Light transmission properties of double-overlapped annular apertures

We investigate the light transmission properties of double-overlapped annular apertures in a silver film with the three-dimensional finite-difference time-domain method. It has been found that the transmission peaks are attributed to the localized surface plasmon resonance (LSPR) of nanocavities and the surface plasmon polaritons (SPPs) of the nanoparticles. The peaks of the LSPR are blueshifted when the overlapping distance is increased. Moreover, a Fano-type resonance appears in the transmitted spectral response with an appropriate overlapping distance, which is elucidated as the hybridization results of the SPPs of the nanoparticles. The number and position of the Fano resonance can be tuned through varying the overlapping distance and other geometric parameters.     

Ti-doped nano-porous graphene: A material for hydrogen storage and sensor

Clustering of Ti on carbon nanostructures has proved to be an obstacle in their use as hydrogen storagematerials. Using density functional theory we show that Ti atoms will not cluster at moderate concentrations when doped into nanoporous graphene. Since each Ti atom can bind up to three hydrogen molecules with an average binding energy of 0.54 eV/H₂, this material can be ideal for storing hydrogen under ambient thermodynamic conditions. In addition, nanoporous graphene is magnetic with or without Ti doping, but when it is fully saturated with hydrogen, the magnetism disappears. This novel feature suggests that nanoporous graphene cannot only be used for storing hydrogen, but also as a hydrogen sensor.     

Geometries, stabilities, and electronic properties of gold-magnesium (AunMg) bimetallic clusters

The geometrical structures, relative stabilities, and electronic properties of bimetallic Au_nMg (n=1-8) clusters have been systematically investigated by means of first-principle density functional theory. The results show that the ground-state isomers have planar structures for n=1-7. Here, the calculated fragmentation energies, the second-order difference of energies, the highest occupied-lowest unoccupied molecular orbital energy gaps, and the hardness exhibit a pronounced odd-even alternation, manifesting that the clusters, especially Au₂Mg, with even-number gold atoms have a higher relative stability. On the basis of natural population analysis, the charge transfer and magnetic moment are also discussed.     

High-pressure crystal structure of elastically isotropic CaTiO3 perovskite under hydrostatic and non-hydrostatic conditions

The structural evolution of orthorhombic CaTiO3 perovskite has been studied using high-pressure single-crystal x-ray diffraction under hydrostatic conditions up to 8.1 GPa and under a non-hydrostatic stress field formed in a diamond anvil cell (DAC) up to 4.7 GPa. Under hydrostatic conditions, the TiO6 octahedra become more tilted and distorted with increasing pressure, similar to other 2:4 perovskites. Under non-hydrostatic conditions, the experiments do not show any apparent difference in the internal structural variation from hydrostatic conditions and no additional tilts and distortions in the TiO6 octahedra are observed, even though the lattice itself becomes distorted due to the non-hydrostatic stress. The similarity between the hydrostatic and non-hydrostatic cases can be ascribed to the fact that CaTiO3 perovskite is nearly elastically isotropic and, as a consequence, its deviatoric unit-cell volume strain produced by the non-hydrostatic stress is very small; in other words, the additional octahedral tilts relevant to the extra unit-cell volume associated with the deviatoric unit-cell volume strain may be totally neglected. This study further addresses the role that three factors--the elastic properties, the crystal orientation and the pressure medium--have on the structural evolution of an orthorhombic perovskite loaded in a DAC under non-hydrostatic conditions. The influence of these factors can be clearly visualized by plotting the three-dimensional distribution of the deviatoric unit-cell volume strain in relation to the cylindrical axis of the DAC and indicates that, if the elasticity of a perovskite is nearly isotropic as it is for CaTiO3, the other two factors become relatively insignificant.     

