Lattice Boltzmann Model for the Incompressible Navier–Stokes Equation

In this paper a lattice Boltzmann (LB) model to simulate incompressible flow is developed. The main idea is to explicitly eliminate the terms of o(M ²), where M is the Mach number, due to the density fluctuation in the existing LB models. In the proposed incompressible LB model, the pressure p instead of the mass density ρ is the independent dynamic variable. The incompressible Navier–Stokes equations are derived from the incompressible LB model via Chapman–Enskog procedure. Numerical results of simulations of the plane Poiseuille flow driven either by pressure gradient or a fixed velocity profile at entrance as well as of the 2D Womersley flow are presented. The numerical results are found to be in excellent agreement with theory.     

双齿配位过渡金属化合物化学——Ⅲ.钒的邻巯基苯酚配合物的顺磁谱研究

测定了二个顺磁性化合物(Ph_1P)[V_2(mp)_6](Ⅰ)和(Ph_4P)_2[NaV(mp)_3 (MeCN)(MeOH)](Ⅱ)(H_2mp=邻巯基苯酚,o-HO_1C_6H_4SH)的固态和/或溶液中的顺磁波谱。(Ⅰ)的77K固态谱及(Ⅱ)的室温固态谱均经模拟计算,认为它们的钒原子处在S=l/2的Ⅰ=7/2状态,(Ⅱ)的低温(77K)溶液谱(乙腈)与Ⅱ的固态谱相同,均有特征的八条精细结构,认为非配对电子基本上定域在钒原子的周围。     

闪烁体荧光传输特性对ETOF探测器性能的影响

为了对BESⅢ端盖飞行时间探测器(ETOF)的测试结果给出合理的解释, 采用Monte Carlo模拟软件包Geant4, 对该探测器测量高能带电粒子的性能进行模拟研究. 详细探讨了当粒子击中ETOF模块不同位置时, 其闪烁体荧光传输特性与探测器模块输出信号之间的关联, 以及PMT输出信号甄别阈值的选取对闪烁探测器本征时间分辨的影响, 并寻找可能的改善时间分辨的方法. 为进一步提高ETOF的性能提供参考.     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.     

正负系数中立型差分方程的正解的存在性

In this paper the sufficient conditions for the existence of positive solutions of the neutral difference equations with positive and negative coefficients are established. The results improve some known conclusions in the literature     

巯基乙酸锑配合物的合成与X射线粉末衍射数据指标化

一些锑和铋的配合物可以应用于医药研究[1,2 ] ,已合成了许多锑的有机配体配合物[3～ 7] ,但其中大多数没有生物活性。因此 ,研究锑或铋离子的配合物不仅对主族元素化学、生物无机化学而且对医药都有着非常重要的意义。我们用三氯化锑与巯基乙酸液相反应法合成的二巯基乙酸锑 (Ⅲ)配合物 ,其组成为ＨＳｂ(ＳＣＨ2 ＣＯＯ) 2 ,用Ｘ射线粉末多晶衍射数据指标化来研究配合物晶体结构[8] 。1　实验部分1 1　仪器与试剂ＥＡ - 1 1 0 6型元素分析仪 (意大利卡拉欧巴公司制造 ) ,Ｄ Ｍａｘ -ＹＢ型多晶Ｘ射线粉末衍射仪(日本理学 ,ＣｕＫα射线 ,…     

C~k连续的保形分段2k次多项式插值

1．引言在每个子区间上，通过插入至多一个内结点，Brodlie和Butt［1］给出了分段三次多项式保形插值算法，Randal［2］等讨论了分段五次多项式插值，作者［31讨论了一般分段奇次多项式的保形插值，并且给1了内结点的位置范围公式．这种插值方法完全解决了一般的分段奇次多项式的保形插值问题．关于分段偶次多项式的保形插值，大多数文献只讨论分段二次保形插值，这里要特别指出的是Shumake［4j导出了二次样条保凸的充要条件，并且给出了一个二次样条保形插值的方法．在每一个子区间上至多插入一个内结点，则一个二次插值样条就可得到．作…     

Reversible addition–fragmentation transfer (RAFT) copolymerization of methyl methacrylate and styrene in miniemulsion

In the reversible addition–fragmentation transfer (RAFT) copolymerization of two monomers, even with the simple terminal model, there are two kinds of macroradical and two kinds of polymeric RAFT agent with different R groups. Because the structure of the R group could exert a significant influence on the RAFT process, RAFT copolymerization may behave differently from RAFT homopolymerization. The RAFT copolymerization of methyl methacrylate (MMA) and styrene (St) in miniemulsion was investigated. The performance of the RAFT copolymerization of MMA/St in miniemulsion was found to be dependent on the feed monomer compositions. When St is dominant in the feed monomer composition, RAFT copolymerization is well controlled in the whole range of monomer conversion. However, when MMA is dominant, RAFT copolymerization may be, in some cases, out of control in the late stage of copolymerization, and characterized by a fast increase in the polydispersity index (PDI). The RAFT process was found to have little influence on composition evolution during copolymerization. The synthesis of the well‐defined gradient copolymers and poly[St‐b‐(St‐co‐MMA)] block copolymer by RAFT miniemulsion copolymerization was also demonstrated. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 6248–6258, 2004     

质量控制图原理在股票投资组合中的应用研究

质量控制图是用来控制生产过程质量的一种统计方法。其基本理论方法应用到股票投资组合中,可以降低投资风险,提高投资组合的收益率。通过实证研究表明:利用质量控制图原理来确定投资组合的选股、买点和卖点,可以使投资组合获得明显高于大盘指数的收益率,从而验证了质量控制图的基本理论方法完全可以应用于股票投资决策,并且具有显著的实际应用价值。     

GENERALIZED SIMULTANEOUS CHEBYSHEV APPROXIMATION

In this note,we develop,without assuming the Haar condition,a generalized simultaneousChebyshev approximation theory which is similar to the classical Chebyshev theory and con-rains it as a special case.Our results also contain those in[1]and[3]as a special case,and thetwo conjectures proposed by C.B.Dunham in[2]are proved to be true in the case of simulta-neous approximation.