Time domain simulation of vortex-induced vibrations in stationary and oscillating flows

This paper focuses on the further development of a previously published semi-empirical method for time domain simulation of vortex-induced vibrations (VIV). A new hydrodynamic damping formulation is given, and the necessary coefficients are found from experimental data. It is shown that the new model predicts the observed hydrodynamic damping in still water and for cross-flow oscillations in stationary incoming flow with high accuracy. Next, the excitation force model, which is one component of the total hydrodynamic force model, is optimized by simulating the VIV response of an elastic cylinder in a series of experiments with stationary flow. The optimization is performed by repeating the simulations until the best possible agreement with the experiments is found. The optimized model is then applied to simulate the cross-flow VIV of an elastic cylinder in oscillating flow, without introducing any changes to the hydrodynamic force modeling. By comparison with experiment, it is shown that the model predicts the frequency content, mode and amplitude of vibration with a high level of realism, and the amplitude modulations occurring at high Keulegan–Carpenter numbers are well captured. The model is also utilized to investigate the effect of increasing the maximum reduced velocity and the mass ratio of the elastic cylinder in oscillating flow. Simulations show that complex response patterns with multiple modes and frequencies appear when the maximum reduced velocity is increased. If, however, the mass ratio is increased by a factor of 5, a single mode dominates. This illustrates that, in oscillating flows, the mass ratio is important in determining the mode participation at high maximum reduced velocities.     

Dynamical instability of laminated plates with external cutout

A method to study dynamical instability and non-linear parametric vibrations of symmetrically laminated plates of complex shapes and having different cutouts is proposed. The first-order shear deformation theory (FSDT) and the classical plate theory (CPT) are used to formulate a mathematical statement of the given problem. The presence of cutouts essentially complicates the solution of buckling problem, since the stress field is non-uniform. At first, a plane stress analysis is carried out using the variational Ritz method and the R-functions theory. The obtained results are applied to investigate buckling and parametric vibrations of laminated plates. The developed method uses the R-functions theory, and it may be directly employed to study laminated plates of arbitrary forms and different boundary conditions. Besides, the proposed method is numerical-analytical, what greatly facilitates a solution of similar-like non-linear problems. In order to show the advantage of the developed approach, instability zones and response curves for the layered cross- and angle-ply plates with external cutouts are constructed and discussed.     

Development and validation of high-performance liquid chromatography method for analysis of β-CCT and its related substances

Compound 2β-carbomethoxy-3β-(4-chlorophenyl)tropane (β-CCT) is a key intermediate for the synthesis of some clinical dopamine transporter (DAT) imaging agents. Potential impurities from synthesis process of β-CCT and degradation during storage might have detrimental effect on the final imaging agents. Thus, it is necessary to guarantee the quality of β-CCT. In this study, a rapid, sensitive and accurate high-performance liquid chromatography (HPLC) method was developed and validated for the analysis of β-CCT and its related substances. The chromatographic separation was achieved on a reverse-phase phenomenex? Gemini C18 column with an isocratic mobile phase consisted of methanol, water and TFA (30:70:0.1 v/v/v). The flow rate was 1.0 mL/min at 30 °C and samples were monitored at 220 nm. The method was validated concerning system suitability, linearity, accuracy, precision, specificity, robustness and stability. The limit of detection (LOD) and the limit of quantification (LOQ) of β-CCT were 0.5 and 1.5 μg/mL, respectively. The linearity range of β-CCT was 1.5–450 μg/mL with a good linear correlation coefficient (R² = 0.9999) between the peak response and concentration. Specificity investigation through forced degradation experiments displayed that β-CCT was stable in acidic, thermal and photolytic degradation conditions, but significantly unstable in alkaline and oxidative conditions. With the developed chromatographic method, possible impurity α-CCT from synthetic process and potential degradation products could be well separated from β-CCT. Good recovery and precision were manifested in the assay method. These results indicated that the present method would be suitable for not only the quality assurance of β-CCT in regular production sample assays but also the monitoring and determination of its related substances.     

Harvesting vibrations via 3D phononic isolators

We report on the existence of unidirectional phononic band gaps that may span over extended regions of the Brillouin zone and can find application in trapping elastic (acoustic) waves in properly designed multilayered 3D structures. Phononic isolators operate as a result of asymmetrical wave transmission through a slab of a crystallographic phononic structure with broken mirror symmetry. Due to the use of lossless materials in the crystal, the absorption rate is dramatically enhanced when the proposed isolator is placed next to a vibrational harvesting cell.     

Nonlocal three-dimensional theory of elasticity with application to free vibration of functionally graded nanoplates on elastic foundations

In the present work, a three-dimensional (3D) elastic plate model capturing the small scale effects is developed for the free vibration of functionally graded (FG) nanoplates resting on elastic foundations. The theoretical model is formulated employing the nonlocal differential constitutive relations of Eringen in conjunction with the 3D equations of motion of elasticity.The material properties are assumed to vary continuously along the thickness of the nanoplate in accordance with the power law formulation. Through extending the generalized differential quadrature (GDQ) method to the three-dimensional case, the governing equations are simultaneously discretized in every three coordinate directions and are then recast to the standard form of an eigen value problem. Solving the acquired problem, the natural frequencies of the nanoplates with different boundary conditions are calculated. The convergence behavior of the numerical results is checked out and comparison studies are conducted to make sure of the accuracy and reliability of the present model. Finally, the dependence of the vibration behavior of the nanoplate on edge conditions, elastic coefficients of the foundation, scale coefficient, mode number, material and geometric parameters are discussed.     

