Density functional theory study on antiferromagnetic interactions in a silver (I) complex of nitronyl nitroxide

A one-dimensional (1D) silver (I) complex of nitronyl nitroxide with fairly strong antiferromagnetic interaction, in which the metal ions are diamagnetic, is investigated by means of the ab initio crystal orbital method based on the density functional theory. The calculated values of the magnetic coupling constant (J) are close to the experimental measured J value in the periodic system. The magneto-structural correlation reveals that the existence of an antiferromagnetic coupling pathway along nitronyl nitroxide units via silver (I) ion in this system. The spin population distribution also shows the existence of spin delocalization along the ONCNO–Ag–ONCNO, which affords a rational interpretation for the antiferromagnetic interaction mechanism.     

串列加速器头部电极改进方案

通过改变头部电极的局部形状来改善头部电场, 运用Poisson程序计算几种可能形状下表面电场的分布, 并以此给出最佳的改进方案.     

Extension of Isometries Between the Unit Spheres of Normed Space E and C（Ω）

In this paper, we study the extension of isometries between the unit spheres of normed space E and C（Ω）. We obtain that any surjective isometry between the unit spheres of normed space E and C（Ω） can be extended to be a linear isometry on the whole space E and give an affirmative answer to the corresponding Tingley＇s problem （where Ω be a compact metric space）.     

On a micro‐macro model for polymeric fluids near equilibrium

In this paper, we study a micro‐macro model for polymeric fluid. The system involves coupling between the macroscopic momentum equation and a microscopic evolution equation describing the combined effects of the microscopic potential and thermofluctuation. We employ an energetic variation procedure to explore the relation between the macroscopic transport of the particles and the induced elastic stress due to the microscopic structure. For the initial data not far from the equilibrium, we prove the global existence and uniqueness of classical solutions to the system. © 2006 Wiley Periodicals, Inc.     

不确定性因素对我国农村居民现金消费支出的影响分析

本文根据1978—2003年中国农村居民现金消费支出数据,综合考虑影响消费的主要因素来研究中国农村居民的现金消费行为。与以往研究不同的是,对于影响消费支出的不确定性因素,本文不是采用某个具体变量进行近似替代,而是采用刻画不确定性的条件异方差来描述。文章的结论是农村居民现金消费支出的主要影响因素并非收入,而是利率和不确定性因素,不确定性因素在1996年后表现得尤为突出。     

Determination of gold in ore by flame atomic absorption spectrometry with flow-injection on-line sorbent extraction preconcentration

Gold in ores was determined by flame atomic absorption spectrometry following on-line preconcentration by sorbent extraction in a flow-injection system. The medium polarity adsorption resin Amberlite XAD-8 packed in a 220-μl micro-column was used to collect gold(III) from hydrochloric acid sample solutions for 40 s at 7.6 ml/min. Ethanol was used to elute the adsorbed analytes into the nebulizer. Optimization studies were made on sample loading rate, elution rate and sample acidity. Some possible interferences on the determination are discussed. A 35-fold enrichment was achieved at a sampling frequency of 60 h^?1 and with an RSD of 1.4%. The detection limit (3σ) and 2 μg l^?1. Results for gold in ore samples showed good agreement with those obtained using activated carbon adsorption preconcentration. The recoveries were 97–108%.     

电控发动机喷油脉宽的分析

本文介绍了利用喷油脉宽大小的变化来分析电控发动机电控系统、燃油供给等系统故障的一种方法,在汽车故障检测与诊断中有着广泛的应用。     

Features of the total disintegration events of heavyemulsion targets caused by 4.5A GeV/c16O

Total disintegration events produced by 4.5\,A GeV/c $^{16}$O--AgBr interactions are analysed to investigate the characteristics of secondary charged particles produced in such collisions. The multiplicity distributions of grey, black, and relativistic charged particles can be well represented by Gaussian distribution. The average multiplicity of grey particles is found to increase with the mass of projectile increasing, while that of black particles is found to decrease with the mass of projectile increasing. This result is in good agreement with the prediction of fireball model. Finally, the linear dependence between grey and black particles is observed, but there is no distinct dependence between the production of relativistic charged particles and the target excitation.     

含有五边形—七边形缺陷的单壁纳米碳管的输运性质研究

运用第一性原理的密度泛函理论结合非平衡格林函数研究了含有五边形—七边形拓扑缺陷的纳米碳管异质结的输运性质.结果发现：拓扑缺陷对碳管的输运性质有很大影响；另外，不同类型的碳管形成的异质结的输运性质也有明显的差异. 关键词： 纳米碳管 输运性质 异质结 透射系数     

模拟退火法在吸收薄膜的椭偏反演算法中的应用

将一种广泛用于求解复杂系统优化问题的技术－－模拟退火法－－用来求解椭偏反演方程。首先假设一个薄膜模型，计算出其相应的椭偏参数（Ψ，Δ）的值，在这个计算值的基础上加入不同标准偏差的高斯噪声；然后将加入噪声后的值（Ψm,Δm)作为模拟的测量数据，采用模拟退火算法进行求解，验证得知这种方法求得的薄膜参数很接近于假设的薄膜模型参数的真值，与其他文献的报道结果一致，而且在扩大搜寻范围时，仍然可以得到准确解，从而证明了该方法的可行性以及有效性。