Single Crystal to Single Crystal (SC‐to‐SC) Transformation from a Nonporous to Porous Metal–Organic Framework and Its Application Potential in Gas Adsorption and Suzuki Coupling Reaction through Postmodification

A new amino‐functionalized strontium–carboxylate‐based metal–organic framework (MOF) has been synthesized that undergoes single crystal to single crystal (SC‐to‐SC) transformation upon desolvation. Both structures have been characterized by single‐crystal X‐ray analysis. The desolvated structure shows an interesting 3D porous structure with pendent ?NH₂ groups inside the pore wall, whereas the solvated compound possesses a nonporous structure with DMF molecules on the metal centers. The amino group was postmodified through Schiff base condensation by pyridine‐2‐carboxaldehyde and palladium was anchored on that site. The modified framework has been utilized for the Suzuki cross‐coupling reaction. The compound shows high activity towards the C?C cross‐coupling reaction with good yields and turnover frequencies. Gas adsorption studies showed that the desolvated compound had permanent porosity and was microporous in nature with a BET surface area of 2052 m² g^?1. The material also possesses good CO₂ (8 wt %) and H₂ (1.87 wt %) adsorption capabilities.     

Simulation of beam gas coulomb scattering in HALS

In conventional research on beam gas coulomb scattering(BGCS), only the related beam lifetime using the analytical method is studied. In this paper, using the particle-in-cell Monte Carlo collisions(PIC-MCC) method,we not only simulated the beam lifetime but also explored the effect of BGCS on the beam distribution. In order to better estimate the effect on particle distribution, we study the ultra-low emittance electron beam. Here we choose the He Fei Advanced Light Source. By counting the lost particles in a certain time, the corresponding beam lifetime we simulated is 4.8482 h/13.8492 h in x/y, which is very close to the theoretic value(5.0555 h /13.7024 h in x/y).By counting the lost particles relative to the collided particles, the simulated value of the loss probability of collided particles is 1.3431e-04, which is also very close to the theoretical value(1.3824e-04). Besides, the simulation shows there is a tail in the transverse distribution due to the BGCS. The close match of the simulation with the theoretic value in beam lifetime and loss probability indicates our simulation is reliable.     

从事件历史研究上海私车额度拍卖政策绩效

借鉴力学史研究思路和力学基本原理, 从上海私车额度拍卖政策相关历史事件变迁的角度, 研究政府对私车拥有权进行干预的情形下, 私人机动车与社会经济发展的关系, 以此评估政策绩效. 分析表明, 从2002 年至2013 年, 推动个人民用车辆增长主要因素为人口增长、道路建设和公交设施投入(万人公交车拥有量), 阻碍因素包括系统惯性、额度投放量以及与政策事件相关联的"作用力"; 与预期目标相比, 额度拍卖政策的作用效果显得相当微弱.     

Modified Lagrangian vortex method with improved boundary conditions for water waves past a thin bottom‐standing barrier

Herein, the modified Lagrangian vortex method (LVM), a hybrid analytical‐numerical algorithm per se, is devised to simulate the process of vortex formation and shedding from the sharp edge of a zero‐thickness vertical plate under linear water‐wave attack. Application of the Helmholtz decomposition facilitates a convenient switch between the inviscid‐ and viscous‐flow models, thereby enabling easy incorporation of vorticity effects into the potential‐flow calculations for the viscous‐dominated region. In evaluating the potential‐flow component, making good use of the quickly convergent technique with singular basis functions, correctly capturing the singular behavior in velocity fields near the tip of the plate, leads to a considerable reduction of computational burdens and to 12‐decimal‐place accuracy. The viscous correction is carried out via the meshless LVM with improved boundary conditions. Comparisons with previously published results show good agreement. Simulations of vortex generation and evolution illuminate the ability of the present method, and provide a supplement to pertinent experimental works. The hybrid scheme proposed herein allows flexibility for the former LVM and convenience in the code development. Such a compromise fits particularly well for the high‐resolution modeling of sharp‐edged vortex shedding without heavy numerical developments. Copyright © 2014 John Wiley & Sons, Ltd.