质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

ESPI solution for non-contacting MEMS-on-wafer testing

Rapid progress in the field of micro-electro-mechanical systems (MEMS) makes the development of appropriate measuring and testing means timely. Characterizing the mechanical properties of MEMS structures at a very early stage of manufacturing is a challenging task for quality assurance in this field. The paper describes a new solution that is based upon the vibration analysis of the microparts. The nanometer amplitudes are detected by advanced electronic speckle pattern interferometry (ESPI). A specific signal processing technique has been applied to make the solution robust. Comprehensive numerical simulations provide the theoretical base for the HNDT concept. A laboratory system for 4″ wafer has been built, and extensive tests show that such key properties as e.g. the thickness of springs or membranes can be determined exactly. Automated frequency scanning and corresponding digital image processing open the way to reliable and fast industrial systems for MEMS testing on wafer level.     

Railway wheel fault diagnosis using a fuzzy-logic method

A simple method for diagnosis of railway wheel defects using fuzzy-logic is proposed. The method is based on vibration measurements at different train speeds on healthy wheels and wheels with defects known a priori. The measured vibrations are statistically analyzed and confidence intervals for healthy and defective wheels depending on train speed and frequency of analysis are established. To facilitate the implementation of the method a fuzzy-logic is adopted. The fuzzy-logic model stores the obtained experience in a database and performs the decision making on damage extent and consequently the need of preventive maintenance. In view of the obtained results, the advantages and the limitations of the proposed approach as well as suggestions for further improvements are presented and discussed.     

Vibration analysis of a beam with PCLD Patch

An analytical approach for vibration response analysis of a beam with single passive constrained layer damping (PCLD) patch is presented. The governing equation of motion of the beam is firstly derived on the basis of an energy approach and the Lagrange equation. The noval contribution is that a third admissible function is introduced to represent the longitudinal displacements of the constraining layer in the PCLD patch when the assumed-modes method is applied for discretizing the governing equation. In conventional analytical approaches, only two admissible functions are used together with a longitudinal static equilibrium equation of a section of base beam or constraining layer. Comparison of the computational results from the proposed analytical approach and the conventional analytical approach as well as a commercial FEM code reveals that the proposed analytical approach can describe the vibration responses of the damped beam more accurately for commonly used viscoelastic material (VEM) layer in the PCLD patch while the conventional analytical approach, in general, overestimates the damping effects of the PCLD patch. The advantages and disadvantages of the proposed analytical approach and conventional analytical approach are discussed through some case studies.     

Analysis of end point vibrations of a two-link manipulator by integrated CAD/CAE procedures

In this work, the effect of flexibility on the trajectory of a planar two-link manipulator is studied using integrated computer-aided design/analysis (CAD/CAE) procedures. The solid models and finite element models of the parts of the manipulator are created by using the CAD/CAE software I-DEAS. The assembly is defined, and knowing the payload and the end point trajectory, the velocities and accelerations of the parts, joint forces and driving torques are calculated using the rigid body dynamics. All the time dependent nodal forces acting on the parts including distributed gravity and inertia forces are created in files with the I-DEAS program file format. The finite element vibration analysis of the parts is performed by I-DEAS. The end point vibrations and the deviations from the rigid-body trajectory are analyzed for different types of end point acceleration curves. A circular trajectory is considered as an example. It is observed that the precision of the manipulator can be increased by testing different end point acceleration curves without changing the trajectory and the duration of the end point work. The procedure explained in this work can be used for this purpose successfully.     

基于简化的应变梯度理论下Kirchhoff板模型边值问题的提法及其应用北大核心CSCD

考虑应变梯度和速度梯度的影响,建立薄板控制微分方程及给出其边值问题的提法,修正了前人给出的薄板角点条件.采用Levy法,给出受分布力作用下简支板的挠度及自由振动频率的解析解.通过与文献中分子动力学数据对比,验证了该文模型的有效性并提出校核材料参数的一种方法.研究结果表明,增大弹性地基和应变梯度参数可以有效提高板的等效刚度,而速度梯度参数则相反.该文提出的板的边值问题为研究薄板在复杂支撑边界及外荷载等条件提供了理论依据.同时,有望为其有限元法、有限差分法和基于能量原理的Galerkin法等数值方法提供理论依据.     

Quasi-localized vibrations and phonon damping in glasses

There is ample evidence both from computer simulation and experiments that the structural disorder characterizing glasses and amorphous materials leads to quasi-localized vibrations (QLVs). The effect of these modes on low temperature properties such as heat capacity and conduction or tunnelling can be calculated in the framework of the soft potential model. Recently it has been shown that this concept can be extended to describe the boson peak (BP). By interaction, the density of states of the QLVs is changed to a characteristic shape corresponding to the boson peak in inelastic scattering. The QLVs interact with the sound waves and dampen them. We show that resonant scattering between QLVs and sound waves can describe the strong damping observed experimentally.     

局域共振单元与薄膜复合声子晶体板结构的低频降噪

提出了一种局域共振单元复合声子晶体板结构,并结合有限元对晶体板结构的带隙特性、隔声性能进行了分析.结果表明,共振带隙的产生是由共振单元与板中传播的弹性波相互耦合造成的,耦合强度直接影响共振频率和带隙宽度,隔声效果与薄膜的厚度直接相关.通过改变薄膜的厚度可以将隔声效果调节到满足机舱飞行员正常驾驶的要求.该结构在200dB以下具有良好的隔振效果,最大隔声量达到150dB.该研究为获得良好的隔声效果提供了理论支持,在航空发动机减振降噪方面具有潜在的应用前景.     

振动谱学研究中的光谱线型函数

本文讨论了在振动谱带计算拟合处理中的光谱线型函数问题,推导出适用于单道及多道拉曼光谱仪及色散型红外谱仪谱带线型公式。通过实验及拟合计算证实了它们的适用性并讨论了可能的误差源。理论计算和实验验证结果说明:在振动谱的谱带拟合计算中,应使用根据测谱条件计算求得的谱带线型函数,以保证拟合结果的可靠性。     

Geometrically qualified ESPI vibration analysis of an engine

This paper presents an application in the automotive industry where a combination of electronic speckle-pattern interferometry and laser doppler velocimetry were used at a critical stage in the design process of an internal combustion engine. Combined deformation and surface relief measurements were used to study the phase and amplitude of deformation of a vibrating engine. The relief data was combined with the interferometer geometry and used to geometrically correct the deformation data, in an effort to improve accuracy. The measurements allowed rapid identification and quantification of design weaknesses, particularly those causing undesirable resonances. This led to a significant reduction in the design time and lowering of costs, when compared with existing design optimisation methods.