Interplay between out-of-plane magnetic plasmon and lattice resonance for modified resonance lineshape and near-field enhancement in double nanoparticles array

Two-dimensional double nanoparticle （DNP） arrays are demonstrated theoretically, supporting the interaction between out-of-plane magnetic plasmons and in-plane lattice resonances, which can be achieved by tuning the nanoparticle height or the array period due to the height-dependent magnetic resonance and the periodicity-dependent lattice resonance. The interplay between the two plasmon modes can lead to a remarkable change in resonance lineshape and an improvement on magnetic field enhancement. Simultaneous electric field and magnetic field enhancement can be obtained in the gap region between neighboring particles at two resonance frequencies as the interplay occurs, which presents “open” cavities as electromagnetic field hot spots for potential applications on detection and sensing. The results not only offer an attractive way to tune the optical responses of plasmonic nanostructure, but also provide further insight into the plasmon interactions in periodic nanostructure or metamaterials comprising multiple elements.     

大型回热换热器的降温实验

大型低温配件的降温试验复杂和多变,文中针对大型回热换热器的降温进行了研究。将回热换热器置于特制的冷箱内,利用液氮作为冷源,氦气做为载冷剂为换热器提供降温条件;隔膜压缩机为循环氦气提供循环压力。试验前将换热器上面布置9支传感器,传感器所采集的数据自动记录并保存在上位机内,同时绘制降温曲线,为大型回热换热器的降温研究提供了数据。     

Random-phase approximation correlation methods for molecules and solids

Random-phase approximation (RPA) correlation methods based on Kohn–Sham density-functional theory and Hartree–Fock are derived using the adiabatic-connection fluctuation dissipation theorem. It is shown that the correlation energy within the adiabatic-connection fluctuation-dissipation theorem is exact in a Kohn–Sham framework while for Hartree–Fock reference states this is not the case. This shows that Kohn–Sham reference states are probably better suited to describe electron correlation for use in RPA methods than Hartree–Fock reference states. Both, Kohn–Sham and Hartree–Fock RPA methods are related to each other both by comparing the underlying correlation functionals and numerically through the comparison of total energies and reaction energies for a set of small organic molecules.     

Effect of Opacity on the Solar Spectral Line of C I 165.7 nm by Escape Factor Treatment

In this article, we report that by using the intensity ratio of the (2-2) to (1-2) component of CI emission lines at about 165.7 nm, we determined the optical depth at the line center of the (2-2) component of CI emission lines by escape factor treatment. The optical depth at the line center of the (2-2) component is calculated to be 0.9998, which is a more reasonable value of solar spectral lines than the value that has been reported. The variation of the optical depth at the line center for different positions from the solar limb is discussed. Using the measured abundance of carbon and the results of ionization balance calculations, we estimate the electron density in the CI emitting region. The density of hydrogen is estimated in the CI emitting region by this method, and is testified to be a better value than the value that has been reported. This discussion will be significant in the analysis of opacity on the solar ultraviolet (UV) or extreme-ultraviolet (EUV) spectrum.     

