二元液态金属Cu-Ni和Ag-Cu凝固过程的分子动力学模拟研究

用Quantum Sutton-Chen多体势对Ag6Cu4和CuNi液态金属凝固过程进行了分子动力学模拟研究.在冷却速率2×1012到2×1014K/s范围内,CuNi总是形成fcc晶体结构,而Ag6Cu4总是形成非晶态结构.考虑到CuNi及AgCu中原子半径之比分别为1.025和1.13,那么模拟结果证实了原子的尺寸差别是非晶态合金形成的一个主要影响因素.此外采用键对及原子多面体类型指数法对凝固过程中微观结构组态变化的分析,不但能说明二十面体结构在非晶态合金形成和稳定性中所起的关键作用,又有助于对液态金属的凝固过程、非晶态结构特征的深入理解.     

图书馆在技校教育中的作用

介绍了图书馆教育职能的特点和图书馆发挥教育职能的前提,阐述了技校图书馆发挥教育职能的主要途径。     

新型二硫纶·菲咯啉-5，6-二酮合铜(Ⅱ)配合物的磁性研究

报道了新合成的二氰基二硫纶·菲咯啉-5，6-二酮合铜(Ⅱ)配合物CuLL′(L=mnt^2-, 1,2-dicyano-1,2-ethylenedithiolate; L′=phen-5，6-dione, 1,10-phenanthroline-5,6-dione)的变温磁化率和电子顺磁共振波谱表征结果. 发现微晶粉体型的标题配合物CuLL′具有一定的顺磁性，形成四配位的近似于方形的结构. 探讨了这种配合物磁学特性与结构的关系.     

Synthesis and Photochemical Properties of a New Substituted Phenol Covalently Linked to Ruthenium （Ⅱ） Tris-bipyridine Containing Four Ester Groups as Sensitizer

As photosensitizer for solar cell, a new ruthenium (Ⅱ) complex with four ester groups had been synthesized, in which a phenol substituted by {[(2-hydroxy-5-tert-butylbenzyl)(pyridyl-2-methyl)amino]methyl} is covalently linked to ruthenium (Ⅱ) tris-bipyridine. The structures of the new compounds were confirmed by NMR and ESI-MS spectra. The electrochemical and photochemical properties were also studied.     

Studies on the Adsorption of Asymmetrical Triblock Copolymers by Scheutjens-Fleer Theory and Monte Carlo Simulation

The adsorption of asymmetrical triblock copolymers from a non-selective solvent on solid surface has been studied by using Scheutjens-Fleer mean-field theory and Monte Carlo simulation method on lattice model. The main aim of this paper is to provide detailed computer simulation data, taking A8-kB20Ak as a key example, to study the influence of the structure of copolymer on adsorption behavior and make a comparison between MC and SF results. The simulated results show that the size distribution of various configurations and density-profile are dependent on molecular structure and adsorption energy. The molecular structure will lead to diversity of adsorption behavior. This discrepancy between different structures would be enlarged for the surface coverage and adsorption amount with increasing of the adsorption energy. The surface coverage and the adsorption amount as well as the bound fraction will become larger as symmetry of the molecular structure becomes gradually worse. The adsorption layer becomes thicker with increasing of symmetry of the molecule when adsorption energy is smaller but it becomes thinner when adsorption energy is higher. It is shown that SF theory can reproduce the adsorption behavior of asymmetrical triblock copolymers. However, systematic discrepancy between the theory and simulation still exists.The approximations inherited in the mean-filed theory such as random mixing and the allowance of direct back folding may be responsible for those deviations.     

广义的一维Fibonacci结构

本文提出一维k组元的Fibonacci结构,它包含k个无公度的基本长度,是具有两个基本长度的标准Fibonacci结构的自然推广,投影理论被用来处理它的X射线衍射花样及其指标化问题,理论模拟被用于验证投影理论的结果,值得注意的是,对于有限的链长,当k足够大时,它的衍射谱将趋于混沌。 关键词：     

高精度的光纤衰减系数测试系统的设计

利用常规仪器设备，设计了一套集光、机、电为一体的光纤衰减测量,实现了数字化监测显示，并可与微机接口；采用双光路法，消除了由于光源光强不稳定产生的误差。     

基于VAGUE集多准则决策的模糊TOPSIS方法

给出了V AGUE集之间距离的新定义,在此基础上,提出一个基于V AGUE集多准则决策的模糊TOP-S IS方法,它为决策系统提供了一个有用的工具,并通过例子阐明本文方法的有效性.     

低复杂度序列的维数

本文研究符号空间中由零拓扑熵序列组成的集合.通过构造适当的自相似集,证明了该集合的盒维数为1,而Hausdorff维数为0.     

Spectrum Simulation of Li-Like Aluminium Plasma

X-ray emission spectra for L-shell of Li-like aluminium ions are simulated by using the flexible atomic code based on the collisional radiative model. Atomic processes including radiative recombination, dielectronic recombination, collisional ionization and resonance excitation from the neighbouring ion （Al^9＋ and Al^11＋ ） charge states of the target ion （Al^10＋） are considered in the model. In addition, the contributions of different atomic processes to the x-ray spectrum are analysed. The results show that dielectronic recombination, radiative recombination, collisional ionization and resonance excitation, other than direct collisional excitation, are very important processes.