Extraction of local coordination structure in a low‐concentration uranyl system by XANES

Obtaining structural information of uranyl species at an atomic/molecular scale is a critical step to control and predict their physical and chemical properties. To obtain such information, experimental and theoretical L₃‐edge X‐ray absorption near‐edge structure (XANES) spectra of uranium were studied systematically for uranyl complexes. It was demonstrated that the bond lengths (R) in the uranyl species and relative energy positions (ΔE) of the XANES were determined as follows: ΔE₁ = 168.3/R(U—O_ax)² ? 38.5 (for the axial plane) and ΔE₂ = 428.4/R(U—O_eq)² ? 37.1 (for the equatorial plane). These formulae could be used to directly extract the distances between the uranium absorber and oxygen ligand atoms in the axial and equatorial planes of uranyl ions based on the U L₃‐edge XANES experimental data. In addition, the relative weights were estimated for each configuration derived from the water molecule and nitrate ligand based on the obtained average equatorial coordination bond lengths in a series of uranyl nitrate complexes with progressively varied nitrate concentrations. Results obtained from XANES analysis were identical to that from extended X‐ray absorption fine‐structure (EXAFS) analysis. XANES analysis is applicable to ubiquitous uranyl–ligand complexes, such as the uranyl–carbonate complex. Most importantly, the XANES research method could be extended to low‐concentration uranyl systems, as indicated by the results of the uranyl–amidoximate complex (～40 p.p.m. uranium). Quantitative XANES analysis, a reliable and straightforward method, provides a simplified approach applied to the structural chemistry of actinides.     

基于双核模型对超重元素合成机制的研究

在双核模型基础上，考虑了熔合与准裂变的竞争，通过数值法求解主方程，计算了⁵⁰Ti，⁵⁸Fe+²⁰⁸Pb，²⁰⁹Bi这4个反应系统通过冷熔合反应合成超重元素的激发函数，得到了与实验比较符合的结果.计算了不同入射能量时各角动量分波对熔合概率和超重核存活概率的影响以及对蒸发剩余截面的贡献.这些结果对进一步理解超重核的合成机制有重要意义. 关键词： 超重元素 双核模型 熔合反应 蒸发剩余截面     

失谐对耗散耦合腔阵列体系超流-绝缘相变的影响

利用平均场理论和微扰论解析求解了失谐存在且环境作用下Jaynes-Cummings-Hubbard模型的哈密顿量,得到了体系序参量的解析表达式,并讨论了失谐对体系超流一绝缘相变的影响,研究结果表明:调节失谐可以改变腔间的有效排斥势和系统的临界隧穿率,实现系统在超流态和绝缘态之间转变,结合耗散耦合腔阵列的输运性质探讨了失谐对序参量取值的影响,结果显示:沿失谐负支随着失谐的增大,序参量会经历先增后减的变化。     

大功率高温超导滤波器的设计与功率测试

本文在双面YBCO高温超导薄膜上设计并制备了两节大功率超导滤波器,根据滤波器功率承载能力与最大电流密度之间的关系,减小电流密度和分散电流密度的分布是提高功率承载能力的关键.本文采用增加超导谐振器尺寸、优化几何结构及改进馈线耦合方式的方法,设计了两节2 GHz频段梭型谐振器结构的滤波器.设计及测量结果显示了馈线结构及谐振器几何尺寸优化程度对超导滤波器功率承载能力有不同程度的影响,说明了在大功率超导滤波器设计中应选用无结点间隙耦合式馈线以抑制电流密度的聚集.采用优化后的谐振器结构制备的梭型两节超导滤波器经测试功率承载能力为2 W.超导滤波器的尺寸为25×12 mm LaAlO3基片,中心频率2.022 GHz,相对带宽为2.4%.同时给出了超导滤波器功率测试的结构和方法.     

Effect of initial-state target polarization on single ionization of helium by 1-keV electron impact

We report new results of triple differential cross sections for the single ionization of helium by 1-KeV electron impact at the ejection energy of 10 eV. Investigations have been made for both the perpendicular plane and the plane perpendicular to the momentum transfer geometries. The present calculation is based on the three-Coulomb wave function. Here we have also incorporated the effect of target polarization in the initial state. A comparison is made between the present calculation with the results of other theoretical methods and a recent experiment [D黵r M, Dimopoulou C, Najjari B, Dorn A, Bartschat K, Bray I, Fursa D V, Chen Z, Madison D H and Ullrich J 2008 Phys. Rev. A 77 032717]. At an impact energy of 1 KeV, the target polarization is found to induce a substantial change of the cross section for the ionization process. We observe that the effect of target polarization plays a dominant role in deciding the shape of triple differential cross sections.     