DNS study of swirling intensity effect on flow pattern of a circular jet

Abstract  

The figures show the 3D flow pattern of a circular jet with different swirling intensity. Reynolds number is approximately 4300 computed based on the nozzle diameter (d), jet velocity (U), and air fluid property at 1 atm and 300 K. The overall computational domain is set to be 4 × 4 × 12 d in spanwise, height, and streamwise direction. The governing equations are the fully compressible Navier–Stokes equations, firstly differenced by eighth-order explicit scheme and then advanced temporarily by using the fourth-order explicit Runge–Kutta method. 3D characteristics non-reflecting boundary condition including transverse source contribution is imposed on all other boundaries except the inflow boundary handled by assigning fixed profiles of temperature and velocity. To ensure the simulation resolution, here over 16 million grids are employed in sum, combined with a handful of grids located at buffer zones of outflow boundaries. To correctly represent the vortex in the flow field, velocity gradient tensor invariant Q is used here. And ψ refers to the swirling intensity defined as the ratio of tangential momentum to axis momentum. As shown in velocity profile, the flow pattern of the jet changes from a close mode to a totally open mode as ψ increases from 0.4 to 1.5. Accordingly, the recirculation zone gradually moves upstream and backflow velocity is enlarged as well. It is inteseting to found that the obvious drops of the momentums in two shown directions always occur at the same position downstream, no matter how large the ψ value is. Therefore, a momentum compensatory mechanism is expected to exist in the vortex-abundant zone. With the increase of ψ value, the increased strain rate in tangential direction can induce vortex more quickly, intensifying the entrainment and velocity-attenuation, which can be observed in Q value profile.     

HfO_2单层膜的吸收和激光损伤阈值测试

薄膜吸收是降低膜层激光损伤阈值的重要原因,为了研究薄膜吸收对激光损伤阈值的影响,对HfO2单层膜在1 064 nm处的吸收及其在不同波长激光辐照下的损伤阈值进行了测试和分析。研究结果表明:薄膜的激光损伤阈值由薄膜吸收平均值(决定于薄膜中缺陷的种类和数量)和吸收均匀性(决定于薄膜中缺陷的分布)共同决定;根据HfO2单层膜在1064 nm波长处的吸收值,不但可以定性判断薄膜在1 064 nm波长,而且还可以判断在其它波长激光辐照下的抗激光损伤能力。     

A periodic DFT study on adsorption of small molecules(CH_4,CO,H_2O,H_2S,NH_3)on the WO_3(001) surface-supported Au

Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.     

蓝宝石冲击消光晶向效应的第一性原理

蓝宝石的冲击消光现象是高压领域中的研究热点.低压段(86 GPa范围内)的实验研究表明蓝宝石的冲击消光与晶向相关,但在高压段(压力范围:131255 GPa)是否也具有晶向相关性目前尚不清楚.为此,利用第一性原理方法,分别计算了八个不同晶向的蓝宝石理想晶体和含氧离子空位缺陷晶体在高压段的光吸收性质,结果发现:1)蓝宝石在高压段的冲击消光表现出明显的晶向效应,且该效应还随压力增大而增强;一步的数据分析可以看出,在冲击实验采用的波段内,a晶向的消光最弱(透明性最好),c晶向的消光最强与c晶向的消光接近,g晶向的消光要弱于s晶向的消光.鉴于此,如果在高压段开展加窗冲击波实验,建议选择a晶向或m晶向的蓝宝石作为其光学窗口.本文结果不仅有助于深入地认识蓝宝石在极端条件下的光学性质,而且对未来的实验研究有重要的参考作用.     

四-(二甲氨基苯基)卟啉及其金属配合物的合成及光谱性能研究

以丙酸、乙酸、硝基苯为溶剂一步法合成了四-(二甲氨基苯基)卟啉(T(DMAP)P),并采用氯仿-N,N二甲基甲酰胺为溶剂合成了其与Zn2+,Mn2+,Tb3+三种离子的配合物,考察了溶剂种类、温度、时间对反应的影响,探讨了卟啉与金属盐反应两者用量的最佳比例,在较温和条件下合成了卟啉金属配合物,避免了高温合成金属卟啉不稳定现象。利用元素分析,IR,UV-Vis等方法确定了目标化合物的组成和结构。考察了不同浓度及温度下卟啉配合物的电导率并计算了其摩尔电导率。实验结果发现,卟啉与铽离子配合物摩尔电导率远大于锌、锰配合物。实验研究了不同金属离子对反应的影响,重点考察了卟啉及其金属配合物的分子光谱性能的差异。与四苯基卟啉相比,T(DMAP)P及其金属配合物UV-Vis光谱均发生红移,探讨了该现象产生的原因。