Interparticle force and torque on rigid spheroidal particles in acoustophoresis

The movement of the particles in acoustophoresis is driven by the acoustic radiation force acting on the particles. Particles with positive contrast factor tend to agglomerate once they are pushed by the primary force to the vicinity of the pressure node. The main driving force of this agglomeration is the interparticle force. In this study, the boundary element method is used to calculate the interparticle force and torque acting on a pair of spheroidal particles. The numerical results show that the interparticle force is dominant over the primary force when the spheroids are near the pressure nodal plane, similar to the case of two spheres. On contrary, the interparticle torque is insignificant compared to the primary torque, even when the spheroids are close to each other. The results also provide a preliminary study about how biological cells, which are mostly not spherical in shape, agglomerate and orient themselves in the vicinity of the pressure node.     

港口非线性波浪耦合计算模型研究

建立了外域用差分法求解高阶Boussinesq方程、内域用边界元法求解Laplace方程的二维船 非线性波浪力时域计算的耦合模型. 研究了该类耦合模型的匹配条件、耦合求解过程和内域、 外域公共区域长度的确定. 该耦合模型计算结果与只用边界元求解Laplace方程模型的计算 结果和实验结果对比表明,该耦合模型不仅计算精度高,而且计算效率快,适用于研究较大 区域内波浪对物体的非线性作用.     

电场作用下的变焦非球面液滴微透镜

提出了一种制作变焦非球面液滴微透镜并在线检测其光学性能的新方法。在实时进行光学检测的条件下,选择光固化材料,利用电场作用操控液滴透镜的面形实现变焦,在检测到较好的透镜面形和聚焦状态时,采用紫外光固化技术使液滴透镜固化,可制作具有良好光学成像和聚焦性能的非球面微透镜。研制了紫外光固化非球面液滴微透镜制作平台及在线检测系统,实验观察并讨论了液滴透镜面形和聚焦光斑随电场作用的变化规律,成功实现了液滴透镜的变焦,并获得了良好的非球面面形和聚焦光斑,证明了用此方法制作高成像性能的非球面微透镜的可行性。     

外力作用下熊猫型保偏光纤应力双折射分析

根据光弹性理论,列出熊猫型保偏光纤内的应力方程。由于保偏光纤具有轴对称性,故可以在分析过程中略去应力的轴向分量。利用傅里叶级数展开法分析了仅存在固有热应力时熊猫型保偏光纤内的应力分布,并进一步分析了外力作用下熊猫型保偏光纤的应力分布及应力双折射随应力分布所发生的变化。利用MATLAB进行了数值模拟,给出应力双折射量B随外力的变化曲线,并讨论了随应力区参数的增大,双折射量B先减小后增大的性质。     

Fluorine Substitution of TCNQ Alters the Redox-Driven Catalytic Pathway for the Ferricyanide-Thiosulfate Reaction

Mechanistic variation in catalysis through substituent-based redox tuning is well established. Fluorination of TCNQ (TCNQ=tetracyanoquinodimethane) provides ~850 mV variation in the redox potentials of the and (n=0, 2, 4) processes. With , catalysis of the kinetically very slow ferrocyanide-thiosulfate redox reaction in aqueous solution occurs via a mechanism in which the catalyst is reduced to when reacting with which is oxidised to . Subsequently, reacts with to form and reform the catalyst, in another thermodynamically favoured process. An analogous mechanism applies with as a catalyst. In contrast, since the reaction of with is thermodynamically unfavourable, an alternative mechanism is required to explain the catalytic activity observed in this non-fluorinated system. Here, upon addition of , reduction of to occurs with concomitant oxidation of to , which then acts as the catalyst for oxidation. Thermodynamic data explain the observed differences in the catalytic mechanisms. (n=0, 4) also act as catalysts for the ferricyanide-thiosulfate reaction in aqueous solution. The present study shows that homogeneous pathways are available following addition of these dissolved materials. Previously, these (n=0, 4) coordination polymers have been regarded as insoluble in water and proposed as heterogeneous catalysts for the ferricyanide-thiosulfate reaction. Details and mechanistic differences were established using UV-visible spectrophotometry and cyclic voltammetry.     

Extending the VDPC+BCS formalism by including three-body forces

Recently, Jia proposed a formalism to apply the variational principle to a coherent-pair condensate for a two-body Hamiltonian. The present study extends this formalism by including three-body forces. The result is the same as the so-called variation after particle-number projection in the BCS case, but now, the particle number is always conserved, and the time-consuming projection is avoided. Specifically, analytical formulas of the average energy are derived along with its gradient for a three-body Hamiltonian in terms of the coherent-pair structure. Gradient vanishment is required to obtain analytical expressions for the pair structure at the energy minimum. The new algorithm iterates on these pair-structure expressions to minimize energy for a three-body Hamiltonian. The new code is numerically demonstrated when applied to realistic two-body forces and random three-body forces in large model spaces. The average energy can be minimized to practically any arbitrary precision.     

Trihydrogen Cation Helium Clusters: A New Potential Energy Surface

We present a new analytical potential energy surface (PES) for the interaction between the trihydrogen cation and a He atom, , in its electronic ground state. The proposed PES has been built as a sum of two contributions: a polarization energy term due to the electric field generated by the molecular cation at the position of the polarizable He atom, and an exchange-repulsion and dispersion interactions represented by a sum of “atom-bond” potentials between the three bonds of and the He atom. All parameters of this new PES have been chosen and fitted from data obtained from high-level ab-initio calculations. Using this new PES plus the Aziz-Slaman potential for the interaction between Helium atoms and assuming pair-wise interactions, we carry out classical Basin-Hopping (BH) global optimization, semiclassical BH with Zero Point Energy corrections, and quantum Diffusion Monte Carlo simulations. We have found the minimum energy configurations of small He clusters doped with , , with N=1–16. The study of the energies of these clusters allows us to find a pronounced anomaly for N=12, in perfect agreement with previous experimental findings, which we relate to a greater relative stability of this aggregate.