Structural and thermodynamic properties of AlB2 compound

We employ a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter (HGH) scheme in the frame of DFT to calculate the equilibrium lattice parameters and the thermodynamic properties of AlB₂ compound with hcp structure. The obtained lattice parameters are in good agreement with the available experimental data and those calculated by others. Through the quasi-harmonic Debye model, obtained successfully are the dependences of the normalized lattice parameters a/a₀ and c/c₀ on pressure P, the normalized primitive cell volume V/V₀ on pressure P, the variation of the thermal expansion α with pressure P and temperature T, as well as the Debye temperature \Theta_D and the heat capacity C_V on pressure P and temperature T.     

用"更相减损术"求最大公因式

“更相减损术”是我国古代数学中求二整数最大公因数的方法 .古典名著《九章算术》卷一在谈到分数分子分母约去公因数有“置分母子之数 ,以少减多 ,更相减损求其等也 .以等数约之 .”这里的“等数”就是所说分母分子的最大公因数 .所谓“更相减损求其等”就是置两个整数 ,以少减多 ,反复相减 ,直到二数相等就得到它们的最大公因数 .例如 ,求 91 ,49的最大公因数(91 ,49) .我们有(91 ,49) =(91 -49,49) =(4 2 ,49)=(4 2 ,7) =…… =(7,7) =7刘徽说 :“其所以相减者 ,皆等数之重叠 .”数91 ,49都是等数 7的重叠 .对于初学者来说 ,“更相减损求…     

可集成量子计算中的非近邻相互作用

我们研究一维自旋1／2链中的非近邻相互作用的影响。和近邻相互作用相比，非近邻的相互作用强度一般会较弱，因而在以前的许多方案中，这种长程的相互作用被忽略了。本文首先估计由被忽略的非近邻相互作用所引起的量子逻辑门的误差。我们得到的结果是，这项误差不仅和非近邻相互作用的强度有关，更依赖于一维自旋链所包含的粒子数，忽略非近邻相互作用有可能会对可集成量子计算造成影响。我们进一步研究如何消除或者压缩这种长程的相互作用所造成的影响。我们提出了一个量子计算方案。在这种方案中，次近邻的相互作用的影响被完全消除，从而我们可以使量子逻辑门的精度得以提高。我们也讨论了这种方案在超导量子计算体系里面的物理实现问题。     

矩阵法拟定化学反应机理软件

本软件是根据Happel和Sellers提出的矩阵法编制的。用户只需输入基元反应方程式及其系数矩阵,即可得出全部动力学上有意义的反应路线。本软件不但可用于单一总反应的物系,也可用于多个总反应的物系,既适于均相反应,也适于非均相反应。它是拟定化学反应机理的有力工具。本软件用BASIC语言编写,由DOS3.3以上版本支持,可在APPLE-Ⅱ及其兼容机上运行,使用十分方便。     

Multi-path propagation of acoustical wave and time reversal field in a solid plate

The multi-path effect of the acoustical wave in a solid plate is studied. The multireflection and wave conversion of the cylindrical compressional and shear waves, which are excited by an infinite strip on a free surface of the solid plate, are analyzed thoroughly by the far-field approximation method. The concise analytical representations of the cylindrical waves are obtained. The time reversal processing is then applied to the propagation of the cylindrical waves and analyzed theoretically and experimentally. It is shown that the waves coming from different array elements and different paths all arrive at the original place after the time reversal operation. It indicates that the time reversal can compensate automatically the wave aberration caused by the multi-path effect. The self-adaptive focusing of the time reversal field is also analyzed quantificationally by the focusing gain and the ratio of the principal to the second lobe. The effects of the focus position and the aperture of the transducer array on the focused field are also investigated. It shows that theoretical and experimental results are consistent to each other very well.     

纳米Zr-V-O粉末的XRD及TG-DSC研究

利用机械合金化制备纳米Zr-V粉末，对制备过程的材料进行物相分析和热分析试验。初始粉末Zr（150μm）和V（150μm）元素粉末（纯度99．15％）按原子比1：2或1：1进行混合后在氩气气氛中放入SimoloyerCMol—2球磨仓中，按几种不同的试验条件进行球磨。同时在997K和1047K下热处理40min和1h，并对热处理前后的粉末进行了物相和TG-DSC实验分析。     

铁铝催化体系催化丙烯酸丁酯聚合

研究了Fe(acac)3-Al(i-Bu)3-8-羟基喹啉(acac=乙酰丙酮)催化体系催化丙烯酸丁酯(BA)聚合，考察了聚合规律，用凝胶渗透色谱研究了聚合物分子量和分子量分布．动力学研究表明聚合反应对单体浓度呈一级关系，表观活化能为13．9kJ／mol．     

可压稠密气固两相流动过程的模拟计算

基于稠密气体分子运动论和颗粒动理学,建立可压稠密气固两相流动模型。采用梯度模拟来考虑气相可压缩性对气相湍流的影响。模拟计算表明气固两相射流速度沿轴向和径向减小,颗粒浓度下降。气固两相射流具有高的颗粒温度,呈现强烈的气固两相湍流流动特性。