Molecular structure and puckering potential of gas-phase 1-pyrroline as determined by microwave and infrared spectroscopy

The microwave spectrum of 1-pyrroline has been measured from 8 to 48 GHz. The transitions have been assigned to those of the ground state and the four lowest excited states of the ring-puckering vibration of monomer, which is a five-membered ring molecule with one CN double bond. The trimer, which exists in the liquid phase, has not been detected in the gas phase. The geometrical structure of the monomer has been estimated by an ab initio calculation and the trimer by a molecular mechanics calculation. The former is consistent with the experimental rotational constants. A gas-phase infrared spectrum has also been measured, and the ring-puckering potential has been determined by an analysis of the combination bands of the ring-puckering mode and the ring-stretching modes. The potential is described using a puckering coordinate, z, as V(z) = az² + bz⁴, where $\text{a = ?3.358(16) × 10}{}^4\text{cm}{}^{\mathrm{?1}}\text{A}\text{?}{}^{\mathrm{?2}}$ and $\text{b = 1.345(9) × 10}{}^6\text{cm}{}^{\mathrm{?1}}\text{A}\text{?}{}^{\mathrm{?4}}$; these values are intermediate of the corresponding values for cyclopentene and 1-pyrazoline. The nuclear quadrupole coupling constants, χ_aa = ?4.39(10), χ_bb = 1.04(10), and χ_cc = 3.35(10) MHz, have been determined by an analysis of well-resolved hyperfine splittings. These constants have been reproduced by an ab initio calculation with a 4-31G(N¹) basis set.     

Hysteresis suppression improvement of polycrystalline silicon thin-film transistors by two-step hydrogenation

The effect of two-step hydrogenation, consisting of plasma hydrogenation and annealing in hydrogen, on the hysteresis phenomenon of metal-induced unilaterally crystallized silicon thin-film transistors (MIUC-Si TFTs) was investigated. The large hysteresis level of the conventional MIUC-Si TFTs caused a wide variation of the drain current with the previous gate voltage. As the plasma exposure time increased, the plasma hydrogenation commonly used for stability in poly-Si TFTs was found to increase the hysteresis level of MIUC-Si TFTs after a minimum point. This is because plasma-induced damages correlated with unique defects of MIUC-Si such as metal-related weak bonds, are accompanied by passivation. The following annealing repaired the damages. Consequently the hysteresis level was lower, which resulted in a narrower variation of the drain current.     

2,4-二氯甲苯氨氧化法制备2,4-二氯苯腈研究

对２,４－二氯甲苯经氨氧化法,一步制备有机中间体２,４－二氯苯腈进行了研究．在“微反－色谱”联用装置上完成催化剂的评比和筛选后,在内径３０ｍｍ的石英管固定床反应器上印证并进行工艺条件实验．考察了反应温度、氨比、空气比和空速对反应的转化率、摩尔收率和选择性的影响．所确定的工艺简捷,在合适的条件下使用ＤＴ１２４号催化剂,转化率高达９８．１％、摩尔收率８９．５％,生成２,４－二氯苯腈为白色针状或片状结晶,纯度高于９９％．同时,结合２,６－二氯甲苯氨氧化反应研究工作,对二氯甲苯的２、４位和２、６位的两个氯原子对反应的影响进行了初步的讨论     

Quantum well shape modification using vacancy generation and rapid thermal annealing

The effect of rapid thermal annealing (RTA) on the shapes of GaAs/AlGaAs quantum wells (QWs) has been investigated by monitoring exciton energies using low temperature photoluminescence and photoluminescence excitation spectroscopies. After RTA, large changes in exciton energies were observed only in regions of the samples in which excess surface vacancies were generated, either by capping with a thin layer of SiO₂ or by low-energy ion implantation. These changes were interpreted as resulting from modifications of the shapes of the as-grown QWs from abrupt or square to gradual (rounded) due to enhanced interdiffusion of well/barrier atoms. For single QWs there was an increase in exciton energy whose magnitude depended on the width of the well, its distance from the surface of the wafer, the annealing temperature and the total number of surface vacancies available. From studies of coupled QWs, there was clear evidence of asymmetry in the heterostructure after RTA. Although both techniques of vacancy generation yield substantial QW shape modifications, the ion implantation technique has the advantages of being highly reproducible and of being compatible with any material system.     

An Algorithm for Non-Linear Network Programming: Implementation,Results and Comparisons

This paper evaluates an algorithm for solving network flow optimization problems with quadratic cost functions. Strategies for fast implementation are discussed and the results of extensive numerical tests are given. The performance of the algorithm measured by CPU time is compared with that of the convex simplex method specialized for quadratic network programming. Performance of the two methods is analysed with respect to network size and density, and other parameters of interest. The algorithm is shown to perform significantly better on the majority of problems. We also show how the algorithm may be used to solve non-linear convex network optimization problems by the use of sequential quadratic programming.     

求解非对称线性方程组的QMRGCGS方法

1 引言 求解非对称线性方程组Ax=b的双共轭梯度方法(BCG)[3]和它的变形共轭梯度平方方法(CGS)[6]都有典型的不规则收敛行为,后来Freund和Nachtigal提出一种BCG类方法,即拟极小剩余方法(QMR)[7],用来补救BCG方法的收敛性并且产生了光滑的收敛曲线。然而,象BCG方法一样,QMR方法要用到系数矩阵A及其转置A~T与向量的乘积,为了解决这一问题,Freund提出TFQMR方法,此方法具有拟极小剩余性,同时不需用到A~T与向量的乘积。     

燃煤循环流化床燃烧脱硫的模型预测

燃煤循环流化床燃烧脱硫的模型预测池涌，岑可法，倪明江Ｐ·Ｂａｓｕ（浙江大学能源系杭州３１００２７）关键词：循环流化床，燃烧，脱硫，模型预测一、引言循环流化床锅炉在过去十几年中得到了广泛的应用，但与此同时由于循环流化床内流体动力特性的高度复杂使得数学模...     

Picosecond optoelectronic switching in CdS0.5Se0.5

So far only few materials have been investigated for their application in fast opto-electronic switching. These materials are Si, GaAs and InP. The difficulty in obtaining a high resistivity specimen of group IV elemental semiconductors puts constraints on their high power handling capability. Most of the group III–V compounds have the possibility of showing up of Gunn effect at high fields, which has undesirable effect in high voltage switching. We have, therefore, investigated a mixed II–VI compound CdS_0.5Se_0.5 for its potential use as an opto-electronic switch.     

The price of anarchy for non-atomic congestion games with symmetric cost maps and elastic demands

By showing that there is an upper bound for the price of anarchyρ(Γ) for a non-atomic congestion game Γ with only separable cost maps and fixed demands, Roughgarden and Tardos show that the cost of forgoing centralized control is mild. This letter shows that there is an upper bound for ρ(Γ) in Γ for fixed demands with symmetric cost maps. It also shows that there is a weaker bound for ρ(Γ) in Γ with elastic demands.