion patterns in the form of Laplacian fractals, with groundwater recharge from a distant source, or Poissionian fractals, with groundwater recharge uniform over the plateau. DLA is used to mimic the Laplacian or Poissonian potential field and the corresponding seepage growth process. The scaling structure of clusters grown by pure DLA, invasion percolation, or Eden growth is well known; this study presents a model which combines all three growth mechanisms for the first time. Mixed growth processes create clusters with different scaling properties and morphologies over distinct length scale ranges, and this is demonstrable in natural examples of plateau erosion.

Stark, Colin P.

Transport-related phenomena for clusters of drops

Calculations for n-decane drops evaporating in a spherical cluster surrounded by unvitiated ambient air at atmospheric pressure were performed using two previously proposed cluster models. Both cluster models predict that turbulent transport effects are more important in the case of small clusters. This is due to the smaller volume to surface ratio and thus to the greater transport of hot unvitiated gas to the drops in order to promote evaporation. The results obtained are compared with those of two turbulent models for each one of the 'trapping factors' and similarity models.

Bellan, J.

The settling of helium and the ages of globular clusters

Model low-mass globular-cluster stars were evolved with their helium allowed to diffuse under the influence of gravity, thermal diffusion, and concentration gradient. The evolution tended to speed up. Also, the turnoff point moved toward lower luminosity and slightly lower surface temperature. If the luminosity at turnoff is used as the sole criterion for determining the age of a globular cluster, the inferred ages of such clusters are reduced by about 22% from starting values in the vicinity of 15 billion years.

Noerdlinger, P. D.

Disruption of the Globular Cluster Pal 5

Orbit calculations suggest that the sparse globular cluster, Pal 5, will pass within 7 kpc of the Galactic center the next time it crosses the plane, where it might be destroyed by tidal stresses. We study this problem, treating Pal 5 as a self-consistent dynamical system orbiting through an external potential that represents the Galaxy. The first part of the problem is to find suitable analytic approximations to the Galactic potential. They must be valid in all regions the cluster is likely to explore. Observed velocity and positional data for Pal 5 are used as initial conditions to determine the orbit. Methods we used for a different problem some 12 years ago have been adapted to this problem. Three experiments have been run, with M/L= 1, 3, and 10, for the cluster model. The cluster blew up shortly after passing through the Galactic plane (about 130 Myrs after the beginning of the run) with M/L=1. At M/L = 3 and 10 the cluster survived, although it got quite a kick in the fundamental mode on passing through the plane. But the fundamental mode oscillation died out in a couple of oscillation cycles at M/L=10. Pal 5 will probably be destroyed on its next crossing of the Galactic plane if M/L=1, but it can survive (albeit with fairly heavy damage) if NI/L=3. We haven't tried to trap the mass limits more closely than that. Pal 5 comes through pretty well unscathed at M/L=10. An interesting follow-up experiment would be to back the cluster up along its orbit to look at its previous passage through the Galactic plane, to see what kind of object it might have been at earlier times.

Miller, R. H.

Space station ECLSS integration analysis: Simplified General Cluster Systems Model, ECLS System Assessment Program enhancements

The data base verification of the ECLS Systems Assessment Program (ESAP) was documented and changes made to enhance the flexibility of the water recovery subsystem simulations are given. All changes which were made to the data base values are described and the software enhancements performed. The refined model documented herein constitutes the submittal of the General Cluster Systems Model. A source listing of the current version of ESAP is provided in Appendix A.

Ferguson, R. E.

A final report on the extension of the MCSCF/CI method

For the period of July 1982 through January 1983, the research carried out focused on the nature of metal adsorbate bonding. Two main areas were investigated in detail: (1) the adsorption of CO on Al, Na, Mg and Ni; and (2) bonding in transition metal oxides, CuO, CrO and MoO. These theoretical studies have lead to a new understanding of CO-metal bonding as well as to a better understanding of the d involvement in the bonding in transition metal oxides. Four areas associated with cluster model studies are discussed in detail: hybridization and changing in cluster model studies, the adsorption of CO on metals (Al, Na, Mg), the adsorption of CO on Ni, and finally the use of effective core potentials (ECP) in cluster models.

Nelin, C. J.

Galaxy Cluster Shapes and Systematic Errors in the Hubble Constant as Determined by the Sunyaev-Zel'dovich Effect

Imaging of the Sunyaev-Zei'dovich (S-Z) effect in galaxy clusters combined with the cluster plasma x-ray diagnostics can measure the cosmic distance scale to high accuracy. However, projecting the inverse-Compton scattering and x-ray emission along the cluster line-of-sight will introduce systematic errors in the Hubble constant, H$-O$, because the true shape of the cluster is not known. This effect remains present for clusters that are otherwise chosen to avoid complications for the S-Z and x-ray analysis, such as plasma temperature variations, cluster substructure, or cluster dynamical evolution. In this paper we present a study of the systematic errors in the value of H$-0$, as determined by the x-ray and S-Z properties of a theoretical sample of triaxial isothermal 'beta-model' clusters, caused by projection effects and observer orientation relative to the model clusters' principal axes. The model clusters are not generated as ellipsoids of rotation, but have three independent 'core radii', as well as a random orientation to the plane of the sky.

Sulkanen, Martin E.

Evolving, dynamical models for collapsed-core globular clusters - M15 and NGC 6624

The stellar populations of the collapsed-core globular clusters M15 and NGC 6624 are investigated by fitting observed surface-brightness and projected velocity-dispersion profiles. The present evolving cluster models were generated by the direct Fokker-Planck method and incorporate realistic stellar mass spectra and energy input from binaries formed by three-body interactions. An evolved power-law mass function with nonluminous remnants of maximum mass 1.0-1.4 solar mass is adopted. M15 is found to be best fitted by postcollapse evolving models with a mass-function slope of x = 0.9 (where x = 1.35 corresponds to the Salpeter mass function) and a maximum remnant mass of 1.3 solar mass. Postcollapse core oscillations, driven by energy input from hard binaries, can produce sufficiently rapid core expansion to explain the resolution of the core of M15 by HST observations reported by Lauer et al. (1991).

Grabhorn, Robert P.