含裂纹三点弯曲梁起始扩展的动态分析

本文利用高速摄影捕捉含裂纹三点弯曲梁在冲击下裂纹扩展过程，借助动态焦散线对裂纹尖端初始曲线范围内的应力第二不变量分布进行了试验研究，并通过Ｄｅｔ．－准则对动载下裂纹起始扩展的条件和方向进行了分析。结果表明：裂纹扩展的实际方向与理论预测相一致；Ｄｅｔ．－准则与焦散线相结合在动态断裂力学研究中具有广泛的使用价值     

爆炸应力波作用下裂纹与孔洞的动态焦散线分析

将高速摄影技术与动态焦散线方法相结合，研究了爆炸应力波对裂纹、空孔的作用历史，记录了环绕它们的动态焦散斑图，给出了爆炸应力场中裂纹尖端复合应力强度因子的时间依赖关系以及空孔周围应力场分布的瞬态变化过程，为固体介质的爆破机理研究提供了新方法。     

Surfactant-induced formation of honeycomb pattern on micropipette with curvature gradient

Breath figure (BF) process is a facile method to prepare honeycomb structures by dynamic movements of condensed micrometer-sized water droplets at the interface of volatile fluid. Here, we aim to find answers to understand how the BF process occurs on micropipettes with curvature gradient and to understand the role of the surfactant in obtaining honeycomb patterns. Poly (L-lactic acid) (PLLA) chloroform solution with dioleoylphosphatidylethanolamine (DOPE) as surfactant was utilized. It is found that the honeycomb structure formed on the micropipettes changes remarkably with the gradually increased surface curvature. The variation trends of the arrangement and diameter of pores on the micropipettes with the increasing curvature are similar to the different time stages of BF process: smaller and sparse pores formed at higher curvature are similar to those formed at early stage of BF; regular honeycomb patterns formed at lower curvature are similar to those formed at the late stage of BF. Especially, the "semi-coalescence" hemispherical pores strings are found at high curvatures on PLLA-DOPE films, indicating the surfactant-induced coalescence of water droplets in BF process. The differences of drying speed of polymer solvent on micropipette with gradually increased curvatures make the printing of the pores at different BF stages on polymer film possible. These findings not only strongly support the mechanism of BF array formation, but also elucidate the surfactant-induced coalescence.     

Self-assembly of copper(II) ion-mediated nanotube and its supramolecular chiral catalytic behavior

Self-assembly of several low-molecular-weight L-glutamic acid-based gelators, which individually formed helical nanotube or nanofiber structures, was investigated in the presence of Cu(2+) ion. It was found that, when Cu(2+) was added into the system, the self-assembly manner changed significantly. Only in the case of bolaamphiphilic glutamic acid, N,N'-hexadecanedioyl-di-L-glutamic acid (L-HDGA), were the hydrogel formation as well as the nanotube structures maintained. The addition of Cu(2+) ion caused a transition from monolayer nanotube of L-HDGA to a multilayer nanotube with the thickness of the tubular wall about 10 nm. For the other amphiphiles, the gel was destroyed and nanofiber structures were mainly formed. The formed Cu(2+)-containing nanostructures can function as an asymmetric catalyst for Diels-Alder cycloaddition between cyclopentadiene and aza-chalcone. In comparison with the other Cu(2+)-containing nanostructures, the Cu(2+)-mediated nanotube structure showed not only accelerated reaction rate, but enhanced enantiomeric selectivity. It was suggested that, through the Cu(2+) mediated nanotube formation, the substrate molecules could be anchored on the nanotube surfaces and produced a stereochemically favored alignment. When adducts reacted with the substrate, both the enantiomeric selectivity and the reaction rate were increased. Since the Cu(2+)-mediated nanotube can be fabricated easily and in large amount, the work opened a new way to perform efficient chiral catalysis through the supramolecular gel.     

Tetrahydrometalate species VH(2)(H(2)), NbH(4), and TaH(4): matrix infrared spectra and quantum chemical calculations

Laser ablated V, Nb, and Ta atoms react with molecular hydrogen in excess neon at 4 K to give vanadium, niobium, and tantalum dihydrides that further react with H(2) to form VH(2)(H(2)), NbH(4), and TaH(4). The reaction products are identified by deuterium and deuterium hydride isotopic substitution. DFT and CCSD theoretical calculations are used to predict energies, geometries, and vibrational frequencies for these novel metal hydrides complex and molecules. The vanadium dihydride hydrogen complex, VH(2)(H(2)), is identified, while the niobium and tantalum tetrahydrides, NbH(4) and TaH(4,) with D(2d) symmetry structures are confirmed. Reactions of group 5 metal atoms with H(2) condensing in solid hydrogen gave VH(2)(H(2)) and the higher tetrahydride-hydrogen complexes NbH(4)(H(2))(4) and TaH(4)(H(2))(4).     

Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes

A three-component Pd(0)-catalyzed reaction of 1,5-bisallenes with organic halides in the presence of primary amines was observed to afford stereodefined not readily available ten-membered cyclic compounds highly chemo- and regioselectively. A mechanism involving two π-allylic palladium intermediates was proposed to account for the observed regio- and stereoselectivity.     

Solving diffusion equation using wavelet method

A wavelet-based numerical method based on wavelets of Hermite cubic splines is presented for computing singularly perturbed convection-dominated diffusion equation. The advantages of the method are explained. To improve the accuracy of singular areas, wavelets are configured hierarchically for solving algebraic equations. Numerical examples show that the proposed method has good efficiency and precision.     

Lewis acid catalyzed cyclization of glycals/2-deoxy-D-ribose with arylamines: additional findings on product structure and reaction diastereoselectivity

The cyclization reactions of arylamines with 2-deoxy-D-ribose or glycals were reinvestigated in the current report. In the montmorillonite KSF- or InCl(3)-initiated reactions of 2-deoxy-D-ribose with arylamines, a pair of diastereomeric tetrahydro-2H-pyran-fused tetrahydroquinolines was obtained in a nearly 1:1 ratio where the structure of one diastereomer was incorrectly assigned in the literature. Meanwhile, the diastereoselectivity in InBr(3)-catalyzed cyclization of glycals with arylamines was also incorrectly reported previously. It was found that high diastereomeric selectivity was achieved only when a C5-substituted glycal was used; otherwise, a pair of diastereomers was obtained in moderate yield with 1:1 diastereomeric ratio. Furthermore, tetrahydrofuran-fused tetrahydroquinolines 5b and 5b' were also prepared successfully by using TBDPS-protected ribose as the glycal precursor and montmorillonite KSF as the activator.