Calculation of conformations and vibrational spectra of a monomeric fragment of the 2,6-carboxymethyl cellulose molecule

A theoretical conformational analysis has been carried out for the side substituents of a fragment of the molecule for 2,6-carboxymethyl cellulose (a water-soluble cellulose ether), and the frequencies and the potential energy distribution of the normal vibrations have been calculated for the most stable conformers of the ether groups of this fragment in the approximation of the molecular mechanics method. It has been shown that the most stable conformers are those that have the conformations gg, t, g⁻, g⁻, g⁻-for the groups of atoms on the bonds C5-C6, C6-O6, C13-O6, C10-C13, C10-O9 and the conformations g⁺g⁻, g⁺, g⁻, g⁻; g⁺g⁻, g⁻, g⁻, g⁻; g⁺g⁻, g⁻, g⁺, t for the groups of atoms on the bonds C2-O2, C11-O2, C7-C11, C7-O8. Comparative analysis of the calculated frequencies and the potential energy distribution of the normal vibrations for 13 of the most stable conformers showed, as in the case of the 2,6-hydroxyethyl cellulose molecule, that the frequencies and modes of the normal vibrations are highly sensitive to conformational transitions in the analyzed spectral region (800–1500 cm⁻¹). The characteristic patterns for the change in the frequencies and modes of the normal vibrations have been established in connection with conformational transitions within both side substituents. The observed conformational lability of the bulky substituents in the cellulose ether molecules and its manifestations in the vibrational spectrum provide a basis for hypothesizing that one of the major mechanisms for the process of their thermal gelation in aqueous solutions is conformational transitions within these substituents. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 1, pp. 5–15, January–February, 2007.     

Periodic orbits, damped transitions and targeted energy transfers in oscillators with vibro-impact attachments

We study complex damped and undamped dynamics and targeted energy transfers (TETs) in systems of coupled oscillators, consisting of single-degree-of-freedom primary linear oscillators (LOs) with vibro-impact attachments, acting, in essence, as vibro-impact nonlinear energy sinks (VI NESs). First, the complicated dynamics of such VI systems is demonstrated by computing the VI periodic orbits of underlying Hamiltonian systems and depicting them in appropriate frequency–energy plots (FEPs). Then, VI damped transitions and distinct ways of passive TETs from the linear oscillators to the VI attachments for various parameter ranges and initial conditions are investigated. As in the case of smooth stiffness nonlinearity [Y. Lee, G. Kerschen, A. Vakakis, P. Panagopoulos, L. Bergman, D.M. McFarland, Complicated dynamics of a linear oscillator with a light, essentially nonlinear attachment, Physica D 204 (1–2) (2005) 41–69], both fundamental and subharmonic TET can be realized in the VI systems under consideration. It is found that the most efficient mechanism for VI TET is through the excitation of highly energetic VI impulsive orbits (IOs), i.e., of periodic or quasiperiodic orbits corresponding to zero initial conditions except for the initial velocities of the linear oscillators. In contrast to NESs with smooth essential nonlinearities considered in previous works, VI NESs are capable of passively absorbing and locally dissipating significant portions of the energies of the primary systems to which they are attached, at fast time scale. This renders such devices suitable for applications, like seismic mitigation, where dissipation of vibration energy in the early, highly energetic regime of the motion is a critical requirement.     

车载摄影摄像装置图像偏移与动态几何像差的分析

对利用车载摄影摄像装置进行路面检测的检测车,由于检测车行驶时车身存在振动,其检测精度由图像偏移量与动态几何像差决定。为提高检测精度,必须确定任一时刻的图像偏移量与动态几何像差并对其进行补偿。利用刚体绕定点有限转动的欧拉定理推导了图像偏移函数与动态几何像差函数,计算了为使图像清晰而需在任一时刻对图像的偏移进行补偿的补偿量和对焦距、像面位置、透镜位置进行调整的调整量。研究为图像偏移和动态几何像差补偿的实现奠定了理论基础。     

A2B模型阻尼受迫振动方程组的通解

导出了A2B模型阻尼受迫振动方程组的通解,并讨论其算例和图像.     

