Ar 原子内嵌对C60 富勒烯碰撞的影响

基于半经验势的分子动力学模型， 研究了相同能量下 C₆₀ +C₆₀ 与 Ar@C₆₀ +Ar@C₆₀ 的对心碰撞后形成的富勒烯结构的不同。 发现在相同的能量下， Ar@C60 +Ar@C60 形成的碰撞产物的结构相比 C₆₀ +C₆₀ 碰撞产物的结构有着明显的不同: 前者形成“花生”状的新富勒烯结构， 后者形成“哑铃”状的双富勒烯结构。     

Branched Coverings and Embedded Surfaces in Four-manifolds

In this paper, we get a lower bound on the genera of surfaces re, presenting certain divisible classes in some 4-manifold X with Hi（X; Z） finite.     

On critical values of numerical parameters characterizing intersections of embedded sets

To study intersections of embedded bounded closed sets in Banach space, a numerical parameter was introduced earlier; in a certain sense, this parameter describes the deviation of the shape of a set from that of a sphere. Critical values of this parameter for some classes of Banach spaces are determined, a new numerical parameter serving the same purpose is introduced, and the relation between the two parameters is examined. Translated fromMatematicheskie Zametki, Vol. 68, No. 2, pp. 303–310, August, 2000.     

CartGen: Robust,efficient and easy to implement uniform/octree/embedded boundary Cartesian grid generator

An efficient and easy to implement method to generate Cartesian grids is presented. The presented method generates various kinds of Cartesian grids such as uniform, octree and embedded boundary grids. It supports the variation of grid size along each spatial direction as well as anisotropic and non‐graded refinements. The efficiency and ease of implementation are the main benefits of the presented method in contrast to the alternative methods. Regarding octree grid generation, applying a simple and efficient data compression method permits to store all grid levels without considerable memory overhead. The presented method generates octree grids up to a 13‐level refinement (8192³ grids on the finest level) from a complicated geometry in a few minutes on the traditional desktop computers. The FORTRAN 90 implementation of the presented method is freely available under the terms of the GNU general public license. Copyright © 2007 John Wiley & Sons, Ltd.     

GI~X/M~b/1/N排队系统

本文主要研究了顾客一般独立批到达、指数批服务、缓冲器容量有限的单个服务器的排队系统，本文首先使用补充变量和嵌入马氏链的方法，在部分拒绝和全部拒绝情形下，得到系统排队队长的稳态分布，进而得到相应的性能指标，如系统的平均排队长、平均等待时间、损失概率等．其次对等待时间进行了分析．     

An adaptive cut‐cell method for environmental fluid mechanics

In this work we present a numerical method for solving the incompressible Navier–Stokes equations in an environmental fluid mechanics context. The method is designed for the study of environmental flows that are multiscale, incompressible, variable‐density, and within arbitrarily complex and possibly anisotropic domains. The method is new because in this context we couple the embedded‐boundary (or cut‐cell) method for complex geometry with block‐structured adaptive mesh refinement (AMR) while maintaining conservation and second‐order accuracy. The accurate simulation of variable‐density fluids necessitates special care in formulating projection methods. This variable‐density formulation is well known for incompressible flows in unit‐aspect ratio domains, without AMR, and without complex geometry, but here we carefully present a new method that addresses the intersection of these issues. The methodology is based on a second‐order‐accurate projection method with high‐order‐accurate Godunov finite‐differencing, including slope limiting and a stable differencing of the nonlinear convection terms. The finite‐volume AMR discretizations are based on two‐way flux matching at refinement boundaries to obtain a conservative method that is second‐order accurate in solution error. The control volumes are formed by the intersection of the irregular embedded boundary with Cartesian grid cells. Unlike typical discretization methods, these control volumes naturally fit within parallelizable, disjoint‐block data structures, and permit dynamic AMR coarsening and refinement as the simulation progresses. We present two‐ and three‐dimensional numerical examples to illustrate the accuracy of the method. Copyright © 2008 John Wiley & Sons, Ltd.     

Structural transformations in silver nanoparticles

A molecular dynamics simulation was performed for silver clusters of 147, 309, and 561 atoms with the initial cuboctahedral habit in the temperature range 0–1000 K with an embedded atom potential for silver. Structural transitions of the silver clusters to complex twins (icosahedral habit) with coherent (111)/(111) boundaries over all edges of icosahedra were found, which started at temperatures of 50 K, 350 K, and 700 K, respectively. To analyze the structural transformations in nanoparticles, an algorithm is proposed based on a simplicial Delaunay decomposition (Delaunay triangulation). It was found that after the transition of silver nanoparticles to complex twins, the atomic motion becomes vibrational; the atoms vibrate around the sites that correspond to the vertices of the regular polyhedra. In the case of the 147-atom silver nanoparticle, the polyhedra are arranged in the following sequence, starting from the center of mass: icosahedron (12 atoms), icosododecahedron (30 atoms), icosahedron (12 atoms), dodecahedron (20 atoms), truncated icosahedron (60 atoms, isostructural with fullerene C₆₀), icosahedron (12 atoms), and one atom at the center of mass.     

Characterization of Ascentis RP-Amide column: Lipophilicity measurement and linear solvation energy relationships

This study investigates lipophilicity determination by chromatographic measurements using the polar embedded Ascentis RP-Amide stationary phase. As a new generation of amide-functionalized silica stationary phase, the Ascentis RP-Amide column is evaluated as a possible substitution to the n  -octanol/water partitioning system for lipophilicity measurements. For this evaluation, extrapolated retention factors, log k^′_w$\text{log}{k^{\prime }}_w$, of a set of diverse compounds were determined using different methanol contents in the mobile phase. The use of n-octanol enriched mobile phase enhances the relationship between the slope (S  ) of the extrapolation lines and the extrapolated log k^′_w$\text{log}{k^{\prime }}_w$ (the intercept of the extrapolation), as well as the correlation between log P   values and the extrapolated log k^′_w$\text{log}{k^{\prime }}_w$ (1:1 correlation, r² = 0.966). In addition, the use of isocratic retention factors, at 40% methanol in the mobile phase, provides a rapid tool for lipophilicity determination. The intermolecular interactions that contribute to the retention process in the Ascentis RP-Amide phase are characterized using the solvation parameter model of Abraham. The LSER system constants for the column are very similar to the LSER constants of the n-octanol/water extraction system. Tanaka radar plots are used for quick visual comparison of the system constants of the Ascentis RP-Amide column and the n-octanol/water extraction system. The results all indicate that the Ascentis RP-Amide stationary phase can provide reliable lipophilic data.     

面心立方金属声子色散曲线的数值模拟

把分析型嵌入原子法（AEAM）和晶格动力学理论相结合,在三维布喇菲晶格振动模型的基础上模拟了面心立方金属Au、Ag、Pt、Cu和Ni沿[00ζ]、[0ζζ]、[ζζζ]和[0ζ1]4个对称方向的声子色散曲线.结果表明：模拟曲线与实验点线符合的较好,特别在低频附近二者几乎一致,而在纵波模（L）q=（001）2π/a,q=...     

具有弱$s$-置换嵌入子群的有限群

Let P be a Sylow p-subgroup of a group G with the smallest generator number d,where p is a prime.Denote by M_d(P) = {P_1,P_(2,...,)P_d} a set of maximal subgroups of P such that φ(P) = ∩_(n=1)~dP_n.In this paper,we investigate the structure of a finite group G under the assumption that the maximal subgroups in M_d(P) are weakly s-permutably embedded in G,some interesting results are obtained which generalize some recent results.Finally,we give some further results in terms of weakly s-permutably embedded subgroups.