A note on the critical points of equilibrium paths in imperfect structures

In a recent work (Int. J. Solids Struct. 37 (2000) 1561) by one of the authors, an extended system for calculating critical points of equilibrium paths in imperfect structures was presented. However, the extremum nature of these points was not analyzed explicitly in that paper. In this note, we will fill in the gap and establish a sufficient condition for determining the buckling strength of imperfect structures.     

大钟拍声的调整实验

阐明大钟拍声的发生原理,并用大钟振动拍的理论模型说明拍的特性,从而控制清晰度。在实验钟上附着质量,根据附着质量位置的不同,能够改变其非对称程度,进一步调整拍频,同时用有限元分析的结果和等效圆环理论计算的结果对比。引入等效圆环理论,通过建立一个理论上带有附加质量的轴对称圆环模型,达到具有和大钟相同的振动特性。根据模型,得到在大钟特定位置附加的质量,以同时调整所需拍的清晰度和周期。在大钟多个位置进行实验,并进行有限元分析,验证了该理论的有效性。     

Computational studies on two novel energetic nitrogen‐rich compounds based on tetrazolone

Two novel energetic nitrogen‐rich compounds 1,4‐diaminotetrazol‐5‐one ( DATO ) and 1,4‐dinitrotetrazol‐5‐one ( DNTO ) were proposed first and studied by quantum chemistry method with B3LYP/6‐31G* level of theory. The optimized geometry, IR predicted spectrum and thermochemical parameters, frontier molecular orbitals and molecular electrostatic potential were calculated for inspecting the electronic structure, molecular stability and chemical reactivity. The important macroscopic properties including density, enthalpy of formation, detonation parameters and impact sensitivity have been predicted as well. As a result, two designed compounds DATO and DNTO possess positive enthalpy of formation (395.79 and 342.77 kJ/mol), impressive detonation parameters (D = 8.80 km/s, P = 33.69 GPa; D = 8.89 km/s, P = 34.98 GPa) superior to the remarkable explosive RDX, acceptable sensitivities and might be promising candidates of energetic materials. Copyright © 2015 John Wiley & Sons, Ltd.     

Theoretical kinetic study on the decomposition of 1,5‐diaminotetrazole

1,5‐Daminotetrazole (DAT) is of much interest because of the practical significance and the diversity of characteristics. The study on the decomposition pathway and the kinetics of DAT has been performed based on the quantum chemistry theory. The minimum energy path (MEP) calculation has shown that NH₂N₃ and NH₂CN are the initially detected products of DAT. And the structures of reactant, products and transition state were optimized with MP2 methods using 6‐311G** basis sets, and the energies were refined using CCSD(T)/6‐311G** levels of theory. The calculated rate constants were obtained using the conventional transition‐state theory (TST) and the canonical variational transition‐state theory (CVT) methods. The calculation results indicated that the energy barrier of decomposition reaction is 47.98 kcal mol^?1 and the variational effect is small. In addition, the rate constants and the Arrhenius experience formula of DAT decomposition have been obtained between 200 and 2500 K temperature regions. The fitted three‐parameter expressions calculated using the TST and CVT methods are (TST) and (CVT). This work may provide the theoretical support for further experimental synthesis and testing. Copyright © 2015 John Wiley & Sons, Ltd.     

Deposition of Hydrogen-Free Silicon Nitride Thin Films by Microwave ECR plasma Enhanced Magnetron Sputtering at Room Temperature

Hydrogen-free silicon nitride （SiNx） films were deposited at room temperature by microwave electron cyclotron resonance （MW-ECR） plasma enhanced unbalance magnetron sputtering system. Both Fourier-transform infrared spectroscopy and x-ray photoelectron spectroscopy are used to study the bonding type and the change of bonding structures of the silicon nitride films. The results indicate that the chemical structure and composition of SiNx films deposited by this technique depend strongly on the N2 flow rates, the stoichiometric SiNx film, which has the highest hardness of 22.9 GPa, could be obtained at lower N2 flow rate of 4 sccm.     

消磁场对纳米铁磁线磁畴壁动力学行为的影响

为了实现基于磁畴壁运动的自旋电子学装置, 掌握磁畴壁动力学行为是重要争论之一.研究了在外磁场驱动下L-型纳米铁磁线磁畴壁的动力学行为. 通过微磁学模拟,在各种外磁场的驱动下考察了纳米铁磁线磁畴壁的动力学特性; 在较强外磁场的驱动下, 在不同厚度纳米线上考察了纳米线表面消磁场对磁畴壁动力学行为的影响. 为了进一步证实消磁场对磁畴壁动力学的影响, 在垂直于纳米线表面的外磁场辅助下分析了磁畴壁的动力学行为变化. 结果表明, 随着纳米线厚度和外驱动磁场强度的增加, 增强了纳米线表面的消磁场的形成, 使得磁畴壁内部自旋结构发生周期性变化, 导致磁畴壁在纳米线上传播时出现Walker崩溃现象. 在垂直于纳米线表面的外磁场辅助下, 发现辅助磁场可以调节消磁场的强度和方向. 这意味着利用辅助磁场可以有效地控制纳米铁磁线磁畴壁的动力学行为.     

Electrical actuation of dielectric droplets by negative liquid dielectrophoresis

This paper presents an electrical actuation scheme of dielectric droplet by negative liquid dielectrophoresis. A general model of lumped parameter electromechanics for evaluating the electromechanical force acting on the droplets is established. The model reveals the influence of actuation voltage, device geometry, and dielectric parameter on the actuation force for both conductive and dielectric medium. Using this model, we compare the actuation forces for four liquid combinations in the parallel-plate geometry and predict the low voltage actuation of dielectric droplets by negative dielectrophoresis. Parallel experimental results demonstrate such electric actuation of dielectric droplets, including droplet transport, splitting, merging, and dispending. All these dielectric droplet manipulations are achieved at voltages < 100 V_rms. The frequency dependence of droplet actuation velocity in aqueous solution is discussed and the existence of surfactant molecules is believed to play an important role by realigning with the AC electric field. Finally, we present coplanar manipulation of oil and water droplets and formation of oil-in-water emulsion droplet by applying the same low voltage.     

改进教学方法提高教学效果

物理化学概念抽象,理论严谨,学生难于理解和记忆,学生普遍反映物理化学难学.本文作者通过20多年的教学实践,总结了一套较好的课堂教学方法,根据学生好奇、求知欲强、思维活跃、学习从兴趣出发的特点,充分利用物理化学内容丰富、趣味性强的特点,努力挖掘各种趣味因素,通过更新教学手段,改进教学方法,创设情境,以各种教学形式诱发、激励学生的学习兴趣与求知欲望,使他们由被动的"要我学"转变为主动的"我要学",从而搞活了教学,取得了较好的教学效果.