Distorted wave response of ultrasonic annular stator incorporating non-uniform geometry

The traveling wave ultrasonic stator is normally fabricated with teeth. The tooth geometry improves the driving speed, but it creates natural frequency splitting and mode contamination, especially a distorted traveling wave. A dynamic model of a stepped-plate periodic stator is developed to examine the distortion. The stator is treated as an annular supported by a thin mid plate, and the support stiffness is formulated by using equivalent energy principle. The effects of the tooth and mid plate on the natural frequency and vibration mode are examined by using the perturbation method. The rules governing the frequency splitting, frequency perturbation as well as mode contamination are also identified. The traveling wave response and elliptical trace on stator surface are obtained by using the mode superposition method and they are proved to be distorted due to the tooth geometry. The response at the repeated doublets becomes coupled forward and backward traveling waves, but that at the split doublets becomes coupled forward traveling, standing and backward traveling waves. The results indicate that the tooth mass instead of the stiffness decreases the vibration amplitude and driving speed of the dominant wave, but their effects are different at the repeated and split doublets. Inspection of the model implies that the distortion can be suppressed by using a suitable combination of the wavenumber, tooth count, tooth height and occupying fraction. Numerical calculations are carried out to demonstrate the tooth geometry effect on the transient waveform, driving speed and elliptical trace. The optimization of the tooth geometry that can help achieve a purer traveling wave is discussed.     

Structurally-driven metal-insulator transition in Ca2Ru1−xCrxO4 (0≤x<0.14): A single crystal X-ray diffraction study

Correlation between structure and transport properties are investigated in high-quality single-crystals of Ca₂Ru_1−xCr_xO₄ with 0<x<0.14 using single crystal X-ray diffraction and by electronic studies. The parent compound was known to exhibit an intriguing first-order structurally driven metal-insulator (MI) transition at 357 K. Upon chromium doping on the ruthenium site, the metal-insulator transition temperature (T_MI) was drastically reduced, and is related to the competition between structural changes that occur upon Cr doping and with decreasing temperature. A strong suppression of structural distortions with increasing Cr substitution was identified. No clear T_MI can be observed when x>13.5% and the system behaves as an insulator. Such a large, sharp metal-insulator transition and tuneable transition temperature may have potential applications in electronic devices.     

Structural Diversity of Metallosupramolecular Assemblies from Cu(phen)2+ (phen = 1,10‐Phenanthroline) Building Blocks and 4,4′‐Bipyridine

Attempts to crystal engineer metallosupramolecularcomplexes from Cu(phen)²⁺ building blocks and the prototypical,rod‐like, exo‐bidentate ligand 4,4′‐bipyridine (4,4′‐bipy) by layering techniques are described. Reactions of Cu(phen)²⁺ (phen = 1,10‐phenanthroline) with 4,4′‐bipy in the presence of NO₃^– counterions yielded two distinct, discrete, dinuclear, C_i symmetric, dumbbell‐typecomplexes, [{Cu(NO₃)₂(phen)}₂(4,4′‐bipy)] ( 1 ) and [{Cu(NO₃)(phen)(H₂O)}₂(4,4′‐bipy)](NO₃)₂ ( 2 ), depending upon the mixture of solvents used for crystallization. In compound 1 , a mono‐ and a bidentate nitrato group coordinate to Cu²⁺, whereas in 2 the monodentate nitrato groups are replaced by aqua ligands, which introduce additional hydrogen‐bond donor functionality to the molecule. The crystal structure of 1 was determined by single‐crystal X‐ray analysis at 296 and 110 K. Upon cooling, a disorder‐order transition occurs, with retention of the space group symmetry. The crystal structure of 2 at room temperature was reported previously [Z.‐X. Du, J.‐X. Li, Acta Cryst. 2007 , E63, m2282]. We have redetermined the crystal structure of 2 at 100 K. A phase transition is not observed for 2 , but the low temperature single‐crystal structure determination is of significantly higher precision than the room temperature study. Both 1 and 2 are obtained phase‐pure, as proven by powder X‐ray diffraction of the bulk materials. Crystals of [Cu(phen)(CF₃SO₃)₂(4,4′‐bipy) · 0.5H₂O]_n ( 3 ), a one‐dimensional coordination polymer, were obtained from [Cu(CF₃SO₃)₂(phen)(H₂O)₂] and 4,4′‐bipy. In 3 , Cu(phen)²⁺ corner units are joined by 4,4′‐bipy via the two vacant cis sites to form polymeric zig‐zag chains, which are tightly packed in the crystal. Compounds 1 – 3 were further studied by infrared spectroscopy.     

