A moment method for splashing and evaporation processes of polydisperse sprays

A new moment method for the modelling of polydisperse sprays is proposed that simultaneously takes into account the dispersion in droplet size and droplet velocity. For the derivation of this Eulerian method the kinetic spray equation is used which constitutes a partial differential equation for the probability density function of droplets. To reduce the complex kinetic spray equation to a form that can be managed with the available numerical procedures, moment transforms with respect to the droplet velocity and the droplet size are conducted. The resulting moment equations are closed by choosing an approximate probability density function which applies to polydisperse sprays. The method is successfully tested for configurations in which a polydisperse spray is either splashed, evaporated or effected by a Stokes drag force. The tests are organised in such a way that crossing of two spray distributions is always included. The new method is able to capture the polydisperse nature of sprays as well as the bi-(or multi-) modal character of the droplet velocity distribution function, for example, when droplets cross each other.     

Crossing numbers of sequences of graphs II: Planar tiles

We describe a method of creating an infinite family of crossing‐critical graphs from a single small planar map, the tile, by gluing together many copies of the tile together in a circular fashion. This method yields all known infinite families of k‐crossing‐critical graphs. Furthermore, the method yields new infinite families, which extend from (4,6) to (3.5,6) the interval of rationals r for which there is, for some k, an infinite sequence of k‐crossing‐critical graphs all having average degree r. © 2003 Wiley Periodicals, Inc. J Graph Theory 42: 332–341, 2003     

Photon collider beam simulation with CAIN

The CAIN simulation program was used to study the outgoing beam profile for the photon collider at ILC. The main aim of the analysis was to verify the feasibility of the photon linear collider running with 20 mrad electron beam crossing angle. The main problem is the distorted electron beam, which has to be removed from the interaction region. It is shown that with a new design of the final dipole, it should be possible to avoid large energy losses at the face of the magnet.      

基于摇臂——转向架结构月球车的越障能力判断准则

对轮式移动系统进行越障分析时,常以垂直越障作为评价标准.但是,月球车在凹凸不平的月面上行驶时,垂直越障模型不具有一般性.为此,本文对基于摇臂-转向架结构月球车在任意路面的越障进行了研究.一般情况下,由于任意路面越障模型相对复杂,可以建立的独立平衡方程数目少于未知变量数,因此无法得到越障能力与路面参数的函数关系式.针对上述问题,文中将最大有效牵引力假设引入越障模型中,得到了一种任意路面越障能力的判断准则.通过算例分析,表明了所提方法的有效性.     

Curve crossing problem with Gaussian type coupling: analytically solvable model

We give a general method for finding an exact analytical solution for the two state curve crossing problem. The solution requires the knowledge of the Green's function for the motion on the uncoupled potentials. We use the method to find the solution of the problem in the case of parabolic potentials coupled by Gaussian interaction. Our method is applied to this model system to calculate the effect of curve crossing on the electronic absorption spectrum and the resonance Raman excitation profile.     

Recent Progress in Type I Aggregation-Induced Emission Photosensitizers for Photodynamic Therapy

In modern medicine, precision diagnosis and treatment using optical materials, such as fluorescence/photoacoustic imaging-guided photodynamic therapy (PDT), are becoming increasingly popular. Photosensitizers (PSs) are the most important component of PDT. Different from conventional PSs with planar molecular structures, which are susceptible to quenching effects caused by aggregation, the distinct advantages of AIE fluorogens open up new avenues for the development of image-guided PDT with improved treatment accuracy and efficacy in practical applications. It is critical that as much of the energy absorbed by optical materials is dissipated into the pathways required to maximize biomedical applications as possible. Intersystem crossing (ISC) represents a key step during the energy conversion process that determines many fundamental optical properties, such as increasing the efficiency of reactive oxygen species (ROS) production from PSs, thus enhancing PDT efficacy. Although some review articles have summarized the accomplishments of various optical materials in imaging and therapeutics, few of them have focused on how to improve the phototherapeutic applications, especially PDT, by adjusting the ISC process of organic optics materials. In this review, we emphasize the latest advances in the reasonable design of AIE-active PSs with type I photochemical mechanism for anticancer or antibacterial applications based on ISC modulation, as well as discuss the future prospects and challenges of them. In order to maximize the anticancer or antibacterial effects of type I AIE PSs, it is the aim of this review to offer advice for their design with the best energy conversion.     

Down/up crossing properties of weighted Markov collision processes

This paper concentrates on considering the down/up crossing property of weighted Markov collision processes. The joint probability generating function of down crossing and up crossing numbers of weighted Markov collision processes until its extinction are obtained by constructing and studying a related multi-dimensional Markov chain. Hence, the joint probability distribution of down crossing and up crossing numbers and the mean numbers are obtained.     

Spin-inversion mechanisms in the reactions of transition metal cations (Sc+, Ti+, V+, Cr+, Mn+, Fe+, Co+, Ni+, and Cu+) with OCS in the gas phase: A perspective from automated reaction path search calculations

The mechanisms including spin-inversion have been systematically studied for the M⁺ + OCS → MS⁺ + CO/MO⁺ + CS (M denotes a transition metal from Sc to Cu) ion-molecule reactions using the automated reaction path search method. We used the lowest mixed-spin potential energy surface obtained from the diagonalization of the spin-coupled Hamiltonian matrix, whose diagonal elements are taken to be the lowest two spin states. This scheme can effectively locate approximate minimum energy crossing points between the two potential energy surfaces with different spin multiplicities. The spin-orbit couplings at spin-inversion points have been calculated to understand the efficiencies of nonadiabatic transitions. The obtained reaction pathways and the calculated spin-orbit couplings are employed to interpret previous experimental studies.     

Theoretical study of some 1,3-substituted (1,3-diketonato)borondifluorides. Potential energy curve relevant to the barrier crossing reaction

Ab initio Hartree-Fock calculations utilising STO-3G, 3-21G^* and 6-31G^* basis sets have been performed on three neutral and highly polar molecules, (diformylmethine)borondifluoride, (acetylacetonato)borondifluoride and (dibenzylmethine) borondifluoride. The calculated and experimental structures are well correlated when using the HF/3-21G^* basis set, except for the structure parameters involving the boron atom. The HF/6-31G^* basis set does not improve the accuracy in structure calculations. The conformational analysis is in agreement with the experimentally observed C_2v symmetrical structures, where the boron atom is tetrahedrally coordinated. The calculations support a one-dimensional ground state barrier crossing reaction for (dibenzylmethine)borondifluoride, where the phenyl torsion is the most likely reaction coordinate. Both HF/6-31G^* calculations and the second-order Møller-Plesset correction with the 3-21G^* basis set suggest an activation energy of the ground state reaction of about 30 kJ mol⁻¹. The ground state barrier crossing reaction kinetics is evaluated by the Kramers theory. The calculated ground state parameters relevant to the barrier crossing reaction are compared with the experimentally observed excited state values.