First-Principle Study of Electronic and Half-Metallic Ferromagnetic Properties of Vanadium (V)-Doped Cubic BP and InP

In this study, we use the first-principle calculations of density functional theory with gradient generalized approximation of Wu–Cohen to investigate the doping effect of vanadium impurity on structural, electronic and magnetic properties of In_1?x V _x P and B_1?x V _x P alloys at various concentrations x = 0.0625, 0.125 and 0.25. Owing to the metallic nature of majority spin and semiconducting minority spin, the In_1?x V _x P compounds exhibit a half-metallic character with total magnetic moments of 2 μ _B, while the B_1?x V _x P has metallic nature for all concentrations. The results of exchange parameters revealed that exchange coupling between vanadium atoms and the conduction band is ferromagnetic, confirming the magnetic feature of In_1?x V _x P and B_1?x V _x P. From our findings, we have predicted that the In_1?x V _x P alloys seem to be potential materials for spintronics.     

Self-calibration of stationary non-rotating zooming cameras

This paper proposes a new method for self-calibrating a set of stationary non-rotating zooming cameras. This is a realistic configuration, usually encountered in surveillance systems, in which each zooming camera is physically attached to a static structure (wall, ceiling, robot, or tripod). In particular, a linear, yet effective method to recover the affine structure of the observed scene from two or more such stationary zooming cameras is presented. The proposed method solely relies on point correspondences across images and no knowledge about the scene is required. Our method exploits the mostly translational displacement of the so-called principal plane of each zooming camera to estimate the location of the plane at infinity. The principal plane of a camera, at any given setting of its zoom, is encoded in its corresponding perspective projection matrix from which it can be easily extracted. As a displacement of the principal plane of a camera under the effect of zooming allows the identification of a pair of parallel planes, each zooming camera can be used to locate a line on the plane at infinity. Hence, two or more such zooming cameras in general positions allow the obtainment of an estimate of the plane at infinity making it possible, under the assumption of zero-skew and/or known aspect ratio, to linearly calculate the camera's parameters. Finally, the parameters of the camera and the coordinates of the plane at infinity are refined through a nonlinear least-squares optimization procedure. The results of our extensive experiments using both simulated and real data are also reported in this paper.     

Understanding the atomic force microscopy image of the V2O5 and Li0.03V2O5(0 0 1) surface using ab initio calculations

Single crystals of V₂O₅ and Li_0.03V₂O₅ were imaged in ambient conditions by atomic force microscopy (AFM). Atomic-scale resolution images are compared with total electron-density plots of the surface calculated using the ab initio HartreeFock method. The calculated oxygen charge at the V₂O₅(0 1 0) surface suggests an increased local reactivity of the bridging oxygens with respect to electrophilic attacks by adsorbate molecules. The intercalation of lithium has no consequence on the reactivity of the surface. This is supported by results from electrostatic potentials calculated from the cluster charge distributions.     

A new modeling procedure for circuit design and performance prediction of evaporator coils using CO2 as refrigerant

The replacement of environmentally damaging synthetic refrigerants due to their ODP or GWI potential by natural refrigerants such as CO₂ is now up in the research agenda. Moreover, current energy supply concerns make of efficiency another first priority issue to dictate new stringent design criteria for industrial and commercial equipment. Heat exchangers are the most important components in refrigeration systems where they are used as evaporators or condensers and their design and operation have a considerable impact on overall system performance. Hence, it is important to better understand their thermal and hydrodynamic behaviour in order to improve their design and operation. Numerical simulation represents a very efficient tool for achieving this objective. In this paper, a new modeling approach, accounting for the heat transfer the hydrodynamics of the problem and intended to predict the dynamic behaviour of a refrigeration coil under dry conditions is proposed. A related FORTRAN program was developed, allowing the study of a large range of complex refrigerant circuit configurations. The equations describing these aspects are strongly coupled, and their decoupling is reached by using an original method of resolution. Circuits may have several inlets, outlets, bifurcations and feed one or several other tubes inlets. The coil was subdivided into several elementary control volumes and its analysis provided detailed information in X, Y and Z directions. Validation was performed with data from a CO₂ secondary refrigeration loop test bench built in CanmetENERGY Laboratories. These data were predicted satisfactorily over the operating range corresponding to refrigeration applications. Exemplary simulations were then performed on an evaporator typically employed in supermarkets, showing the effect of circuiting on operation and performance. Even though circuiting is common practice in refrigeration this simulation shows that care must be exercised in making the selection. A two-circuit configuration was chosen for analysis in this investigation. In terms of capacity and heat transfer, it was shown that the two circuits were well balanced in terms of pressure drop and heat transfer capacity. Low CO₂ pressure drop resulted in reduced temperature glide as compared to a single circuit.     

