Calculations of the vibrational frequency and isotopic shift of UF6 and U2F6

Molecular structure, vibrational frequency and infrared intensity of UF6 are investigated by using the revised Perdew Burke-Enzerhof function with the triple-zeta polarized basis set. The calculation results are in good agreement with the experimental values and indicate the existence of a stable U2F6 molecule with a multiple bonded U2 unit. The calculation results also predict that the D3d symmetry of U2F6 is more stable than D3h. The optimized geometries, vibrational frequencies, and infrared intensities are also reported for U2F6 molecules in D3d symmetry. In addition, the isotopic shift of vibrational frequencies of the two molecules under isotopic substitution of uranium atom are also investigated with the same method. The U2F6 molecule is predicted to be better than UF6 for laser uranic isotope separation.     

含分数阶Bingham模型的阻尼减振系统时滞半主动控制

针对基于磁流变液阻尼器的半主动控制系统中存在的时滞问题, 采用了一种将可控的时滞变量引入半主动控制切换条件的控制策略, 研究了考虑时滞的天棚阻尼控制切换条件对半主动阻尼减振系统的影响, 分析了含有分数阶Bingham模型的线性刚度系统在基础激励下的振动特性. 利用平均法得到了系统在含时滞半主动控制策略下主共振响应的近似解析解, 根据Lyapunov理论分析了系统的稳定性. 通过数值解验证了近似解析解的准确性, 二者具有较好的一致性. 利用近似解析解分析了固定激励频率下时滞对系统幅频响应特性的影响, 以及主共振峰值响应和共振频率随时滞变化的特性规律. 结果表明, 含时滞的半主动控制系统存在一个小时滞区间, 使得系统的振幅在主共振峰对应的频率附近低于不考虑时滞时系统的振幅, 且存在最优时滞使得系统的振幅大幅度降低; 而大时滞的引入会加剧系统的振动, 导致系统的颤振. 确定了基于分数阶Bingham模型的线性刚度系统在天棚阻尼半主动控制下的时滞选取原则, 为振动系统半主动阻尼控制中的时滞选取提供了参考.      

Absolute Orientation of Molecules with Competing Hydrophilic Head Groups at the Air/Water Interface Probed with Sum Frequency Generation Vibrational Spectroscopy

The constructive or destructive spectral interference between the molecular groups oriented up and down at the interface in the sum-frequency generation （SFG） spectra provides a direct measurement of the absolute orientation of these molecular groups. This simple approach can be employed to interrogate absolute molecular orientations other than using the complex absolute phase measurement in the SFG studies. We used the -CN group in the p-cyanophenol （PCP） molecule as the internal phase standard, and we measured the phases of the SFG fields of the -CN groups in the 3,5-dimethyl-4-hydroxy-benzonitrile （35DMHBN） and 2,6-dimethyl-4-hydroxy-benzonitrile （26DMHBN） at the air/water interface by measuring the SFG spectra of the aqueous surfaces of the mixtures of the PCP, 35DMHBN, and 26DMHBN solutions. The results showed that the 35DMHBN had its -CN group pointing into the aqueous phase; while the 26DMHBN, similar to the PCP, had its -CN group pointing away from the aqueous phase. The tilt angles of the -CN group for both the 35DMHBN and 26DMHBN molecules at the air/water interface were around 25°-45° from the interface normal. These results provided insights on the understanding of the detailed balance of the competing factors, such as solvation of the polar head groups, hydrogen bonding and hydrophobic effects, etc., on influencing the absolute molecular orientation at the air/water interface.     

High Resolution Crossed Beams Scattering Study of the F＋HD→DF＋H Reaction

Crossed beams scattering study was carried out on the F＋HD→DF＋H reaction using high- resolution H-atom Rydberg tagging time-of-flight technique. Vibrational state-resolved differential cross sections were measured, with partial rotational state resolution, at eight collision energies in the range of 2.51-5.60 kJ/mol. Experimental results indicated that the product angular distributions are predominantly backward scattered. As the collision energy increases, the backward scattered peak becomes broader gradually. Dependence of product vibration branching ratios on the collision energy was also determined. The experimental results show that the DF products are highly inverted in the vibrational state distribution and the DF （v＇=3） product is the most populated state. Furthermore, the DF （v＇=l） product has also been observed at collision energy above 3.97 kJ/mol.     

