Electrical properties of polypyrrole/p‐InP structure

The polypyrrole/p‐InP structure has been fabricated by the electrochemical polymerization of the organic polypyrrole onto the p‐InP substrate. The current–voltage (I–V), capacitance–voltage (C–V), and capacitance–frequency (C–f) characteristics of the PPy/p‐InP structure have been determined at room temperature. The structure showed nonideal I–V behavior with the ideality factor and the barrier height 1.48 and 0.69 eV respectively. C–f measurements of the structure have been carried out using the Schottky capacitance spectroscopy technique and it has been seen that there is a good agreement between the experimental and theoretical values. Also, it has been seen that capacitance almost show a plateau up to a certain value of frequency, after which, the capacitance decreases. The higher values of capacitance at low frequencies were attributed to the excess capacitance resulting from the interface states in equilibrium with the p‐InP that can follow the a.c. signal. The interface state density N_ss and relaxation time τ of the structure were determined from C–f characteristics. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1572–1579, 2006     

一维量子反铁磁链格点自旋对易关系与广义拉氏表示

以晶格自旋体系的Heisenberg模型为依据，计算了大s的极限情况下，一维量子反铁磁链转动生成元l与Neel矢量间的对易关系，求出了以广义坐标和广义动量形式表示的格点自旋间的拉氏函数密度表示。     

G-X5CrNi13.4不锈钢水斗现场检测方法

针对国内水头最高的水电站——西藏羊卓雍湖抽水蓄能电站4^#机水斗断裂事故，开展了在役机组水斗检测方法的研究，对照各种检测方法的差异，找出了最为有效的检测手段。     

A reply to “a comment on generalized electromagnetism and Dirac algebra”

Issues raised by W. A. Rodrigues, Jr. are discussed.1. This is not a new result; see,e.g., Rohrlich.⁽³⁾ 2. A typographical error in Eq. (77) is corrected here: The productj A in the right-hand parentheses was erroneously transcribed in Ref. (2) as A.3. I define electromagnetic fieldF = A to be that generated by electric charges and the magnetoelectric fieldG = M to be that generated by magnetic monopoles:F F +₅ G. 4. Rodrigues, on the other hand, takes the position that the importance of the Lagrangian formulation should be downgraded if not discarded altogether: ... it is redundant to look for Lagrangians.⁽¹⁾ 5. In fact, he reformulates it using the language of differential forms.6. It is interesting to observe that this bilinear form has the additional virtue of being appropriate for dealing with the monopolecharge parity question, which was pointed out long ago.⁽¹⁴⁾ 7. In fact, even mathematics looks to Nature for its authority.⁽¹⁶⁾ There is evidence that Rodrigues does not understand this concept.⁽¹⁷⁾     

Freezing temperatures and densities of solutions of some hydrocarbons and sodium oleate inN-methylacetamide. Evidence for a solvophobic interaction

The freezing temperatures and densities (at 31°C) of solutions of octane, nonane, decane, 3,3-diethylpentane, and sodium oleate inN-methylacetamide (NMA) have been measured. The molality of the freezing solution was calculated from the density. The solubilities of octane, nonane, and decane inN-methylacetamide are also reported. Apparent molal volumes calculated from the densities are close to the values in the pure hydrocarbons and are not strong functions of the concentration. This indicates the absence of any unusual packing effect. The calculated free energies of transfer of the hydrocarbons from pure hydrocarbon to NMA solution are much less negative than the corresponding values for water, showing that the bulk solvophobic interaction inN-methylacetamide is smaller than in water. This is consistent with the freezing temperatures of sodium oleate which show that micelles do not form below 0.1 mole-kg^–1. The osmotic coefficients of the hydrocarbons calculated from the freezing temperatures showed negative deviations from ideality that were larger for the hydrocarbons with the higher molecular weights. Two estimates of the pairwise solvophobic interaction inN-methylacetamide indicate that it is also smaller than in water. The solvophobic effect in this solvent does not include the large entropy and enthalpy effects found in aqueous solutions.     

配位聚合物{[MnL][FeⅡFeⅢ(ox)3·1.5H2O]}∞的合成及其磁学性质

合成和表征了一种新的Schiff碱配合物MnL(ClO4)*3H2O(1)(其中L为n(水杨醛)∶n(二乙撑三胺)=1∶1缩合而成的Schiff碱).1与FeSO4*7H2O和K3[Fe(ox)3]*3H2O(ox=oxalate)进一步反应,生成了双金属层状配位聚合物{[MnL][FeⅡFeⅢ(ox)3]*1.5H2O}∞(2).IR和Mssbauer谱测定结果表明,2具有二维层状结构,其阴离子层由[FeⅡFeⅢ(ox)3]-单元构成.变温磁化率(5K～100K)测试结果表明,2中的自旋载体之间存在反铁磁交换作用.5K时的磁滞现象表明2在低温时可能存在铁磁有序,这可能是亚铁磁或自旋倾斜造成的.     

Spin Density Distribution in 2,4,6-Triphenylphenoxyl

The distribution of the unpaired electron over the oxygen and the 24 carbon atoms in the free 2,4,6-triphenylphenoxy radical was determined by electron spin resonance spectroscopy and quantum-mechanical approximation methods. The hyperfine splitting was evaluated with the aid of the spectra of triphenylphenoxyls deuterated in some or all of the substituent phenyl groups. The results of the quantum-mechanical approximations were checked by recording the ESR spectra of triphenylphenoxyls labeled with ¹³C in positions 1,2,3, or 4 of the central ring. The spin density distribution permits a first discussion of the ¹⁷O-coupling constants of correspondingly labeled triphenylphenoxyl and other organic free radicals.     

Comparison of the Hartree-Fock,Møller-Plesset,and Hartree-Fock-Slater method with respect to electrostatic properties of small molecules

Summary The results of various quantum chemical calculations, the Hartree-Fock (HF) method, the Møller-Plesset perturbation theory (MP2), and the Hartree-Fock-Slater (HFS) method are compared. Atomic charges, dipole moments, topological properties of the electron density distribution and polarizabilities, and first hyperpolarizabilities are calculated. Atomic charges obtained with the HFS method are found to be very close to those calculated with the MP2 method, from which we conclude that the HFS method describes to some extent electron correlation effects. Performing an MP2 calculation after an HF calculation improves the molecular dipole moments considerably, yielding values close to the experimental ones. HFS calculations are computationally less demanding than MP2 and yield comparable results for the electron density distributions, dipole moments and polarizabilities.     

基于PSO磁悬浮球系统自适应灰预测控制

目的 针对磁悬浮球系统非线性不稳定和滞后性的问题,提出一种基于粒子群优化的自适应灰色预测 PID (Proportion Integration Differentiation)复合控制策略。 方法 通过在 PID 控制模块的反馈环中引入具有等维新息特征的灰色预测器,对系统误差进行及时反馈修正,以提高控制系统的响应速度和鲁棒性;同时,融合粒子群智能算 法对控制器参数迭代优化,以提高控制系统控制精度和抗干扰能力;最后,在 MATLAB / Simulink 环境下搭建仿真 平台进行对比实验。 结果 验证基于粒子群优化的自适应灰预测控制系统模型的超调量、峰值时间、调节时间显著 改善。 结论 证实该策略可以有效抑制系统滞后性,具有良好的稳定性和鲁棒性。