The electronic structure of stoichiometric hydrides of the group Vb metals (V, Nb, Ta) has been investigated by means of the self-consistent full potential scalar-relativistic augmented plane wave method (FP-APW).
The theoretical study of the heat of solution of the ordered monohydrides VH, NbH, and TaH leads to good agreement with experimental values and allows the prediction of the preferred coordination of the hydrogen atoms in these phases, i.e. the octahedral coordination for the VH-system and the tetrahedral coordination for NbH and TaH. Analysis of the charge distribution according to the irreducible representations of the point groups yields a simple orbital picture of the bonding mechanism in the stoichiometric hydride phase. The use of an angular-dependent rather than a spherical-symmetric potential results in a distinct increase in the calculated covalent contribution to the chemical bond. 相似文献
The aim of the present study was to assess stall occupancy of Nili Ravi buffaloes when first introduced to freestall housing. Thirty Nili Ravi buffaloes of different parity, weight, and pregnancy status were enrolled from the dairy farm of the University of Veterinary and Animal Sciences, Lahore, Pakistan. All of the enrolled animals had no previous experience with freestalls. The selected buffaloes were introduced to the freestall shed. During an adaptation period of 7 d, all buffaloes had 24 h of free access to lie down in 1 of 3 areas: (1) freestalls, (2) alleys, and (3) an outside open area. After the adaptation period, all buffaloes were housed indoors during nighttime (restricted period) to ensure that only freestalls or alleys were available as lying areas. An observer monitored animals at 0100 h and recorded the number of animals lying in freestalls, in alleys, and in the outside open area. The results indicated that during the adaptation period, herd-level freestall occupancy in buffaloes remained below 10%. During the restricted period, herd-level stall occupancy was 0, 13, 50, and 90% on d 1, 2, 5, and 17, respectively. Buffaloes with parity ≥3 took fewer days (6.6 ± 1.0; mean ± standard error of the mean) to occupy stalls than buffaloes with parity 2, 1, and heifers (13.2 ± 1.5, 16.7 ± 2.1, and 13.5 ± 2.1 d, respectively). Body weight and pregnancy status of buffaloes did not have any effect on stall occupancy. Buffaloes showed adjacent stall occupancy, filling opposite stalls first. The results indicated that older buffaloes occupied freestalls earlier than younger buffaloes. Our findings would help better manage buffaloes in freestall housing. 相似文献
The automotive industry is a promising area for innovations in the field of polymer optical fiber (POF) sensors as the industry currently uses the POF mostly for data transmissions. Since an optical fiber sensor has a high bandwidth, is small in size, is lightweight, and is immune to electromagnetic interference, it offers higher performance than that of its electrical-based counterparts such as the strain gage, elastomeric bladder, and resistive sensor systems. This enhanced performance makes an optical fiber sensor a suitable material for sensing seat occupancy for improved safety features in automobiles. The overall goal of this research is to develop a textile-based optical fiber sensor for automotive seat occupancy with high accuracy and reproducibility. In this study, the bending and tensile loading responses of POF were investigated, where two perfluorinated (PF) graded index (GI) POFs with two different core/cladding diameters, 62.5/750 and 62.5/490 μm, were used. The bending loss and the light attenuation against the applied axial stress were measured by a photon counting optical time-domain reflectometer. The critical bending diameters were analyzed: Cytop-1 (62.5/750 μm)?≥?38.10 mm, Cytop-2 (62.5/490 μm)?≥?44.45 mm. Furthermore, the elastic sensitive strain regions (x), where the stress-induced loss was recoverable, of the POFs at a 76.2 mm gage length at a strain rate of 4 mm/min were determined: Cytop-1: 3% ≤ x ≤ 3.5%, Cytop-2: 3.1% ≤ x ≤ 3.3%. The Cytop-1 was found to be less sensitive to bending and to have greater elastic sensitive strain range relative to the Cytop-2. In this study, a theoretical approach of the PF GI POF behavior to bending and axial tension was provided. The results demonstrated the feasibility of POFs as optical fiber sensors for automotive seat occupancy sensing. 相似文献
