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.     

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     

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     

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.     

北京自由电子激光最近进展──实现饱和振荡

北京自由电子激光(BFEL)装置于1993年底在10.68μm处实现了饱和振荡.输出激光能量为3mJ,饱和平顶宽度2μs.对应饱和振荡平均功率为210kW(宏脉冲),峰值功率约为20MW,比自发辐射高8个量级,单程小讯号净增益为24%,转换效率为0.45%,与理论预期结果相符.光束质量接近衍射极限.目前装置可工作于9-11μm.     

Fuzzy集的基数

关于Fuzzy集的基数，[1]中曾对有限支集的Fuzzy集以及极苛刻条件下的无限Fuzzy集给出过一种定义。但是，正如本文将要指出的那样，该定义是不合理的。本文将从研究Fuzzy映射入手，给出Fuzzy集基数的一般性定义。基于这一定义，不但得到有关基数的大部分结论，而且有其自身的特殊性。     

无原子布氏代数理论的计算复杂性

研究无原子布氏代数的计算复杂性 .得到了下面的新定理 :定理 1　无原子布氏代数理论Δ具有完全的量词消去法 ,也就是说每一个式子都Δ等价于一个开式子 .定理 2　无原子布氏代数的初等型Γ (x1,… ,xn)是由型内的不含量词的全体开式子所唯一决定 .定理 3　无原子布氏代数的一个长度为 n的语句的判断过程所消耗的 Turing时间和空间都是属于 2 2 cn指数级 .     

Facile one-step synthesis of a thia-bridged bis-1,10-phenanthroline macrocycle

An efficient one-pot synthesis of a macrocyclic ligand, consisting of two 1,10-phenanthroline nuclei bridged by sulfur, is described. A spectrophotometric investigation reveals the isolated compound to be the mono-trifluoroacetate salt. Symmetrical NH- and S-bridged tetradentate ligands were also synthesized by the new method.