用预邻域系算子、预开邻域基算子和预基确定预拓扑

目的将拓扑空间的邻域系、开邻域基与基的性质和定理推广到预拓扑空间上。方法运用拓扑与格论的方法。结果得到五对完备格同构。结论将拓扑空间的邻域系、开邻域基与基的性质和定理推广到预拓扑空间上是成功的。

抽象涅米茨基算子的性质

抽象Немыцкий算子在Banach空间积分方程和微分方程的研究中占有重要地位.本文讨论了这类算子的若干重要性质,推广了某些著名的已知结果.

L-模糊集与变基幂集线性算子的有界性刻画

探讨了L-模糊有界集与变基幂集线性算子的有界性并给出了它们的一种刻画.这些结果是经典的赋范线性空间与模糊赋范线性空间中的相应结论的推广.

基于神经网络的精密运动系统宏动平台辨识

针对精密运动定位系统中宏动平台具有死区与迟滞的复合特性,提出了一种特殊的神经网络结构,将通常用于逼近光滑系统的神经网络模型改进为可以描述非光滑非线性特性的模型,在模型结构中引入一种非光滑激励函数,并引入广义梯度改进麦夸特算法,以用其对精密运动系统的含有非光滑非线性的运动特性进行建模。在所设计的神经网络中,同时也采用了扩展辩识空间方法,首先将迟滞特性的多值映射变为一一映射,而且还证明了采用完备化的算子基对辩识逼近的必要性及其扩展辩识空间的途径。实际辨识结果表明,所提出的建模方法取得了令人满意的结果。

Influence of the Electric Field on the Properties of the Bound Magnetopolaron in GaAs Semiconductor Quantum Wells

The influence of the electric field on the properties of the bound magnetopolaron in an infinite-depth GaAs semiconductor quantum well is investigated using the linear-combination operator and the unitary transformation method. The relationships between the polaron＇s ground state energy and the Coulomb bound potential, electric field, magnetic field, and well-width are derived and discussed. Our numerical results show that the absolute value of the polaron＇s ground state energy increases as the electric field and the Coulomb bound potential increase, and decreases as the well-width and the magnetic field strength increase. When the well-width is small,the quantum size effect is significant.

Bound Polaron in a Quantum Well Under an Electric Field

We conduct a theoretical study on the properties of a bound polaron in a quantum well under an electric field using linear combination operator and unitary transformation methods, which are valid in the whole range of electron-LO phonon coupling. The changing relations between the ground-state energy of the bound polaron in the quantum well and the Coulomb bound potential, the electric field strength, and the well width are derived. The numerical results show that the ground-state energy increases with the increase of the electric field strength and the Coulomb bound potential and decreases as the well width increases.

H^1()和S_(m,1)(IR)的同构

设Ｈ１（ＺＩ）为离散的Ｈａｒｄｙ空间，即Ｈ１（ＺＩ）＝｛ｙ∈ｌ１（ＺＩ）：Ｈｙ＝｛Ｈｙｊ｝∈ｌ１（ＺＩ），其中Ｈｙｊ＝ｋ≠ｊ（ｋ－ｊ）－１ｙｊ为离散的希尔伯特变换．令Ｓｍ，１（ＩＲ）表示属于Ｌ１（ＩＲ）的ｍ－１次基样条的全体．本文证得∩ｍＳｍ，１（ＩＲ）与Ｈ１（ＺＩ）同构．

IMMUNE RBF NETWORK AND ITS APPLICATION IN THE MODULATION-STYLE RECOGNITION OF RADAR SIGNALS

Based on Immune Programming(IP), a novel Radial Basis Function (RBF) networkdesigning method is proposed. Through extracting the preliminary knowledge about the widthof the basis function as the vaccine to form the immune operator, the algorithm reduces thesearching space of canonical algorithm and improves the convergence speed. The application ofthe RBF network trained with the algorithm in the modulation-style recognition of radar signalsdemonstrates that the network has a fast convergence speed with good performances.

Density functional investigation on structural and electronic properties of small bimetallic Pb_(n)Ag_(n)(n=2–12)clusters

Structural and electronic properties of PbnAgn(n=2–12)clusters were investigated by density functional theory with generalized gradient approximation at BLYP level in DMol3 program package.The optimized bimetallic PbnAgn(n=2–12)clusters were viewed as the initial structures,then,those were calculated by ab initio molecular dynamics(AIMD)to search possible global minimum energy structures of PbnAgn clusters,finally,the ground state structures of PbnAgn(n=2–12)clusters were achieved.According to the structural evolution of lowest energy structures,Ag atoms prefer gather in the central sites while Pb atoms prefer external positions in PbnAgn(n=2–12)clusters,which is in excellent agreement with experimental results from literature and the application in metallurgy.The average binding energies,HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities,chemical hardnessη,HOMO orbits,LUMO orbits and density of states of PbnAgn(n=2–12)clusters were calculated.The results indicate that the values of HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities and chemical hardnessηshow obvious odd-even oscillations when n≤5,PbnAgn(n=2–12)clusters become less chemically stable and show insulator-to-metal transition with the variation of cluster size n,PbnAgn(n≥9)cluster are good candidates to study the properties of PbAg alloys.Those can be well explained by the density of states(DOS)distributions of Pb atoms and Ag atoms between–0.5 Ha and 0.25 Ha in PbnAgn(n=2–12)clusters.