线圈炮电枢电磁-热耦合仿真分析

 从麦克斯韦方程组和导热微分方程出发,导出了3维多级感应线圈炮电磁场、温度场分布的基本方程,并以电磁场和温度场有限元分析为基础,建立了3维有限元分析模型,忽略级间的相互影响,多级线圈炮中电枢温升可以等效为多个单级电枢的温升,运用通用有限元分析软件ANSYS的耦合计算流程,对单级感应线圈炮中电枢电磁场和温度场进行仿真。计算中考虑了材料物理参数随温度变化对温度场的影响。仿真结果表明：电枢内的温升主要分布在电枢的外表面和尾部;电枢的温度随着电容器组电压和电容增加而升高,这是因为总能量增大,电枢中涡流也增大,从而电枢的温度升高;电枢的触发位置和速度匹配关系,也会对电枢温升造成很大的影响;电枢的温度随着级数的增加逐渐升高,说明电枢在一定级数后达到了材料的熔点而被破坏。     

The effect of surface morphology on the response of Fe2O3-loaded vanadium oxide nanotubes gas sensor

The effect of surface morphology on the response of an ethanol sensor based on vanadium nanotubes surface loaded with Fe₂O₃ nanoparticles (Fe₂O₃/VONTs) was investigated in this work. The particle size of Fe₂O₃ loaded on VONTs was varied by using novel citric acid-assisted hydrothermal method. In the synthesis progress, citric acid was used as a surfactant and chelate agent, which ensured the growth of a uniform Fe₂O₃ loading on the nanotubes surface. The ethanol sensing properties was then measured for these Fe₂O₃/VONTs at 230-300 °C. The results showed that the sensor response increased with the particles size and the loading amount of Fe₂O₃. It appears that the load of Fe₂O₃ on the VONTs surface increases the concentration of oxygen vacancies and decreases the concentration of free electrons. The effects of morphology on the sensor resistance were interpreted in terms of the Debye length and the difference in the number of active sites.     

Efficient scheme for the preparation of symmetric Dicke states via cross-Kerr nonlinearity

A scheme is proposed for generating maximally entangled Dicke states among four modes. The scheme only uses Kerr medium and homodyne measurements on coherent light fields, which can be efficiently made in quantum optical laboratories. The scheme can be generalized to produce maximally entangled 2k-qubit states.     

Disorder structure of free-flow and global jams in the extended BML model

The original BML model is extended by introducing extended sites, which can hold several vehicles at each time-step. Unexpectedly, the flow in the extended model sharply transits from free-flow to global jams, but the transition is not one-order in original BML model. And congestion in the extended model appears more easily. This can ascribe to the mixture of vehicles from different directions in one site, leading to the drop-off of the capacity of the site. Furthermore, the typical configuration of free flowing and global jams in the extended models is disorder, different from the regular structure in the original model.     

Structural and electronic properties of neutral clusters Ga12X (X=C, Si, Ge, Sn, and Pb) and their anions from first principles

The structural and electronic properties of neutral and negatively charged Ga₁₂X (X=C, Si, Ge, Sn, and Pb) clusters are calculated by the first-principles method. The results show that the most stable symmetry depends on the doped atom rather than the geometry structure. However, the geometry symmetry plays an important role in calculating the energy gap. In addition, in the anionic clusters, the added electron would reduce the energy gap by about 0.4 eV. As for the density of states (DOS), clusters with the same symmetry show a similar trend of DOS. The major impact on DOS by adding an electron is the occurrence of relative energy shift.     

Measurements of coating density using ultrasonic reflection coefficient phase spectrum

A nondestructive method to determine the density of coating has been proposed in this paper based on the ultrasonic reflection coefficient phase spectrum (URCPS). A model was set up first to represent the ultrasonic waves reflected from a coating system at normal incident, and the relation between the extremum of URCPS and the coating density was established to provide the principle of determining the density. The ultrasonic method was validated on a series of ZrO2-7 wt.%Y2O3 (YSZ) coatings with various density. The specimens were prepared by electric beam physical vapor deposit (EB-PVD). After deposition, the specimens were irradiated using high-intensity pulsed ion beam (HIPIB) at different ion current density of 100 and 200 A/cm2 to change coating density. The coating densities of as-deposited and post irradiation by HIPIB were derived to be 4940-5030, 5200-5320 and 5390-5470 kg/m3, respectively. The relative error between the coating density measured by the ultrasonic method and Archimedean principle ranging from 2.53% to 6.11%, indicates that the proposed ultrasonic quantification method provides a reliable nondestructive way to determine coating density.