DFT study on the intermolecular interactions between Aun (n = 2–4) and thymine

Density functional B3LYP method with 6-31++G** basis set is applied to optimize the geometries of the luteolin, water and luteolin–(H₂O)_n complexes. The vibrational frequencies are also studied at the same level to analyze these complexes. We obtained four steady luteolin–H₂O, nine steady luteolin–(H₂O)₂ and ten steady luteolin–(H₂O)₃, respectively. Theories of atoms in molecules (AIM) and natural bond orbital (NBO) are used to investigate the hydrogen bonds involved in all the systems. The interaction energies of all the complexes corrected by basis set superposition error, are within −13.7 to −82.5 kJ/mol. The strong hydrogen bonding mainly contribute to the interaction energies, Natural bond orbital analysis is performed to reveal the origin of the interaction. All calculations also indicate that there are strong hydrogen bonding interactions in luteolin–(H₂O)_n complexes. The OH stretching modes of complexes are red-shifted relative to those of the monomer.     

求解水中加肋板声辐射特性的虚拟声源法*

发展一种利用虚拟声源离散声场的方法求解加肋板在水中的声振耦合问题。由波叠加原理和单元体积速度匹配的原则,根据离散的结构单元满足的动力方程和结构与介质的交界相容性条件,确定虚拟声源强度,计算结构的声辐射功率。本文以简支矩形加肋板为例,在不获得结构表面振速和声压的情况下,计算了结构在水中的声辐射功率,并与解析方法计算的结果进行了比较,表明了该方法具有较好的计算精度。     

Superposition rules, lie theorem, and partial differential equations

A rigorous geometric proof of the Lie theorem on nonlinear superposition rules for solutions of nonautonomous ordinary differential equations is given filling in all the gaps present in the existing literature. The proof is based on an alternative but equivalent definition of a superposition rule: it is considered as a foliation with some suitable properties. The problem of uniqueness of the superposition function is solved, the key point being the codimension of the foliation constructed from the given Lie algebra of vector fields. Finally, as a more convincing argument supporting the use of this alternative definition of superposition rule, it is shown that this definition allows an immediate generalization of the Lie theorem for the case of systems of partial differential equations.     

Superpositioned dielectrophoresis for enhanced trapping efficiency

One of the major applications for dielectrophoresis is selective trapping and fractionation of particles. If the surrounding medium is of low conductivity, the trapping force is high, but if the conductivity increases, the attraction decreases and may even become negative. However, high-conductivity media are essential when working with biological material such as living cells. In this paper, some basic calculations have been performed, and a model has been developed which employs both positive and negative dielectrophoresis in a channel with interdigitated electrodes. The finite element method was utilized to predict the trajectories of Escherichia coli bacteria in the superpositioned electrical fields. It is shown that a drastic improvement of trapping efficiency can be obtained in this way, when a high conductivity medium is employed.     

多模虚共轭相干态与多模真空态组成的叠加态光场的等阶N次方H压缩

构造了由多模虚共轭相干态|{iZ_j^*}〉_q与多模真空态|{0_j}〉_q两者的线性叠加所组成的两态叠加多模叠加态光场|{Ψ_q⁽²⁾}〉_q.利用多模压缩态理论,首次对该态的等阶N次方H压缩特性进行了详细研究.结果发现:态|{Ψ_q⁽²⁾}〉_q是一种典型的多模非经典光场,它可呈现出周期性变化的、任意阶的等阶N次方H压缩效应.     

Thermomechanical analysis of a toughened thermosetting system

The experimental results of viscoelastic mechanical tests, at five different levels of conversion, are reported for a thermoset composite matrix system toughened with an appropriate percentage of a thermoplastic polymer. The results from static tests are used to construct the master curves at a specific degree of cure, while the shift factors are compared with the corresponding values from dynamic experiments in order to assess the validity of the time-temperature superposition for each conversion. Neat resin plates were cured accurately, according to the full kinetics model for a dynamic and isothermal temperature regime; the conversion gradient in the plane and across the thickness of the plates was assessed by a thermal analysis of samples taken from different locations before extracting the samples from them. The viscoelastic behaviour of the resin matrix showed a sensible difference in the relaxation time spectrum upon conversion according to the provisional trend of mobility theory; a higher conversion induced a horizontal shift of the principal relaxation time for each level of conversion, which could be related very well to the glass transition at the same conversion. Good results were also obtained for the ultimate modulus of the resin at a temperature just before the onset of the co-curing phase for partially cured samples. Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 44, No. 2, pp. 265–278, March–April, 2008.     

Rotational superposition and least squares: the SVD and quaternions approaches yield identical results. Reply to the preceding comment by G. Kneller

We clarify once again that Kabsch's method and the Quaternion method are mathematically equivalent methods, that is, that they contain identical information and, when properly understood and applied, lead to identical answers to any questions regarding least-squares rotational superposition, either by proper rotations or by rotation-reflections. We also provide the correct bounds for the eigenvalue spectrum.     

(n+1)维双Sine-Gordon方程的新精确解

给出包含第一种椭圆方程的三角函数型辅助方程及其解的叠加公式.在一般函数变换下,借助符号计算系统Mathematica,构造了(n+1)维双sine-Gordon方程新的Jacobi椭圆函数精确解.这些解包括了行波变换下的Jacobi椭圆函数精确解、精确孤立波解和三角函数解.     

基于波叠加法的近场声全息空间分辨率增强方法

提出一种基于波叠加法的近场声全息空间分辨率增强方法. 该方法在波叠加法的基础上,利用全息面声压信号求得布置在全息面附近的虚源面上的简单源源强,再根据求得的简单源源强实现对全息面声压的插值,进而利用插值后的全息面声压数据进行重建. 该方法可以提高近场声全息重建图像的空间分辨率,减少测量工作量,简化测量过程. 通过仿真对影响插值结果的参数进行了分析,给出了合理的选取范围;通过仿真和实验研究验证了该方法的有效性. 关键词： 波叠加法 近场声全息 空间分辨率