A type of conserved quantity of Mei symmetry of Nielsen equations for a holonomic system

A type of structural equation and conserved quantity which are directly induced by Mei symmetry of Nielsen equations for a holonomic system are studied.Under the infinitesimal transformation of the groups,from the definition and the criterion of Mei symmetry,a type of structural equation and conserved quantity for the system by proposition 2 are obtained,and the inferences in two special cases are given.Finally,an example is given to illustrate the application of the results.     

Influence of annealing treatment on as-grown Ib-type diamond crystal at a high temperature and high pressure

In this paper,we report on the influence of annealing treatment on as-grown Ib-type diamond crystal under high pressure and high temperature in a china-type cubic anvil high-pressure apparatus.Experiments are carried out at a pressure of 7.0 GPa and temperatures ranging from 1700 C to 1900 C for 1 h.Annealing treatment of the diamond crystal shows that the aggregation rate constant of nitrogen atoms in the as-grown Ib-type diamond crystal strongly depends on diamond morphology and annealing temperature.The aggregation rate constant of nitrogen remarkably increases with the increase of annealing temperature and its value in octahedral diamond is much higher than that in cubic diamond annealed at the same temperature.The colour of octahedral diamond crystal is obviously reduced from yellow to nearly colorless after annealing treatment for 1 h at 1900 C,which is induced by nitrogen aggregation in a diamond lattice.The extent of nitrogen aggregation in an annealed diamond could approach approximately 98% indicated from the infrared absorption spectra.The micro-Raman spectrum reveals that the annealing treatment can improve the crystalline quality of Ib-type diamond characterized by a half width at full maximum at first order Raman peak,and therefore the annealed diamond crystals exhibit nearly the same properties as the natural IaA-type diamond stones of high quality in the Raman measurements.     

Electronic properties of anatase TiO2 doped by lanthanides: A DFT+U study

The effects of mono-doping of 4f lanthanides with and without oxygen vacancy defect on the electronic structures of anatase TiO₂ have been studied by first-principles calculations with DFT+U (DFT with Hubbard U correction) to treat the strong correlation of Ti 3d electrons and lanthanides 4f electrons. Our results revealed that dopant Ce is easy to incorporate into the TiO₂ host by substituting Ti due to its lower substitutional energy (∼−2.0 eV), but the band gap of the system almost keeps intact after doping. The Ce 4f states are located at the bottom of conduction band, which mainly originates from Ti 3d states. The magnetic moment of doped Ce disappears due to electron transfer from Ce to the nearest O atoms. For Pr and Gd doping, their substitutional energies are similar and close to zero, indicating that both of them may also incorporate into the TiO₂ host. For Pr doping, some 4f spin-down states are located next to the bottom of the conduction band and narrow the band gap of the doping system. However, for Gd doping, the 4f states are located in deep valence band and there is no intermediate band in the band gap. The magnetic moment of dopant Gd is close to the value of isolated Gd atom (∼7 μB), indicating no overlapping between Gd 4f with other orbitals. For Eu, it is hard to incorporate into the TiO₂ host due to its very higher substitutional energy. The results also indicated that oxygen vacancy defect may enhance the adsorption of the visible light in Ln-doped TiO₂ system.     

Precise measurement of the line width of the photoassociation spectra of ultracold molecules by using a frequency shifter

We propose a technique to precisely measure the line width of the photoassociation spectra of the excited cesium molecule by using a frequency shifter to generate two laser beams with a precise frequency difference. A series of photoassociation (PA) spectra are recorded with two laser beam induced molecular lines, whose peak separation serves as an accurate frequency ruler to measure the line width of the PA spectra. The full width half maximum line width was studied as a function of PA laser intensity. The extrapolated value at zero laser intensity is (34.84 ± 0.22) MHz. By analyzing other broadening mechanisms, a value of (32.02 ± 0.70) MHz was deduced. It is shown that this scheme is inexpensive, simple, robust, and is promising for applications in a variety of other atomic species.     

等离子体纳米结构中的Fano共振效应及其应用

Fano共振效应是一种具有非对称线型的共振散射现象,起源于共振过程和非共振过程的量子干涉效应。近年来,在等离子体纳米结构中Fano共振现象也被发现,并成为纳米光子学的一个研究热点。等离子体Fano共振通常具有较窄的光谱线宽,且不能直接与入射光耦合,只能局域在近场,强的近场局域特性可以获得巨大的表面电磁场增强。由于等离子体Fano共振独特的光学特性,已经被应用到单分子探测、高灵敏度传感、增强光谱、完美吸收、电磁诱导透明和慢光光子学器件等众多领域当中。