Wavelength-dependent Photodissociation Dynamics of Benzaldehyde

The ultrafast dynamics of benzaldehyde upon 260, 271, 284, and 287 nm excitations have been studied by femtosecond pinup-probe time-of-flight mass spectrometry. A bi-exponential decay component model was applied to fit the transient profiles of benzaldehyde ions and fragment ions. At the S2 origin, the first decay of the component was attributed to the internal conversion to the high vibrational levels of S1 state. Lifetimes of the first component decreased with increasing vibrational energy, due to the influence of high density of the vibrational levels. The second decay was assigned to the vibrational relaxation of the S1 whose lifetime was about 600 fs. Upon 287 nm excitation, the first decay became ultra-short （-56 fs） which was taken for the intersystem cross from S1 to T2, while the second decay component was attributed to the vibrational relaxation. The pump-probe transient of fragment was also studied with the different probe intensity at 284 nm pump.     

失谐弱耦合卫星天线结构振动分析及预测控制

为了研究弱耦合卫星天线结构的振动控制,建立了该结构的简化计算模型,并针对该模型研究了弱耦合卫星天线结构动力学性能的特殊性:结构失谐时的振动模态局部化现象;针对失谐前后的结构,采用预测控制方法进行了振动控制,并与二次线性最优控制(LQR)方法的振动抑制效果进行了对比. 仿真结果表明:弱耦合星载天线结构参数的微小失谐会导致结构振动产生明显的模态局部化;采用预测控制方法进行结构振动控制的效果明显优于LQR控制方法,且在失谐导致的模型失配时,预测控制方法对结构振动亦有较好的抑制;在进行此种结构的振动主动控制时必须考虑到结构失谐的影响.      

Vibration characteristics of FGM circular cylindrical shells filled with fluid using wave propagation approach

The vibration characteristics of a functionally graded material circular cylindrical shell filled with fluid are examined with a wave propagation approach. The shell is filled with an incompressible non-viscous fluid. Axial modal dependence is approximated by exponential functions. A theoretical study of shell vibration frequencies is analyzed for simply supported-simply supported, clamped-simply supported, and clamped-clamped boundary conditions with the fluid effect. The validity and the accuracy of the present method are confirmed by comparing the present results with those available in the literature. Good agreement is observed between the two sets of results.     

Study on magneto–elastic–plastic deformation characteristics of ferromagnetic rectangular plate with simple supports

In this paper, the magnetic-elastic-plastic deformation behavior is studied for a ferromagnetic plate with simple supports. The perturbation formula of magnetic force is first derived based on the perturbation technique, and is then applied to the analysis of deformation characteristics with emphasis laid on the analyses of modes, symmetry of deformation and influences of incident angle of applied magnetic field on the plate deformation. The theoretical analyses offer explanations why the configuration offer- romagnetic rectangular plate with simple supports under an oblique magnetic field is in-wavy type along the x-direction, and why the largest deformation of the ferromagnetic plate occurs at the incident angle of 45°for the magnetic field. A numerical code based on the finite element method is developed to simulate quantitatively behaviors of the nonlinearly coupled multi-field problem. Some characteristic curves are plotted to illustrate the magneto--elastic-plastic deflections, and to reveal how the deflections can be influenced by the incident angle of applied magnetic field. The deformation characteristics obtained from the numerical simulations are found in good agreement with the theoretical analyses.     

Tuning of band gaps for a two-dimensional piezoelectric phononic crystal with a rectangular lattice

In this paper, the elastic wave propagation in a two-dimensional piezoelectric phononic crystal is studied by considering the mechanic-electric coupling. The generalized eigenvalue equation is obtained by the relation of the mechanic and electric fields as well as the Bloch-Floquet theorem. The band structures of both the in-plane and anti-plane modes are calculated for a rectangular lattice by the planewave expansion method. The effects of the lattice constant ratio and the piezoelectricity with different filling fractions are analyzed. The results show that the largest gap width is not always obtained for a square lattice. In some situations, a rectangular lattice may generate larger gaps. The band gap characteristics are influenced obviously by the piezoelectricity with the larger lattice constant ratios and the filling fractions.