Evolution of the electronic structure of Be clusters

Using a modified symbiotic genetic algorithm approach and many-body interatomic potential derived from first principles, we have calculated equilibrium geometries and binding energies of the ground-state and low-lying isomers of Be clusters containing up to 41 atoms. Molecular-dynamics study was also carried out to study the frequency of occurrence of the various geometrical isomers as these clusters are annealed during the simulation process. For a selected group of these clusters, higher-energy isomers were more often found than their ground-statestructures due to large catchment areas. The accuracy of the above ground-stategeometries and their corresponding binding energies were verified by carrying out separate ab initio calculations based on molecular-orbital approach and density-functional theory with generalized gradient approximation for exchange and correlation. The atomic orbitals were represented by a Gaussian 6-311G** basis, and the geometry optimization was carried out using the GAUSSIAN 98 code without any symmetry constraint. While the ground-stategeometries and their corresponding binding energies obtained from ab initio calculations do not differ much from those obtained using the molecular-dynamics approach, the relative stability of the clusters and the energy gap between the highest occupied and the lowest unoccupied molecular orbitals show significant differences. The energy gaps, calculated using the density-functional theory, show distinct shell closure effects, namely, sharp drops in their values for Be clusters containing 2, 8, 20, 34, and 40 electrons. While these features may suggest that small Be clusters behave free-electron-like and, hence, are metallic, the evolution of the structure, binding energies, coordination numbers, and nearest-neighbor distances do not show any sign of convergence towards the bulk value. We also conclude that molecular-dynamics simulation based on many-body interatomic potentials may not always give the correct picture of the evolution of the structure and energetics of clusters although they may serve as a useful tool for obtaining starting geometries by efficiently searching a large part of the phase space

Mesoscale magnetism at the grain boundaries in colossal magnetoresistive films

We report the discovery of mesoscale regions with distinctive magnetic properties in epitaxial La$_{1-x}$Sr$_{x}$MnO$_{3}$ films which exhibit tunneling-like magnetoresistance across grain boundaries. By using temperature-dependent magnetic force microscopy we observe that the mesoscale regions are formed near the grain boundaries and have a different Curie temperature (up to 20 K {\it higher}) than the grain interiors. Our images provide direct evidence for previous speculations that the grain boundaries in thin films are not magnetically and electronically sharp interfaces. The size of the mesoscale regions varies with temperature and nature of the underlying defect.Comment: 4 pages of text, 4 figure

Large Area Roller Embossing of Multilayered Ceramic Green Composites

In this paper, we will report our achievements in developing large area patterning of multilayered ceramic green composites using roller embossing. The aim of our research is to pattern large area ceramic green composites using a modified roller laminating apparatus, which is compatible with screen printing machines, for integration of embossing and screen printing. The instrumentation of our roller embossing apparatus, as shown in Figure1, consists of roller 1 and rollers 2. Roller 1 is heated up to the desired embossing temperature ; roller 2 is, however, kept at room temperature. The mould is a nickel template manufactured by plating nickel-based micro patterns (height : 50 $\mu$m) on a nickel film (thickness : 70 $\mu$m) ; the substrate for the roller embossing is a multilayered Heraeus Heralock HL 2000 ceramic green composite. Comparing with the conventional simultaneous embossing, the advantages of roller embossing include : (1) low embossing force ; (2) easiness of demoulding ; (3) localized area in contact with heater ; and etc. We have demonstrated the capability of large area roller embossing with a panel size of 150mmx 150mm on the mentioned substrate. We have explored and confirmed the impact of parameters (feed speed, temperature of roller and applied pressure) to the pattern quality of roller embossing. Furthermore, under the optimized process parameters, we characterized the variations of pattern dimension over the panel area, and calculated a scaling factor in order to make the panel compatible with other processes. Figure 2 shows the embossed patterns on a 150mmx 150mm green ceramic panel.Comment: Submitted on behalf of EDA Publishing Association (http://irevues.inist.fr/handle/2042/16838

Topological dilaton black holes

In four-dimensional spacetime, when the two-sphere of black hole event horizons is replaced by a two-dimensional hypersurface with zero or negative constant curvature, the black hole is referred to as a topological black hole. In this paper we present some exact topological black hole solutions in the Einstein-Maxwell-dilaton theory with a Liouville-type dilaton potential.Comment: 8 pages, Revtex, no figure