Electron bandstructure of kaolinite and its mechanism of flotation using dodecylamine as collector

The bulk electronic structure of kaolinite (001) plane was studied with quantum mechanical calculations. The CASTEP parameterization of ultrasoft pseudopotentials without core corrections was used to optimize the structure of kaolinite bulk and slab models. The results show that Fermi energy of kaolinite (001) plane is 3.05 eV, and the band gap is 4.52 eV. The partial density of states (PDOS) of kaolinite (001) plane indicates that Al-O and Si-O bonds on the mineral surface are highly polar. The oxygen atoms of hydroxyl groups in surface layer are capable of forming hydrogen bond with the head group of cationic collectors. The properties of dodecylamine (DDA) cation were also calculated by density function theory (DFT) method at B3LYP/6-31G (d) level for illuminating the flotation processes of kaolinite. Besides the electrostatic attraction, the mechanism between kaolinite and DDA is found to be hydrogen bonds under acidic condition.

DNA Imitation Model： Theory and Application

In this article there is an aim to build a realistic electronic model of this amazing molecule, this perhaps will be the basis for constructing of molecular computers. DNA molecule making the complexes with histones and other proteines, their electrostatic interaction cause the electrical polarisation and charges formation on this macromolecule, via charges DNA behavoirs are differentiated In this study analysis of signal is setting out by EWB PC simulation program and oscilloscope devices.

Mechanism and Kinetic of Free Radical Reactions for Propane Using theoretical Calculations

Quantum calculation method has been used to understand and investigate the free radical reactions of propane with hydroxyl radical in vacuum through modem quantum mechanics that is package on hyperchem 8.02 program. Optimized structures and structural reactivates have been studied through bond stability and angles using DFT calculation based on the basis set 6-31G＊. Energetic properties have been calculated like total energy, Gibbs free energy, entropy, heat of formation, and rate constant for all chemical species that＇s participate in the suggested reaction mechanism. Reaction mechanism and rate determining step had been suggested according to calculation of energy barrier values, and compares between the suggested competitive reactions for each probable reaction step. Suggested structures and the probable transition states have been studied.

Structural and Vibrational Study of PCBM

The 1-（3-methoxycarbonyl） propyl-1-phenyl-（6,6）C61 （also called PCBM） is a C60 derivative widely used as an electron-acceptor in organic solar cells. To date, all the infrared spectra reported are experimental, mainly because of the calculations needed to study these structures are highly time-consuming. In this report we address for the first time the infrared spectrum calculation of PCBM with Cs symmetry by using the PW91/dnp level as implemented in the Dmol3 code. In this calculation we have found two intense peaks in the IR spectrum, that agree fairly with the 1187 and 1787 cm^-1 measured experimentally.

Energy-Efficient Joint Content Caching and Small Base Station Activation Mechanism Design in Heterogeneous Cellular Networks

Heterogeneous cellular networks(HCNs), by introducing caching capability, has been considered as a promising technique in 5 G era, which can bring contents closer to users to reduce the transmission delay, save scarce bandwidth resource. Although many works have been done for caching in HCNs, from an energy perspective, there still exists much space to develop a more energy-efficient system when considering the fact that the majority of base stations are under-utilized in the most of the time. Therefore, in this paper, by taking the activation mechanism for the base stations into account, we study a joint caching and activation mechanism design to further improve the energy efficiency, then we formulate the optimization problem as an Integer Linear Programming problem(ILP) to maximize the system energy saving. Due to the enormous computation complexity for finding the optimal solution, we introduced a Quantum-inspired Evolutionary Algorithm(QEA) to iteratively provide the global best solution. Numerical results show that our proposed algorithm presents an excellent performance, which is far better than the strategy of only considering caching without deactivation mechanism in the actual, normal situation. We also provide performance comparison amongour QEA, random sleeping algorithm and greedy algorithm, numerical results illustrate our introduced QEA performs best in accuracy and global optimality.

