Convergence of iterated boolean sums of simultaneous approximants

Explicit error estimates are given for the iterated Boolean sum of a sequence of simultaneous approximants; the rate of convergence is shown to be improved for smooth functions. The general results are applied in the case of the Bernstein, Durrmeyer and Stancu operators.     

Unrestricted Hartree-Fock approximation of the extended emery model

We use an unrestricted self-consistent Hartree-Fock approach to calculate the nature of doping states in the three-band Hubbard model. It turns out that for physically relevant parameter values one hole is localized within a small spin-polarized region where five Cu spins are aligned in the same direction. The spin polarization and binding energy between these spinpolaronic states are investigated as a function of different parameters including a Holstein-type electron-phonon coupling on the Cu sites. At higher doping concentration we observe the occurrence of afmon states where the holes are localized in a ring-shaped area. Inside this ring the antiferromagnetic order parameter has inverse sign with respect to the residual antifer-romagnetically ordered plane.     

Design Methodology of the Structure of Postal Express Mail Networks of Aviation Channels in China

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A NEW APPROACH FOR THE CLASSIFICATION AND ENUMERATION OF UNIQUE REACTION ROUTES AND UNIQUE OVERALL REACTIONS IN MULTIPLE CHEMICAL REACTION SYSTEMS

The methodology of response reactions (RERs) introduced earlier from thermodynamic and kinetic considerations is used in this work to develop a new algorithm for the classification and enumeration of unique/direct reaction routes (RRs) and overall reactions (ORs). According to the RERs approach, a unique set of both RRs and ORs may be generated starting from any conceivable set of linearly independent RRs and ORs. In particular, the direct ORs may be most conveniently enumerated starting from the formula matrix of the terminal species (reactants and products), i.e., without any relation to the elementary reactions comprising the detailed mechanism. Depending on the type of ORs produced by the RRs one can distinguish between two distinct types of direct RRs. Namely, one option is to define a direct RR by specifying the intermediate species that need to be eliminated. This type of RR is referred to as Milner RRs. The other option is to require the direct RRs to produce RERs, thus resulting in RRs referred to as Happel-Sellers RRs.     

FAFFA加速的PO-MM研究复杂金属载体上线天线电磁特性

本文提出了一种快速远场近似(FAFFA)加速的混合物理光学矩量法(POMM),利用FAFFA加速计算矩阵方程中的矩阵矢量积,明显提高了计算效率.对物体表面上的远场组之间的耦合作用推导出了一组简洁的计算公式,并分析了计算复杂度.复杂金属组合体上线天线输入导纳、互导纳和方向性图的计算结果与文献结果一致.利用该方法分析计算了一个舰船模型上线天线的电磁特性.数值结果表明了这种方法的正确性和工程应用中的有效性.     

Asymptotic stress intensity factor density profiles for smeared-tip method for cohesive fracture

The paper presents a computational approach and numerical data which facilitate the use of the smeared-tip method for cohesive fracture in large enough structures. In the recently developed K-version of the smeared tip method, the large-size asymptotic profile of the stress intensity factor density along a cohesive crack is considered as a material characteristic, which is uniquely related to the softening stress-displacement law of the cohesive crack. After reviewing the K-version, an accurate and efficient numerical algorithm for the computation of this asymptotic profile is presented. The algorithm is based on solving a singular Abel's integral equation. The profiles corresponding to various typical softening stress-displacement laws of the cohesive crack model are computed, tabulated and plotted. The profiles for a certain range of other typical softening laws can be approximately obtained by interpolation from the tables. Knowing the profile, one can obtain with the smeared-tip method an analytical expression for the large-size solution to fracture problems, including the first two asymptotic terms of the size effect law. Consequently, numerical solutions of the integral equations of the cohesive crack model as well as finite element simulations of the cohesive crack are made superfluous. However, when the fracture process zone is attached to a notch or to the body surface and the cohesive zone ends with a stress jump, the solution is expected to be accurate only for large-enough structures.     

最大重迭对称性分子轨道和分子几何参数计算

建立了AMl级别的最大重迭对称性分子轨道计算方案(MOSMO)。采用通常的半经验分子轨道方法AMl级别中完全相同的参数，计算了各种分子的几何参数等。所得计算结果与实验值及HF／6-31G*从头算方法计算结果相符，说明提出的计算方案是可行的。同时，由于提出的计算方案过程简单，更易推广使用到从头算方法难以解决的大分子体系和超分子体系的结构和性质研究。     

Step response classification for model-based autotuning via polygonal curve approximation

A model-based autotuning method consists of an identification and a regulator tuning phase. To achieve satisfactory performance and robustness, it is advisable that both phases be tailored a priori to the characteristics of the observed process dynamics. Such characteristics include, but are not limited to, the model structure. For example, overdamped and underdamped models with the same pole-zero structure are parametrised and controlled in different ways. Step response data, that are typically used for the identification phase in the autotuning context, can also be pre-processed to reveal those characteristics. This paper presents a step response classification method suitable for the above purpose. The method is based on a polygonal curve approximation technique for data pre-processing, followed by a neural network classifier. Only normalised I/O data are employed, so that the neural network can be trained off-line with simulated data. Simulation results are reported to show the effectiveness of the proposed classification method in terms of the achievable tuning results.     

Modelling diffusion-controlled kinetics in equilibrium and driven alloys

Summary We introduce a very simple model for thermally activated atomic migration on a lattice, and several techniques to handle it. For thermodynamical systems, the model can be used for simulating decomposition paths taking into account relevant metallurgical features. Close to equilibrium, the simplest mean-field approximation of the model can be linearized with respect to the departure from equilibrium; one then gets a microscopic interpretation of classical phenomenological coefficients, such as mobility, interfacial transfer coefficient, rate constants for the coupled relaxation of concentration and order fields. Further away from the equilibrium, the nonlinearities can be taken into account in a consistent way. For driven alloys, i.e. alloys submitted to external forcing, forced atomic migration is added to the model and new features emerge: the model is supported by several experimental results some of which confirmed its predictions a posteriori.     

强激光大气传输热晕方程的积分表示

基于菲涅耳 基尔霍夫近似，运用格林函数方法导出了热晕方程的积分表达式，并以连续波(CW)稳态热晕为例进行了数值计算和讨论，结果表明我们所采用的方法是可行的。众所周知的菲涅耳 基尔霍夫衍射积分则是我们所得积分表达的一个特例。