Design of the low energy beam transport line for the China spallation neutron source

The design of the China Spallation Neutron Source (CSNS) low-energy beam transport (LEBT) line, which locates between the ion source and the radio-frequency quadrupole (RFQ), has been completed with the TRACE3D code. The design aims at perfect matching, primary chopping, a small emittance growth and sufficient space for beam diagnostics. The line consists of three solenoids, three vacuum chambers, two steering magnets and a pre-chopper. The total length of LEBT is about 1.74 m. This LEBT is designed to transfer 20 mA of H-pulsed beam from the ion source to the RFQ. An induction cavity is adopted as the pre-chopper.The electrostatic octupole steerer is discussed as a candidate. A four-quadrant aperture for beam scraping and beam position monitoring is designed.     

电、磁四极透镜问题

通过电四极透镜与磁四极透镜两个实例阐明中心反对称二维非均匀静电场静磁场及其应用。     

Twisting of a Spinning Particle Trajectory in an Absorbing Medium

In the geometric optics approximation, we predict the effect of additional twisting of spinning particle trajectories in an absorbing medium. The effect is determined by the particle polarization (chirality) and the curvature of the particle trajectory. Using our results, we quantitatively estimate the deviation from the mirror reflection law for ultracold neutrons.     

圆形面偶极层的静电势

讨论了圆形面偶极层静电势问题的正确解法,阐明了对于延拓法的正确理解,给出了有限间距时圆形平行板（分别带有异性面电荷）的静电势问题。     

Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm

Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK minimizer) is efficient and does not depend on the initial assigned values, and that the residual is acceptable when the distance to the model surface is close to, or larger than, the Debye length. We illustrate applications of DiSCO's model-building procedure to chromatin folding and supercoiled DNA bound to Hin and Fis proteins. DiSCO is generally applicable to other interesting macromolecular systems for which mesoscale models are appropriate, to yield a resolution between the all-atom representative and the polymer level.     

线-铝箔电极电晕放电激励器的推力理论与实验研究

空气电晕放电离子风激励器无需旋转部件, 仅通过消耗电能就能直接产生驱动力, 它是一种新型的动力技术, 备受国内外航空航天界的广泛关注. 目前对空气电晕放电离子风激励器的推力产生机理虽有各种解释, 但是现有理论均不能统一各种条件下的实验结果, 仍需要开展进一步的分析与研究. 本文以线-铝箔电极电晕放电激励器为研究对象, 通过实验研究发现作用在线电极与铝箔电极上的静电力不对称, 而且改变铝箔电极纵向高度和气压均能影响激励器的推力大小; 通过理论分析, 考虑电晕层与空间电荷的影响, 建立了线-铝箔电极电晕放电激励器的推力计算模型, 其计算值与实测值比较一致. 基于上述实验现象与理论建模分析, 本文认为线-铝箔电极电晕放电激励器的推力主要来源于线电极电晕产生的空间电荷对电极系统产生了不对称静电力作用, 使激励器出现净静电力作用.     

Interplay between Cation–π and Coinage‐Metal–Oxygen Interactions: An Ab Initio Study and Cambridge Structural Database Survey

The interplay between cation–π and coinage‐metal–oxygen interactions are investigated in the ternary systems N???PhCCM???O (N=Li⁺, Na⁺, Mg²⁺; M=Ag, Au; O=water, methanol, ethanol). A synergetic effect is observed when cation–π and coinage‐metal–oxygen interactions coexist in the same complex. The cation–π interaction in most triads has a greater enhancing effect on the coinage‐metal–oxygen interaction. This effect is analyzed in terms of the binding distance, interaction energy, and electrostatic potential in the complexes. Furthermore, the formation, strength, and nature of both the cation–π and coinage‐metal–oxygen interactions can be understood in terms of electrostatic potential and energy decomposition. In addition, experimental evidence for the coexistence of both interactions is obtained from the Cambridge Structural Database (CSD).     

超高效液相色谱-四极杆/静电场轨道阱高分辨质谱法非靶向筛查苹果中苯脲类农药

建立了超高效液相色谱－四极杆/静电场轨道阱高分辨质谱（UPLC-Q/Orbitrap HRMS）非靶向筛查苹果中苯脲类农药的方法。样品采用QuEChERS法提取净化,Acquity BEH C18色谱柱（100 mm × 2.1 mm,1.7 μm）分离,以甲醇和含0.1%甲酸的水溶液为流动相进行梯度洗脱,在电喷雾正离子模式下采用四极杆/静电场轨道阱高分辨质谱进行检测。将13种苯脲类除草剂和9种苯甲酰脲类杀虫剂按化学结构分为4类。首先通过对4类22种典型苯脲类农药标准品的准分子离子和二级质谱碎片进行分析,总结苯脲类农药的质谱裂解规律如下：绿麦隆等9种苯脲类除草剂的主要特征离子碎片为m/z 72.044 59,可通过特征丢失中性分子二甲胺（m/z 45.058 03）产生特征离子碎片;绿谷隆等4种苯脲类除草剂可通过特征丢失中性分子甲醇［CH3OH］或卤化氢［HR1］（R=Cl,Br,F）产生离子碎片;除虫脲等7种含氟苯甲酰脲杀虫剂的主要特征离子碎片为 m/z 158.040 47、141.015 00,也可发生特征中性丢失2,6-氟苯甲酰胺结构［C8H3F2O2NH2］（m/z 183.013 21）;杀铃脲等2种含氯苯甲酰脲类杀虫剂的主要特征离子碎片为m/z 156.020 25、138.993 76、113.015 28。利用该方法对北京12份市售苹果进行非靶向筛查,在1份样品中筛查出绿麦隆。该方法可为快速筛查农产品中相似结构特征的苯脲类化合物提供参考。