The density functional calculation with the generalized gradient approximation is applied to study the structural, properties of AlnGan clusters up to n=12. At the same time the frequency was performed when the structure optimization in order to assure the calculated-ground states were real low-lying. The nearest-neighbor distance, total energy, electron affinities and HOMO-LUMO gap were presen...

We study the influence of short range antiferromagnetic correlations between local f -electrons on the transport and thermodynamic properties of Kondo insulators. We use a Kondo lattice model with an additional Heisenberg interaction between nearest neighboring f-moments, as first proposed by Coqblin et al.[1] for metallic heavy fermions. The inter-site magnetic correlations produce an effectiv...

The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagon...

Aqueous solubilities of polychlorinated biphenyls have been correlated with topologicalmolecular descriptors which are functions of local and global invariants of labeled hydrogenfilled graphs. Morgan extended connectivity and nearest neighboring codes have been usedas local graph invariants. The number of chlorine atoms in biphenyls has been employedas a global graph invariant....

Clusters are recognized when meningococcal cases of the same phenotypic strain (markers: serogroup, serotype, and subtype) occur in spatial and temporal proximity. The incidence of such clusters was compared to the incidence that would be expected by chance by using space-time nearest-neighbor analysis of 4,887 confirmed invasive meningococcal cases identified in the 9-year surveillance period ...

In human 20S proteasomes two copies of each of seven different alpha-type and seven different beta-type subunits are assembled to form a stack of four seven-membered rings, giving the general structure alpha(1-7), beta(1-7), beta(1-7), alpha(1-7). By means of immunoelectron microscopy and chemical crosslinking of neighboring subunits, we have determined the positions of the individual subunits ...

We examine two-spin (2S) and cyclic four-spin (4S) magnetic interactions in insulating ladder and two-dimensional (2D) cuprates. By a comparison of eigenstates between d-p and Heisenberg models, we evaluate magnitudes of these interactions. We find that the 4S interaction is ∼10 % of nearest neighboring 2S interaction, and a diagonal 2S interaction is considerably small. The 4S interaction for ...

Fig 2. Divergence curves. A 5-dimensional attractor was built through the delay-embedding theorem from the trunk acceleration signal. Divergence between neighboring trajectories in the attractor is shown. For each noise type, 109 curves from 69 individuals were aggregated. Original stride intervals were changed to four different noise structures (hybrid signals). Xaxis = time i normalized by st...

Random eld models in image analysis and spatial statistics usually have local interactions. They can be simulated by Markov chains which update a single site at a time. The updating rules typically condition on only a few neighboring sites. If we want to approximate the expectation of a bounded function, can we make better use of the simulations than through the empirical estimator? We describe...

We investigate next-nearest-neighbor correlations of the contact number in simulations of polydisperse, frictionless packings in two dimensions. We find that disks with few contacting neighbors are predominantly in contact with disks that have many neighbors and vice versa at all packing fractions. This counterintuitive result can be explained by drawing a direct analogy to the Aboav-Weaire law...