超声波声孔效应中气泡动力学的研究

在超声快速制取组织细胞病理切片的过程中，发现激励信号对切片制取效果有明显的影响.为了掌握超声激励信号对组织细胞的影响规律，达到快速制取病理切片的最佳状态，从气泡空化模型入手，通过改变激励信号频率、声压、气泡初始半径和液体黏滞系数等参量，研究了声孔效应中气泡动力学激励机制.数值计算表明：空化泡振动随激励声压增强而升高，随液体黏滞系数增强而减弱；一定频率范围内空化泡振动能保持在膨胀、收缩和振荡的稳定空化状态，存在空化泡稳态振动的最佳激励频率；一定初始半径能保证空化泡产生稳定的振动，存在空化泡稳态振动幅度最大的初始半径.实际操作中，在频率、声压、初始半径和黏滞系数综合作用的若干空化阈内，声孔效应使超声快速法制取细胞组织切片获得最佳效果. 关键词： 声孔效应 超声空化 气泡振动 稳态空化域     

分子结构振动固有频率与链烷烃热力学性质的定量关系

用分子结构固有频率和分子中的甲基数作为分子结构信息指数,建立链烷烃分子结构与热力学性质的双参数QSPR模型.该模型用于18种链烷烃分子的标准生成焓、标准熵和标准生成自由能实验值的回归分析,得到相关程度大于0.999的标准生成焓、标准熵回归方程和相关程度大于0.99的标准生成自由能回归方程.所得方程用于67种链烷烃的标准生成焓、标准熵和标准生成自由能预测,结果与实验值的相关程度均大于0.9950.     

激光二极管自混合干涉和微振动的实验观测

介绍了利用LabView软件虚拟示波器和信号源,对激光二极管自混合干涉和微振动进行的实验观测.该实验可以作为本科低年级学生的综合设计实验.     

用线性插值法求单摆运动周期的近似解

利用线性插值的方法,提出了一个任意摆角条件下的单摆运动周期的近似公式.并利用Mathematica软件将该公式与精确解进行了比较,还与其他近似公式进行了对比.结果表明,该公式的近似程度相当好.     

在粗糙表面上用液晶空间光调制器进行振动测量

为实现在一段时间内连续实时观测振动物体的全息干涉图形,采用覆盖铝箔的喇叭作为振动物体,利用铝箔原有未经特殊处理表面反射的漫反射光成像,并用光寻址液晶空间光调制器(Liquid crystal-sparial lightmodulator,LC-SLM)作为全息记录载体,来实现振动测量。实验中采用时间平均干涉测量法,得到了不同振动频率下物体的干涉图形。同时在连续改变振动物体的振动频率时,可以清晰地观察到物体振动全息干涉图形的变化过程,即近实时的全息干涉图形。     

一种多频局域共振型声子晶体板的低频带隙与减振特性

设计了一种多频局域共振型声子晶体板结构, 该结构由一薄板上附加周期性排列的多个双悬臂梁式子结构而构成. 由于多个双悬臂梁式子结构的低频振动与薄板振动的相互耦合作用, 这种局域共振型板结构可产生多个低频弯曲波带隙(禁带); 带隙频率范围内的板弯曲波会被禁止传播, 利用带隙可以实现对薄板的多个目标频率处低频减振. 本文针对这种局域共振型板结构进行了简化, 并基于平面波展开法建立了其弯曲波带隙计算理论模型; 基于该模型, 结合具体算例进行了带隙特性理论分析. 设计、制备了一种存在两个低频弯曲波带隙的局域共振型板结构样件, 通过激光扫描测振仪测试证实该结构存在两个低频带隙, 在带隙频率范围的板弯曲振动被显著衰减.