Reaction Kinetics of Trans-Sobrerol and 8-p-Menthen-1,2-diol with Hydroxyl Radical in Aqueous Solution： A Combined Experimental and Theoretical Study

Trans-sobrerol （Sob） and 8-p-menthen-1,2-diol （Limo-diol） are the primary products in the atmospheric oxidation of α-pinene and limonene, respectively. Because of their low volatility, they associate more likely to the liquid particles in the atmosphere, where they are subject to the aqueous phase oxidation by the atmospheric oxidants. In this work, through experimental and theoretical study, we first provide the rate constants of Sob and Limo-diol reacting with hydroxyl radical （.OH） in aqueous solution at room temperature of 3044-3 K and 1 atm pressure, which are （3.05±0.5）×10 9 and （4.57±0.2）×10 9 L/（mol.s）, respectively. Quantum chemistry calculations have also been employed to demonstrate the solvent effect on the rate constants in aqueous phase and the calculated results agree well with the measurements. Some reaction products have been identified based on liquid chromatography combined with mass spectroscopy and theoretical calculations.

Cyclic M（S02） （M=Zn, Cd） and its Anions： Matrix Infrared Spectra and DFT Calculations

Reaction of laser ablated zinc and cadmium atoms with SO2 molecules was studied by low temperature matrix isolation infrared spectroscopy. Cyclic M（SO2） and anion M（SO2）-（M=Zn, Cd） were produced in excess argon and neon, which were identified by 34SO2 and S18O2 isotopic substitutions. The observed infrared spectra and molecular structures were confirmed by density functional theoretical calculations. Natural charge distributions indicated significant electron transfer from s orbitals of zinc or cadmium metal atom to S02 ligand and cyclic M（SO2） complexes favored ＂ion pair＂ M＋（SO2）-formation, which were trapped in low temperature matrices. In addition Zn-O or Cd-O bond in M（SO2） exhibited strong polarized covalent character. Reaction of Hg atom with SO2 was also investigated, but no reaction product was observed, due to the relativistic effect that resulted in the contraction of 6s valence shell and high ionization potential of Hg atom.

Quantum Chemistry Studies on the Free-radical Growth Mechanism of Polycyclic Arenes from Benzene Precursors

The free-radical growth mechanisms for the formation of polycyclic arenes (PCAs) were constructed based on the block unit of benzene, and were calculated by the quantum chemistry PM3 method. Two kinds of reaction paths are proposed and discussed. The calculation results show that the formation of PCAs is only controlled by the elimination of H atom from benzene, and the corresponding activation energy is 307.60 kJ·mol-1. H2 is only the ef-fluent gas in our proposed reaction mechanism, and the calculation results are in accord with the experimental facts.

Research on the mining roadway displacement forecasting based on support vector machine theory

In view of the difficulty in supporting the surrounding rocks of roadway 3-411 ofFucun Coal Mine of Zaozhuang Mining Group, a deformation forecasting model was putforward based on particle swarm optimization.The kernel function and model parameterswere optimized using particle swarm optimization.It is shown that the forecast result isvery close to the real monitoring data.Furthermore, the PSO-SVM (Particle Swarm Optimization-Support Vector Machine) model is compared with the GM(1,1) model and L-M BPnetwork model.The results show that PSO-SVM method is better in the aspect of predictionaccuracy and the PSO-SVM roadway deformation pre-diction model is feasible for thelarge deformation prediction of coal mine roadway.

Hydrogen Storage Capacity of C120 Nanocapsules： Density Functional Theory Based Treatments

The adsorption of hydrogen molecule on the external surface of pure 0120 nanocapsule and endohedrallyH2 @C120 complex has been examined using the density functional theory calculations. Several different bonding configu- rations are considered for the hydrogen molecule approaching the outer surface of the considered nanocages. It has been found that the adsorbed H2 molecule bound weakly to the outer surface of the pure C1~0 nanocapsules in agreement with the recent experimental and theoretical results while, it prefers to be adsorbed rather strongly on the side wall of the endohedrally /-/2@C120 complex. The adsorption of a single layer and bi-layer of two tt2 molecules on the most stable states of the considered H2@C120 complex appears to be feasible, although the molecules of the second layer are weakly bound. Furthermore, it is found that the formation of 100% coverage is favorable thermodynamically, which corresponds to about 20% by weight storage of 1-12 molecules. Thus, surprisingly, we arrive at the prediction that the C120 nanocapsules can be implemented as a novel material for energy storage.

关于热传导方程半离散差分格式的一个注记

本文研究了热传导方程初边值问题的半离散化差分格式直接解算法.分别从Dirichlet和Neumann边界条件出发,直接由空间差分格式导出与时间相关的一阶常微分方程组,随后通过正/余弦变换获得了原方程的半解析解,并给出了相关收敛性分析.并对中心差分格式和紧差分格式的精度差异,通过矩阵特征值理论给出了相关原因分析.另外,对于二维热传导方程初边值问题,应用矩阵张量积运算,该直接解算法可直接演变成二重正(余)弦变换.该方法由于不涉及时间上的离散,从而具有较好的计算效率.