Spectroscopic investigations on NO+(x1∑+,a3∑+,A1Ⅱ) ion using multi-reference configuration interaction method and correlation-consistent sextuple b

Three low-lying electronic states (x¹∑⁺,a³∑⁺,and A¹Ⅱ) of NO⁺ ion are studied using the complete active space self-consistent-field (CASSCF) method followed by highly accurate valence internally contracted multi-reference configuration interaction (MRCI) approach in combination of the correlation-consistent sextuple basis set augmented with diffuse functions, aug-cc-pV6Z. The potential energy curves (PECs) of the NO⁺(x¹∑⁺,a³∑⁺,A¹Ⅱ) are calculated. Based on the PECs, the spectroscopic parameters R_e, D_e, ω_e, ω_eχ_e, α _e, B_e, and D₀ are reproduced, which are in excellent agreement with the available measurements. By numerically solving the radial Schrödinger equation of nuclear motion using the Numerov method, the first 20 vibrational levels, inertial rotation and centrifugal distortion constants of NO⁺(x¹∑⁺,a³∑⁺,A¹Ⅱ) ion are derived when the rotational quantum number J is equal to zero (J = 0) for the first time, which accord well with the available measurements. Finally, the analytical potential energy functions of these states are fitted, which are used to accurately derive the first 20 classical turning points when J = 0. These results are compared in detail with those of previous investigations reported in the literature.     

High Compression‐Induced Conductivity in a Layered Cu–Br Perovskite

We show that the onset pressure for appreciable conductivity in layered copper‐halide perovskites can decrease by ca. 50 GPa upon replacement of Cl with Br. Layered Cu–Cl perovskites require pressures >50 GPa to show a conductivity of 10^?4 S cm^?1, whereas here a Cu–Br congener, (EA)₂CuBr₄ (EA=ethylammonium), exhibits conductivity as high as 2×10^?3 S cm^?1 at only 2.6 GPa, and 0.17 S cm^?1 at 59 GPa. Substitution of higher‐energy Br 4p for Cl 3p orbitals lowers the charge‐transfer band gap of the perovskite by 0.9 eV. This 1.7 eV band gap decreases to 0.3 eV at 65 GPa. High‐pressure X‐ray diffraction, optical absorption, and transport measurements, and density functional theory calculations allow us to track compression‐induced structural and electronic changes. The notable enhancement of the Br perovskite's electronic response to pressure may be attributed to more diffuse Br valence orbitals relative to Cl orbitals. This work brings the compression‐induced conductivity of Cu‐halide perovskites to more technologically accessible pressures.     

大视场星敏感器标定技术研究

大视场星敏感器光学系统,由于畸变量较大,在轨标定过程中,直接采用最小二乘最优估计(LMS)或扩展卡尔曼滤波方法(EKF)无法精确求解其标定参数。在深入分析星敏感器测量误差因素的基础上,对考虑畸变和不考虑畸变两种情况的在轨标定结果进行了仿真对比;指出了标定焦距之前需先标定光学畸变的必要性,并介绍了4种可用于在轨校正光学畸变的方法;提出先标定主点偏差,再标定光学畸变参数,最后标定焦距的标定方法。仿真结果表明,可以采用像面旋转法求取主点偏差,利用高阶多项式方法求取光学畸变参数,畸变校正后,采用LMS和EKF标定算法估计焦距,标定精度达到了3.1μm和2.2μm。对100幅模拟星图处理后,星间角距统计偏差约为传统在轨标定方法的1/10～1/8。     

在群论框架下电子三重态与声子耦合的理论研究

本文基于绝热近似和群论导出了电声耦合系统的哈密顿量的一般形式,讨论了电声耦合系统中的电子算符和活跃的声子模式. 应用幺正平移变换和能量最小化方法,进一步计算了正四面体群下T*(e+t₂)杨-泰勒系统中的激发态能量,从对称性的角度分析了T₁电子态的能级分裂以及晶格体系的对称性破缺,得出了对称性的破缺方式和电声耦合系统密切相关的结论. 结果表明:通过群论与对称性分析完全可以定性地解释由于电声耦合所造成的简并电子 关键词： 电声耦合 杨-泰勒畸变 活跃的杨-泰勒声子模式 电声耦合哈密顿量     

直流磁控溅射Au膜的微观应变研究

采用直流磁控溅射技术在室温下制备了厚度为108.4和215.6 nm的Au膜,膜厚由椭偏仪测定.利用常规CBD扫描模式对Au膜微结构进行分析,并采用剖面分析直接法测定Au膜的微观应变.X射线衍射(XRD)分析表明,Au膜在平行于基片表面沿<111>方向择优生长;衍射线剖面的宽化主要由晶格畸变所致.厚度为215.6 nm Au膜的微观应变量为0.065,比108.4 nm Au膜(0.055)略大.     

Tuning the optical properties of ZnTPP using carbonyl ring fusion

Zinc meso-tetraphenylporphyrin (ZnTPP) was modified in such a way to allow the effect of an asymmetric structural distortion on its optical properties to be investigated. This involved the fusion of a phenyl group to an adjacent pyrrole ring via a carbonyl bridge. With the aid of Density Functional Theory (DFT) and time-dependent DFT (TD-DFT) calculations it was found that the asymmetric distortion away from planarity induced by the carbonyl fusion resulted in a loss of degeneracy in the two lowest unoccupied molecular orbitals (LUMOs). The effect was a red shift of the electronic absorbance bands, an increased Q:B ratio from 0.046 in ZnTPP to 0.096 in the fused derivative, and the appearance of additional UV–vis peaks. This study therefore suggests that structural distortions, as well as electronic substituents may be used to alter absorbance spectra, a technique which is of interest in the design of light-harvesting dyes.     

双圆性质曲线和拟共形映射

设 f : R²→R² 是一同胚, f (∝)=∝. 该文证明了f 是拟共形映射的充要条件是f 保持曲线的双圆性质不变.