Theoretical prediction of noble gas containing anions FNgO- (Ng = He, Ar, and Kr)

The structures and energies of the noble gas containing anions FNgO- (Ng = He, Ar, and Kr) have been calculated by high-level ab initio calculations. The FNgO- anions were found to be deep-energy minima at the singlet electronic state, and their energies are significantly lower than those at the triplet state. High dissociation energy barriers to Ng + OF- were also predicted. The unexpected stability of the FNgO- was due to the dramatic ion-induced O=Ng bond formation. The calculated results suggested possible experimental identification of the anionic species and even some related "ionic compounds" under cryogenic conditions.     

Harmonic maps with fixed singular sets

Suppose Ω is a smooth domain in R^m,N is a compact smooth Riemannian manifold, andZ is a fixed compact subset of Ω having finite (m − 3)-dimensional Minkowski content (e.g.,Z ism − 3 rectifiable). We consider various spaces of harmonic mapsu: Ω →N that have a singular setZ and controlled behavior nearZ. We study the structure of such spacesH and questions of existence, uniqueness, stability, and minimality under perturbation. In caseZ = 0,H is a Banach manifold locally diffeomorphic to a submanifold of the product of the boundary data space with a finite-dimensional space of Jacobi fields with controlled singular behavior. In this smooth case, the projection ofu εH tou |ϖΩ is Fredholm of index 0. R. H.’s research partially supported by the National Science Foundation.     

阴离子交换色谱-积分脉冲安培法测定鱼粉和玉米粉水解液中氨基酸

将高效阴离子交换色谱．积分脉冲安培直接检测法应用于鱼粉和玉米粉水解液中的氨基酸的分析测定。该方法使用Dionex AminoPac PA10阴离子交换柱为分析柱，控制柱温为35℃，以NaOH和NaAc的强碱性溶液为淋洗液，在合适的梯度条件下，可以实现对17种常见氨基酸的高效分离。在强碱性条件下，获得良好分离的各个氨基酸可在配有金工作电极的电化学检测器上以积分脉冲安培法获得高灵敏度的检测。在优化的测定条件下，该方法对这17种氨基酸的检出限在0．21—3．38pmol之间；峰面积校正曲线的线性范围为2—3个数量级；5次平行测定的峰面积的相对标准偏差RSD在0．32％—4．7％之间。该方法应用于玉米粉和鱼粉水解液中氨基酸含量的测定，结果良好。对玉米粉和鱼粉水解液标准加入的回收率分别在81．9％—108．0％和90．0％～108．0％之间。     

Micelles of SDS Surfactants in Concentrated NaCl Solutions

We investigated the aggregation behavior of rod-like micelles of sodium dodecyl sulfate (SDS) in concentrated NaCl solution by quasi-elastic light scattering (QLS) and viscosity measurement over a range of temperature (25 °C to 50 °C) and NaCl concentration. The reduced viscosity of aqueous SDS in the presence of NaCl has been measured by an Ubbelohde-type capillary viscometer. We show mean hydrodynamic radius of micelles can be determined from viscosity data. We also determined mean hydrodynamic radius using quasi-elastic light scattering. Micellar size decreases with increasing temperature, whereas it increases with increasing ionic strength. The results of viscosity and dynamic light-scattering measurements are interpreted as the extension of length of rod-like micelles. We compare viscosity and light scattering experimental results.     

Delay of terminal current in systems with abruptly changed Hamiltonian

The current response for the parameter change of a mesoscopic system is a practical issue for future's circuit design. Nowadays most considered cases are various types of bias modulation, while the effect of change of conductor Hamiltonian is seldom addressed. In this paper, we investigate the response of ballistic transport induced by a sudden change of the conductor Hamiltonian. We formulize the terminal current in language of non-equilibrium Green's function. Our method is applied to one-dimensional tight-binding chains and we find that the terminal current has a delay to the Hamiltonian change. The amount of delay is not determined by the velocity of incident electrons in the bias window, but depends on the tight-binding hopping energy γ. The delay of current response at the detecting point away from where the Hamiltonian changes is $C{\gamma }^{?1}$, where C is a constant independent of the system.     

Side-on-End-on Coordination of Dinitrogen on a Polynuclear Vanadium Nitride Cluster Anion [V5N5]−

The side-on-end-on coordination of N₂ can be very important to activate and functionalize this very stable molecule. However, such coordination has rarely been reported. This study reports a gas-phase species (a polynuclear vanadium nitride cluster anion [V₅N₅]⁻) that can capture N₂ efficiently (12 %), and the quantum chemistry modelling suggests an unusual side-on-end-on coordination. The cluster anions were generated by laser ablation and the reaction with N₂ has been characterized by mass spectrometry, photoelectron imaging spectroscopy, and density functional theory calculations. The back-donation interactions between the localized d–d bonding orbitals on the low-coordinated dual metal (V) sites and the antibonding π* orbitals of N₂ are the driving forces to adsorb N₂ with a high binding energy (about 2.0 eV).     

不同磁路下微型ECR中和器电子引出的模拟研究

电子回旋共振(ECR)中和器是微型ECR离子推力器的重要组成部分,其引出的电子用于中和ECR离子源的离子束流,避免了航天器表面电荷堆积,并且电子引出性能对推力器的整体性能起着重要作用.为了分析影响微型ECR中和器电子引出的因素,本文建立了二维轴对称PIC/MCC计算模型,通过数值模拟研究不同磁路结构对中和器的电子引出,及不同腔体长度对壁面电流损失的影响.计算结果表明, ECR区位置和引出孔附近磁场构型对中和器的电子引出性能至关重要.当ECR区位于天线上游,电子在迁移扩散中易损失,并且电子跨过引出孔前电势阱所需的能量更高.如果更多磁力线平行通过引出孔,中和器引出相同电子电流所需电压较小.当ECR区被天线切割或位于下游时,电子更易沿磁力线迁移到引出孔附近,从而降低了收集板电压.研究了同一磁路结构下不同腔体长度对电子引出的影响,发现增加腔体长度,使得更多平行轴线的磁力线通过引出孔从而避免电子损失在引出板表面,增加了引出电子电流.研究结果有助于设计合理的中和器磁路和腔体尺寸.