In our previous publications, the response of perfluorinated (PF) graded index (GI) POFs (62.5/750, 62.5/490 μm) to bending, tensile loading, and cyclic loading was investigated. The results showed that Cytop-1 (62.5/750 μm) was more appropriate to be used as an optical fiber sensor for automotive seat occupancy sensing relative to Cytop-2 (62.5/490 μm). In this study, a textile-based optical fiber sensor was designed and the effect of automotive seat covering including face material and foam backing on a sensor’s performance was analyzed. The pressure interval under which the proposed POF sensor design could perform well was found to be between 0.18 and 0.21 N/cm2, where PF GI POF (62.5/750 μm) was used as the POF material. The responses of the sensor in this interval were observed to be accurate and reproducible. The face fabric structure and the thickness of foam backing were not found to be significant factors to change the sensor response. Artificial neural network (ANN) was used for data analysis, and Qwiknet (version 2.23) software was used to develop ANNs. According to the results of Qwiknet, the prediction performances for training and testing data-sets were 75 and 83.33%, respectively. 相似文献
Recent success in achieving highly stable Rb‐containing organolead halide perovskites has indicated the possibility of incorporating small monovalent cations, which cannot fit in the lead‐halide cage with an appropriate tolerance factor, into the perovskite lattice while maintaining a pure stable “black” phase. In this study, through a combined experimental and theoretical investigation by density functional theory (DFT) calculations on the incorporation of extrinsic alkali cations (Rb+, K+, Na+, and Li+) in perovskite materials, the size‐dependent interstitial occupancy of these cations in the perovskite lattice is unambiguously revealed. Interestingly, DFT calculations predict the increased ion migration barriers in the lattice after the interstitial occupancy. To verify this prediction, ion migration behavior is characterized through hysteresis analysis of solar cells, electrical poling, temperature‐dependent conductivity, and time‐dependent photoluminescence measurements. The results collectively point to the suppression of ion migration after lattice interstitial occupancy by extrinsic alkali cations. The findings of this study provide new material design principles to manipulate the structural and ionic properties of multication perovskite materials. 相似文献
This paper investigates the problem of track occupancy detection in distributed settings. Track occupancy detection determines which tracks are occupied in a railway system. For each track, the Neyman–Pearson structure is applied to reach the local decision. Globally, it is a multiple hypotheses testing problem. The Bayesian approach is employed to minimize the probability of the global decision error. Based on the prior probabilities of multiple hypotheses and the approximation of the receiving operation characteristic curve of the local detector, a person-by-person optimization method is implemented to obtain the fusion rule and the local strategies off line. The results are illustrated through an example constructed from in situ devices. 相似文献
To achieve dual resonance qualification, we are suggested a sub-wavelength dual-ring Nano-antenna based on combination of Graphene and gold where Nano-Antenna with dual-resonance is attractive for spectroscopy and bio-sensing applications. The result shows that with these structures, we could be achieved dual-resonance characteristic of Infra red (IR) and optical regime. In addition, by biasing of the Graphene, we are attained a reconfigurable characteristic for our second resonance. Therefore, in this current research, the extinction, reflection and absorption cross section are studied for every structure and formation. For modeling the prototype Nano-antenna, SiN Substrate is selected with refractive index of 1.98 and silver with Palik optical characteristic for metal layer is modified. Simulation has been done with FDTD method. Of course, because of symmetry of the structure, the prototype Nano-antenna has similar manner for vertical or horizontal polarization. As a result, proposed Nano-antenna is useful for THz medical spectroscopy with simple method of designing and second frequency controlling only with graphene biasing. Here, we are debated about graphene placement and biasing interaction on the bonding and anti-bonding mode where we show that the gold and graphene interaction will affect on E-field distribution by making dipole or quad resonance. 相似文献