Investigating the effect of interphase and surrounding resin on carbon nanotube free vibration behavior

The free vibration analysis of a carbon nanotube (CNT) embedded in a volume element is performed using 3D finite element (FE) and analytical models. Three approaches consist of molecular and continuum mechanics FE methods and continuum analytical method are employed to simulate the CNT, interphase region and surrounding matrix. The bonding between CNT and polymer is treated as non-perfect bonding using van der Waals and triple phase material interaction in first and second approaches. In analytical approach a perfect bonding is assumed between nanotube and matrix. First, natural frequencies of CNT under different boundary conditions and aspect ratios are obtained by three approaches and the results are compared with published data. The results show the frequency response variations of CNT in GHz to THz range. Subsequently, vibration behaviors of CNT/polymer are evaluated and the results revealed the importance of interphase region role in the performance of nanocomposites. The results also showed the convergence of the natural frequencies for 1–2.5% of CNT volume in high aspect ratios using three methods, so that the interphase effects is negligible. In addition, it is observed that the molecular method due to interphase role has proper performance in vibration behavior investigation of volume elements.     

Comparative DFT study of Raman spectra of phosphorus-containing dendrimers built from thiophosphoryl,cyclotriphosphazene and phthalocyanine cores

The FT Raman spectra of the zero and first generations of phosphorus-containing dendrimers built from thiophosphoryl, cyclotriphosphazene and phthalocyanine core with terminal oxybenzaldehyde groups have been recorded and analyzed. The structural optimization and normal mode analysis were performed for dendrimers on the basis of the density functional theory (DFT). The calculated geometrical parameters, harmonic vibrational frequencies and Raman scattering activities are predicted in a good agreement with the experimental data. The experimental Raman spectra of dendrimers were interpreted by means of potential energy distribution. Relying on DFT calculations the lines of the cores, repeating units and terminal groups of dendrimers were assigned.The influence of the encirclement on the line frequencies and intensities was studied and due to the predictable, controlled and reproducible structure of dendrimers the information, usually inaccessible is obtained. The strong line at 1600 cm⁻¹ show marked changes of intensity in dependence of aldehyde (CHO) or azomethyne (CHN) substituents in the aromatic ring. The polarizabilities and lipophilicity of dendrimers were estimated.     

Damping analysis of nonwoven natural fibre-reinforced polypropylene composites used in automotive interior parts

The aim of this work is to evaluate the dynamic properties of nonwoven flax, hemp, kenaf and glass fibre-reinforced polypropylene (PP) composites. Also, the influence of some parameters, such as the type of reinforcement, the fibre/matrix weight ratio, the fibre orientation and the porosity content, on the damping behaviour of these nonwoven composites is investigated. To this end, a free flexural vibrations analysis was conducted to experimentally identify their natural frequencies and their associated loss factors. The obtained results show that the nonwoven composites reinforced by natural fibres present higher loss factors compared with those of the glass-PP composite. These interesting damping properties make these nonwoven composites very attractive for automotive applications where the dissipation of vibrations is highly requested.     

On the Role of Symmetry in Vibrational Strong Coupling: The Case of Charge‐Transfer Complexation

It is well known that symmetry plays a key role in chemical reactivity. Here we explore its role in vibrational strong coupling (VSC) for a charge‐transfer (CT) complexation reaction. By studying the trimethylated‐benzene–I₂ CT complex, we find that VSC induces large changes in the equilibrium constant K_DA of the CT complex, reflecting modifications in the ΔG° value of the reaction. Furthermore, by tuning the microfluidic cavity modes to the different IR vibrations of the trimethylated benzene, ΔG° either increases or decreases depending only on the symmetry of the normal mode that is coupled. This result reveals the critical role of symmetry in VSC and, in turn, provides an explanation for why the magnitude of chemical changes induced by VSC are much greater than the Rabi splitting, that is, the energy perturbation caused by VSC. These findings further confirm that VSC is powerful and versatile tool for the molecular sciences.     

甲烷部分氧化过程中强制振荡的动力学Monte Carlo模拟

为了有效控制动力学振荡行为以提高反应的转化率, 利用Monte Carlo 方法研究了甲烷催化部分氧化过程中的强制振荡行为, 探讨了原料气周期性变化对振荡动力学和转化率的影响. 研究表明原料气周期性变化不仅可以有效调控振荡的动力学行为, 产生如短周期振荡和双峰振荡等特殊动力学过程, 而且还可以提高反应的转化率. 当强制过程的周期从T/3 增大到2T(T为自发振荡过程的平均周期), 振荡过程从短周期振荡变化为双峰振荡. 对反应过程中CO的转化率进行了计算, 结果表明原料气周期性变化可以有效提高反应的转化率.振荡动力学的改变和转化率的提高主要是因为强制振荡过程使得催化剂表面发生了从氧化态向还原态的转变.