Effects of charge on the structures and spin moments of Nil3 cluster

The structural stability and magnetic properties of the icosahedral Ni13, Ni13^＋1 and Ni13^-1 clusters have been obtained by utilizing all-electron density functional theory with the generalized gradient approximations for the exchange-correlation energy. The calculated results show that the ground states of neutral and charged clusters all favour a D3d structure, a distorted icosahedron, due to the Jahn-Teller effect. The radial distortions caused by doping one electron and by doping one hole are opposite to each other. Doping one electron will result in a 1/2 decrease and doping one hole will result in a 1/2 increase of the total spin. Both increasing interatomic spacing and decreasing coordination will lead to an enhancement of the spin magnetic moments for Nil3 clusters.     

Homography of central points for optical distortion compensation

The paper presents a novel radial lens distortion modelling method for vision systems. It is based on single images of chessboard planar pattern, in which calibration points (corners of chessboard squares) are localised. The points, which are situated near the image centre, where the distortion is negligible, are used to determine undistorted grid of calibration points by the estimation of homographic matrix. The differences in the localisation of undistorted and distorted points are used to find parameters of radial model by the linear least square method. Having the distortion model, the dense compensation is performed with support of bilinear interpolation and a sparse compensation by Newton iterative scheme providing subpixel accuracy.     

Systematic remarks on objectivity and frame-indifference,liquid crystal theory as an example

In this paper objectivity and material frame-indifference are systematically discussed, because changing the observer and changing the motion of a material with respect to an observer independent standard frame of reference have to be distinguished carefully. Objectivity and observer invariance of the physical laws and of the constitutive mappings are introduced. Semi-objectivity and objectivity of different time derivative operators are investigated. As examples, changing the observer in liquid crystal theory and changing the motion in linear heat conducting materials is considered.     

Finite-size scaling corrections for the eight-vertex model

Finite-size scaling corrections are calculated analytically for two of the maximal eigenvalues of the transfer matrix in the isotropic eight-vertex model. The valuec=1 for the conformal anomaly of the Virasoro algebra is confirmed.     

Rotational invariance in the three-dimensional lattice Boltzmann method is dependent on the choice of lattice

The lattice Boltzmann method has recently gained popularity as a tool for simulating complex fluid flows. It uses discrete sets of velocity vectors, or lattices, to create a reduced model of the molecular dynamics of a continuum fluid. While several lattices are believed to behave isotropically, there are reports of qualitatively incorrect results. However, thus far, the reason as to why a lack of isotropy occurs is not known. Based on the hypothesis that lower order lattices may not display rotational invariance, this study tests the isotropy of the D3Q15, D3Q19 and D3Q27 lattices by performing simulations at intermediate Reynolds numbers (50–500) and low Knudsen number (<0.0005) in an axisymmetrical geometry with a nozzle leading to a throat followed by a sudden expansion. The symmetry properties of the results were examined. It was found that at Re ? 250 the D3Q15 and D3Q19 lattices produced different results depending on the plane of the lattice with which the flow was aligned. Lattice planes with fewer than six velocity vectors consistently produced results which were qualitatively different from the planes with six or more velocity vectors. These errors were not observed at Re = 50 or when a D3Q27 lattice was used. They appeared to be independent of grid density, collision operator and Ma. This suggests that the lattices which contain these planes are not fully isotropic and therefore do not properly replicate the behavior of a real fluid in this particular situation, notably downstream from the expansion. Predictions made using these models in more complex geometries may therefore be affected by the orientation of the lattice. When using LBM in CFD simulation (including validation) this study highlights the need for caution to ensure that the solution obtained is independent of the lattice orientation throughout the domain.     

Effect of β-Nucleating Agent on the Crystallization,Mechanical Properties,and Heat Resistance of Injection-Molded Isotactic Polypropylene

Injection-molded β-isotactic polypropylene (β-iPP) was prepared with a commercial β-nucleating agent (NT-A). The effect of NT-A on the crystallization, mechanical properties, and heat resistance of β-iPP was investigated by differential scanning calorimetry (DSC), wide-angle X-ray diffraction (WAXD), polarized light microscopy (PLM), and mechanical and heat deflection tests. DSC and WAXD analysis showed that the content of β-crystals in the nucleated iPP was higher than that of pure iPP, and the content of β-crystals of the core was higher than that of the skin. PLM observations showed that injection-molded iPP had an obvious skin-core structure. NT-A induced abundant β-crystals and resulted in small spherulites which improved the Izod notched impact strength. When the content of NT-A was 0.075wt%, the Izod notched impact strength reached a maximum, 2.6 times more than that of pure iPP. The heat distortion temperature was also improved by NT-A.     

确定聚类数目的一个准则

Aiming to provide an appropriate number K of clusters, in this paper, we propose a new criterion function - H criterion function, whose three properties have also been proved. We validate the performance of the H criterion function on one artificial dataset and three real-world datasets, and the results are almostly consistent with a previous method. The nonparametric criterion we proposed is intuitive, simple and the computational cost is acceptable.     

Critical exponents of Manhattan Hamiltonian walks in two dimensions,from Potts andO(n) models

We consider a set of Hamiltonian circuits filling a Manhattan lattice, i.e., a square lattice with alternating traffic regulation. We show that the generating function (with fugacityz) of this set is identical to the critical partition function of aq-state Potts model on an unoriented square lattice withq ^1/2 =z. The set of critical exponents governing correlations of Hamiltonian circuits is derived using a Coulomb gas technique. These exponents are also found to be those of an O(n) vector model in the low-temperature phase withn =q ^1/2 =z. The critical exponents in the limitz = 0 are then those of spanning trees (q= 0) and of dense polymers (n=0,T < T_c), corresponding to a conformal theory with central chargeC = –2. This shows that the Manhattan orientation and the Hamiltonian constraint of filling all the lattice are irrelevant for the infrared critical properties of Hamiltonian walks.