Numerical approach for generic three-phase flow based on cut-cell and ghost fluid methods

In this paper, we introduce numerical methods that can simulate complex multiphase flows. The finite volume method, applying Cartesian cut-cell is used in the computational domain, containing fluid and solid, to conserve mass and momentum. With this method, flows in and around any geometry can be simulated without complex and time consuming meshing. For the fluid region, which involves liquid and gas, the ghost fluid method is employed to handle the stiffness of the interface discontinuity problem. The interaction between each phase is treated simply by wall function models or jump conditions of pressure, velocity and shear stress at the interface. The sharp interface method “coupled level set (LS) and volume of fluid (VOF)” is used to represent the interface between the two fluid phases. This approach will combine some advantages of both interface tracking/capturing methods, such as the excellent mass conservation from the VOF method and good accuracy of interface normal computation from the LS function. The first coupled LS and VOF will be generated to reconstruct the interface between solid and the other materials. The second will represent the interface between liquid and gas.     

Femtosecond electron pulse compression by using the time focusing technique in ultrafast electron diffraction

We present a new model of an electron gun for generating subrelativistic femtosecond (fs) electron pulses. The basic idea is to utilize a dc acceleration stage combined with a time focusing region, the time focusing electrode generates an electron energy chirp for bunching at the target. Without considering the space charge effects, simulations of the electron gun were carried out under the conditions of different dc voltages and various slopes of the voltage added on the time focusing electrode. Tracing and simulating large numbers of photoelectrons through Monte-Carlo and finite difference methods, the electron pulses with 1 ps can be compressed to 55 fs, which will allow significant advances in the field of ultrafast diagnosis.     

偶氮侧基聚合物光致异构动力学研究

本文对偶氮侧基聚合物相位共轭光时间特性进行了研究,得到了相位共扼光产生机制─光致异构过程的时间常数.在相位共轭光上升阶段,其时间常数在0.4～0.5s之间,在相让共轭光的衰减过程,衰减满足双指数关系,分段拟合得到较好的结果,且得到快过程的时间常数为0.27s,慢过程的时间常数为0.78s.     

羊八井50m2RPC实验及初步测试结果

介绍了羊八井50m²电阻板室(RPC)地毯实验的结构、安装和对其性能的初步测试.测试的结果表明RPC完全能够很好地在海拔4300m,气压594mbar的羊八井宇宙线观测站正常地运行.     

Luminescence of a GaN grain with a nonpolar and semipolar plane in relation to microstructural characterization

We report on the growth of the high-quality GaN grain on a r-plane sapphire substrate by using a self-organized SiN interlayer as a selective growth mask.Transmission electron microscopy,scanning electron microscopy,and Raman spectroscopy are used to reveal the effect of SiN on the overgrown a-plane GaN growth.The SiN layer effectively terminates the propagation of the threading dislocation and basal plane stacking faults during a-plane GaN regrowth through the interlayer,resulting in the window region shrinking from a rectangle to a "black hole".Furthermore,strong yellow luminescence(YL) in the nonpolar plane and very weak YL in the semipolar plane on the GaN grain is revealed by cathodoluminescence,suggesting that C-involved defects are responsible for the YL.     

Stereodivergent synthesis of enantioenriched azepino[3,4,5-cd]-indoles via cooperative Cu/Ir-catalyzed asymmetric allylic alkylation and intramolecular Friedel–Crafts reaction

The development of enantioselective annulation reactions using readily available substrates for the construction of structurally and stereochemically diverse heterocycles is a compelling topic in diversity-oriented synthesis. Herein, we report efficient catalytic asymmetric formal 1,3-dipolar (3 + 4) cycloadditions of azomethine ylides with 4-indolyl allylic carbonates for the construction of azepino[3,4,5-cd]-indoles fused with a challenging seven-membered N-heterocycle, a frequently occurring tricyclic indole scaffold in bioactive compounds and pharmaceuticals. Through cooperative Cu/Ir-catalyzed asymmetric allylic alkylation followed by intramolecular Friedel–Crafts reaction, an array of azepino[3,4,5-cd]-indoles were obtained in good yields with excellent diastereo-/enantioselective control. More importantly, the full stereodivergence of this transformation was established via synergistic catalysis followed by acid-promoted epimerization, and up to eight stereoisomers of the cycloadducts bearing three stereogenic centers could be predictably achieved from the same set of starting materials for the first time. Quantum mechanical computations established a plausible mechanism for the synergistic Cu/Ir catalysis to stereodivergently introduce two vicinal stereocenters whose stereochemical information is remotely delivered across the fused azepine ring to control the third chiral center. Epimerization of the last center involves protonation-enabled reversal of the thermodynamically controlled relative configuration.

A stereodivergent synthesis of azepino[3,4,5-cd]-indoles bearing three stereogenic centers was established via synergistic dual-metal catalysis followed by acid-promoted epimerization, and up to all eight stereoisomers could be predictably achieved.     

TG-FTIR技术对水氯镁石结晶热解过程的研究

水氯镁石脱水是镁资源利用的关键.其中一种重要的方法是向水氯镁石中添加助剂形成复盐及络合物脱水.通过缓慢冷却水氯镁石及盐酸苯胺的过饱和水溶液制备了水氯镁石-盐酸苯胺结晶物.通过TGDTA-FTIR联用技术分析了盐酸苯胺、水氯镁石以及盐酸苯胺-水氯镁石结晶物的热解过程,定性检测每步分解的逸出气体以推测反应过程.结果显示:盐酸苯胺在400℃以前仅发生物理变化;水氯镁石的热解分阶段进行,205℃以前发生脱去四个结晶水,205℃以后在脱水反应的同时发生水解反应生成HCl;盐酸苯胺-水氯镁石结晶物分阶段脱水、脱盐酸苯胺,整个过程没有水解现象发生,能够得到高纯度无水氯化镁.     

Hydrogen-bonded dimer of N,N′-(5-n-butyl-5-oxodibenzo[b,d]phosphole-3,7-diyl)bis(benzamide) dimethylformamide solvate

The structure of a large wing-span phosphine, in the oxide form, N,N-(5-n-butyl-5-oxodibenzo[b,d]phosphole-3,7-diyl)bis(benzamide), C₃₀H₂₇N₂O₃P, cocrystallized with dimethylformamide (DMF), C₃H₇NO, is reported. The title compound is crystallized in a triclinic system with cell dimensions of a = 10.295(8) b = 12.743(5) c = 13.239(6) Å, = 108.14(3), = 108.16(5), = 101.20(4)°, and V=1484.4(5) ų, and forms a hydrogen-bonded dimer via two hydrogen bond linkages of the P—O ··· H—N type involving one of the two amide groups.