First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe

We have investigated the electronic structure and half-metallic ferromagnetism in zinc blende phase of Be_1?x V _x M (M=S, Se, Te) at concentration x=0.125 by employing a first-principles calculations within the framework of density functional theory (DFT) based on the linearized augmented plane wave method (FP-LAPW), as implanted in the WIEN2k code with generalized gradient approximation functional proposed by Wu and Cohen (WC-GGA). The electronic properties exhibit half-metallic behavior. So the density of states shows the hybridization between the p (S, Se, Te) and 3d (V) states that creates the antibonding states in the gap, which stabilizes the ferromagnetic ground state associated with the double-exchange mechanism, whereas the spin polarized band structures depict half-metallic gap that increases from Be_0.875V_0.125S to Be_0.875V_0.125Se to Be_0.875V_0.125Te. These compounds are robust half-metallic ferromagnets with spin polarization of 100 % and predicted to be potential candidates for spin injection applications in spintronic devices. Therefore, our predictions require an experimental confirmation in the future.     

WiMAX 2009年第2季度生态环境

新技术往往会缺乏市场应用方面的硬性参考数据,不过,我们还是收集了一些关于4G的有趣的统计资料供读者借鉴,这其中最主要的是关于2009年第2季度WiMAX以及LTE主要运营商的一些趋势性分析。     

Microstructure and Nanoscale Piezoelectric/Ferroelectric Properties in La2Ti2O7 Thin Films Grown on (110)‐Oriented Doped Nb:SrTiO3 Substrates

(00l)‐Oriented La₂Ti₂O₇ (LTO) thin films with monoclinic perovskite‐layer structure [a = 7.806(2) Å, b = 5.552(3) Å, c = 13.015(5) Å, β = 98.62(2)°] have been grown by a sol–gel route on conducting (110)‐oriented doped Nb:SrTiO₃ (STO) substrates. The narrow rocking curves (0.24° width for 004_LTO peak) demonstrate the sharp mosaïcity of the films. Using high‐resolution X‐ray diffraction (HR‐XRD), epitaxial relationships between the LTO, and the STO substrate are given. In addition, HR‐XRD evidences the existence of (212)‐oriented crystallites 1.5° disoriented with respect to the plane of the substrate. We confirm, by DFT calculations, that the polarization vector lies in the b‐axis of the LTO cell and consequently, the existence of these (212)‐oriented crystallites enables to explain the origin of the various contrasts observed both on the in‐plane and out‐of‐plane images when collected by piezoresponse force microscopy. Finally, both successful poling experiments performed via the tip of atomic force microscope and the existence of local piezoloops within the domains, unambiguously confirm the ferroelectric state of the films at the nanoscale level. Once again, this study demonstrates that a clear understanding of nanoscale piezoelectric/ferroelectric phenomena in oriented thin films passes through a carefully structural analysis as performed by HR‐XRD.     

Biphasic Aqueous Organometallic Catalysis Promoted by Cyclodextrins: How to Design the Water‐Soluble Phenylphosphane to Avoid Interaction with Cyclodextrin

The ability of cyclodextrin to interact with meta‐trisulfonated triphenylphosphane derivatives bearing one or two methyl (or methoxy) groups on the aromatic ring has been investigated by NMR and UV‐vis spectroscopy. In the case of native β‐cyclodextrin (β‐CD), the presence of one methyl or methoxy group in the ortho‐position on each aromatic ring is necessary to hamper the formation of an inclusion complex between the β‐CD and meta‐trisulfonated triphenylphosphane derivatives. In the case of methylated β‐CD, the formation of an inclusion complex is only observed when the meta‐trisulfonated triphenylphosphane contains a methyl group in the para‐position. The poor affinity of methylated β‐CD towards modified trisulfonated triphenylphosphanes was attributed to the steric hindrance generated by the methyl groups on the CD secondary face. The absence or presence of an interaction between phosphanes and methylated β‐CD was also confirmed by catalytic experiments. Thus, the phosphanes that do not interact with the methylated CD were the most efficient mass‐transfer promoters in an aqueous biphasic palladium‐catalyzed Tsuji–Trost reaction.