Impact of neutral and acidic species on cycloalkenes nucleation

Non-covalent hydrogen bond interactions between the π cloud of cycloalkenes and three atmospheric common nucleation precursors (H₂S, H₂O, and MeOH) have been investigated using DFT and CCSD(T). The structures and the energies of the 1:1 and 1:2 adducts were computed with the B3LYP-D3 method. The analysis of the investigated electronic properties and geometric parameters shows that cyclohexene is a stronger hydrogen bond acceptor than cyclopentene, then followed by 1,4-cyclohexadiene and 1,3-cyclohexadiene. Comparable red shifts of the OH-/SH-stretching vibrational frequencies were noticed for the studied clusters. Increasing the ring size enhances the hydrogen bond interaction, and increasing the π delocalization decreases the hydrogen bond interactions. This is further confirmed by Bader’s quantum theory of atoms in molecules. The nonadditivity effects were observed in the trimolecular complexes. All the complexes were analyzed by energy decomposition analysis to divide the interaction energy into individual components. Furthermore, the dipole moments and atmospheric implications were also investigated.

     

次线性期望下的一般中心极限定理

受Peng-中心极限定理的启发,本文主要应用G-正态分布的概念,放宽Peng-中心极限定理的条件,在次线性期望下得到形式更为一般的中心极限定理.首先,将均值条件E[X_n]=ε[X_n]=0放宽为|E[X_n]|+|ε[X_n]|=O(1/n);其次,应用随机变量截断的方法,放宽随机变量的2阶矩与2+δ阶矩条件;最后,将该定理的Peng-独立性条件进行放宽,得到卷积独立随机变量的中心极限定理.     

Springer basic sets and modular Springer correspondence for classical types

We define the notion of basic set data for finite groups (building on the notion of basic set, but including an order on the irreducible characters as part of the structure), and we prove that the Springer correspondence provides basic set data for Weyl groups. Then we use this to determine explicitly the modular Springer correspondence for classical types (defined over a base field of odd characteristic $p$, and with coefficients in a field of odd characteristic $?\ne p$): the modular case is obtained as a restriction of the ordinary case to a basic set. In order to do so, we compare the order on bipartitions introduced by Dipper and James with the order induced by the Springer correspondence. We provide a quick proof, by sorting characters according to the dimension of the corresponding Springer fibre, an invariant which is directly computable from symbols.     

宽禁带碳化硅单晶衬底及器件研究进展

碳化硅作为第三代宽禁带半导体的核心材料之一，相对于传统的硅和砷化镓等半导体材料，具有禁带宽度大、载流子饱和迁移速度高，热导率高、临界击穿、场强高等诸多优异的性质。基于这些优良的特性，碳化硅材料是制备高温电子器件、高频大功率器件的理想材料。近年来在碳化硅材料生长和器件制备方面取得重大进展，对碳化硅材料特性和生长方法进行回顾，并研究了碳化硅光导开关偏压、触发能量、导通电流之间的关系，以及开关失效情况下电极表面的损伤情况。     

High-frequency lengthwise diffraction by the curve separating soft and hard part of the surface

The paper examines the model problem of high-frequency diffraction by a convex surface consisting of two parts. One is soft, the other is hard. The incident wave falls at a small angle to the line which separates soft and hard parts of the surface. The change in the boundary condition provokes the field in the Fock zone to have a rapid transverse variation. This causes a special boundary-layer to be formed. The boundary value problem for the three dimensional parabolic equation is reduced to the Riemann problem solved by the factorization in the form of infinite products containing the zeros of the Airy function and zeros of its derivative. the results of this factorization appear under the sign of double Fourier integral in the representation of the field. Both numerical and asymptotic analysis of this representation is carried out and illustrates the effects of high-frequency diffraction caused by the line of the boundary condition discontinuity.     

Azobenzene‐Functionalized Cage Silsesquioxanes as Inorganic–Organic Hybrid,Photoresponsive, Nanoscale,Building Blocks

Mono‐ and octa‐azobenzene‐functionalized cage silsesquioxanes were easily synthesized by the reaction of 4‐bromoazobenzene with monovinyl‐substituted octasilsesquioxane and cubic octavinylsilsesquioxane through the Heck coupling reaction. Excited‐state energies obtained from time‐dependent density functional theory (TDDFT) and the CAM‐B3LYP functional correlate very well with experimental trans–cis photoisomerization results from UV/Vis spectroscopy. These azobenzene‐functionalized cages exhibit good thermal stability and are fluorescent with maximum emission at approximately 400 nm, making them potential materials for blue‐light emission.     

数字全息干涉相位导数计算的研究

应变测量对材料评估与分析非常重要。通过计算数字全息干涉的相位导数可实现应变测量。本文针对数字全息干涉相位导数提取问题,对数字剪切法和基于二维伪维格纳法进行研究。数字剪切法通过对干涉复相量的数字平移实现剪切,确定干涉相位导数,而二维伪维格纳法则通过对干涉复相量的二维伪维格纳分布变换,由变换模极值对应的频域参数确定相位导数。数字剪切法需干涉复相量的数字剪切过程,还需相位去包裹。由于激光散斑噪声的影响,直接数字剪切法处理效果较差,通过对剪切干涉复相量滤波,能较好消除散斑噪声影响。二维伪维格纳法无需数字剪切和相位去包裹,就可同时得到2个方向的干涉相位导数,但处理时间较长,处理效果较差。最后,用数字全息干涉法对四周固定、中心加载铝圆盘进行了实际测量,并分别用数字剪切法和二维伪维格纳法进行了分析。结果表明,滤波数字剪切法处理时间适中,处理效果较好。