Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored. The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of Sciences.     

Two differential equation systems for equality-constrained optimization

This paper presents two differential systems, involving first and second order derivatives of problem functions, respectively, for solving equality-constrained optimization problems. Local minimizers to the optimization problems are proved to be asymptotically stable equilibrium points of the two differential systems. First, the Euler discrete schemes with constant stepsizes for the two differential systems are presented and their convergence theorems are demonstrated. Second, we construct algorithms in which directions are computed by these two systems and the stepsizes are generated by Armijo line search to solve the original equality-constrained optimization problem. The constructed algorithms and the Runge–Kutta method are employed to solve the Euler discrete schemes and the differential equation systems, respectively. We prove that the discrete scheme based on the differential equation system with the second order information has the locally quadratic convergence rate under the local Lipschitz condition. The numerical results given here show that Runge–Kutta method has better stability and higher precision and the numerical method based on the differential equation system with the second information is faster than the other one.     

Four-wave mixing based 10-Gb/s tunable wavelength conversion in dispersion-flattened microstructure fibers

All-optical wavelength conversion of 10-Gb/s signal based on four-wave mixing is experimentally demonstrated in a 30-m-long dispersion-flattened microstructure fiber with small positive dispersion. For an average pump power of 26 dBm, the conversion efficiency was around -19.5 dB with the fluctuation less than ±1.4 dB, covering a conversion bandwidth of 20 nm. The eye diagram of the converted signal shows good eye opening.     

A floating-point genetic algorithm for solving the unit commitment problem

This paper proposes a floating-point genetic algorithm (FPGA) to solve the unit commitment problem (UCP). Based on the characteristics of typical load demand, a floating-point chromosome representation and an encoding–decoding scheme are designed to reduce the complexities in handling the minimum up/down time limits. Strategic parameters of the FPGA are characterized in detail, i.e., the evaluation function and its constraints, population size, operation styles of selection, crossover operation and probability, mutation operation and probability. A dynamic combination scheme of genetic operators is formulated to explore and exploit the FPGA in the non-convex solution space and multimodal objective function. Experiment results show that the FPGA is a more effective technique among the various styles of genetic algorithms, which can be applied to the practical scheduling tasks in utility power systems.     

物理实验"十要十不要"

一要明确实验目的、原理和步骤;不要目的不明,原理不清,做一步想一步。 二要会从多种器材中选用精度要求和量程符合的器材;不要随意选用精度和量程不符合实际要求的仪器。     

Efficiency Enhancement of Coaxial-Cavity Electron Cyclotron Resonance Maser by Tapering Guide Magnetic Field

A coaxial-cavity cyclotron resonance maser (CRM) oscillator with tapered guide magnetic field is proposed. It is shown that the transmission quality can be improved by tapering the guide magnetic field. Simulation indicates that the efficiency of a millimeter-wave gyrotron oscillator may be reached up to 38.7% by optimizing the tapered magnetic field.     

基于BP神经网络的企业未来获利能力智能综合评价

分析了相关分析——多指标综合评价法在确定企业未来获利能力方面的优点和不足 ;并在其基础上提出了基于 BP神经网络的多指标综合评价法 ;仿真试验证明了基于 BP神经网络的多指标综合评价法的有效性     

Novel aromatic polyamides bearing pendent diphenylamino or carbazolyl groups

Two new diamines, 2,4‐diaminotriphenylamine ( 3 ) and N‐(2,4‐diaminophenyl)carbazole ( 4 ), were synthesized via the cesium fluoride‐mediated aromatic substitution reactions of 1‐fluoro‐2,4‐dinitrobenzene with diphenylamine and carbazole, followed by palladium‐catalyzed hydrazine reduction. Amorphous and soluble aramids having pendent diphenylamino and carbazolyl groups were prepared by the phosphorylation polycondensation of aromatic dicarboxylic acids with diamines 3 and 4 , respectively. The aramids derived from diamine 3 had sufficiently high molecular weights to permit the casting of flexible and tough films. They exhibited excellent mechanical properties and moderately high softening temperatures in the 221–298 °C range. However, the reactions of diamine 4 with aromatic diacids gave relatively lower molecular weights products that could not afford flexible films. For a comparative purpose, the parent aramids derived from m‐phenylenediamine and aromatic diacids were also prepared and characterized. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3302–3313, 2004     

Poly(phenylene vinylene)‐based copolymers containing 3,7‐phenothiazylene and 2,6‐pyridylene chromophores: Fluorescence sensors for acids,metal ions,and oxidation

A novel copolymer, poly(N‐hexyl‐3,7‐phenothiazylene‐1,2‐ethenylene‐2,6‐pyridylene‐1,2‐ethenylene) ( P3 ), containing N‐hexyl‐3,7‐phenothiazylene and 2,6‐pyridylene chromophores was synthesized to investigate the effect of protonation, metal complexation, and chemical oxidation on its absorption and photoluminescence (PL). Poly(N‐hexyl‐3,8‐iminodibenzyl‐1,2‐ethenylene‐1,3‐phenylene‐1,2‐ethenylene) and poly(N‐hexyl‐3,7‐phenothiazylene‐1,2‐ethenylene‐1,3‐phenylene‐1,2‐ethenylene) ( P2 ), consisting of 1,3‐divinylbenzene alternated with N‐hexyl‐3,8‐iminodibenzyl and N‐hexyl‐3,7‐phenothiazylene, respectively, were also prepared for comparison. Electrochemical investigations revealed that P3 exhibited lower band gaps (2.34 eV) due to alternating donor and acceptor conjugated units (push–pull structure). The absorption and PL spectral variations of P3 were easily manipulated by protonation, metal chelation, and chemical oxidation. P3 displayed significant bathochromic shifts when protonated with trifluoroacetic acid in chloroform. The complexation of P3 with Fe³⁺ led to a significant absorption change and fluorescence quenching, and this implied the coordination of ferric ions with the 2,6‐pyridylene groups in the backbone. Moreover, both phenothiazylene‐containing P2 and P3 showed conspicuous PL quenching with a slight redshift when oxidized with NOBF₄. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 1272–1284, 2004     

One Alkenylphenol and Steroids from the Aquatic Plant Monochoria Vaginalis

Two new compounds have been isolated from the whole plant of Monochoria vaginalis and characterized as: (10Z)‐1‐(2,6‐dihydroxyphenyl)octadec‐10‐en‐1‐one ( 1 ) (20R, 24R)‐campest‐5‐ene‐3β, 4β‐diol ( 2 ) together with nine known ones. The structures of these compounds were elucidated on the basis of spectral data and chemical evidence.