反应物振动量子数对O(~1D)+HBr→OH+Br立体动力学影响的研究

采用准经典轨线(QCT)方法计算了O(1D)+HBr→OH+Br反应体系的立体动力学反应.基于由Peterson(J.Chem.Phys.113(2000)4598)等人开发的基态势能面上,计算了反应的矢量相关性质,极角p(θ)r及方位角pφ()r以及空间角pθr,φ()r.此外我们还计算了极化微分反应截面(PDDCSs)的分布各矢量性质随各振动量子数变量的变化.结果表明反应受反应物振动量子数影响较大.     

基于语义的软件服务故障自动诊断模型

模仿学习是机器人仿生机制研究的主要内容之一,即通过观察、理解、学习、模仿示教行为实现机器人的仿生特性。基于高斯过程分别表达采集离散示教信号所构成的示教轨迹和含有未知参数策略的模仿轨迹,构建模仿学习方法框架,将概率模型匹配引入到模仿学习中,以KL散度为代价函数比较两种轨迹的概率分布,运用梯度下降法寻求使KL散度最小的最优模仿控制策略,将策略应用于模仿机器人以完成与示教相同的模仿任务。以关节型机器人的机械臂摆动行为模仿为学习任务进行仿真,结果表明基于概率轨迹匹配的模仿学习方法能够实现机械臂摆动行为模仿,学习过程较传统方法简易且学习效果较好。     

O(1D)和CD4反应的准经典轨线

在新的全域势能面上, 用准经典轨线方法细致地研究了O(¹D)+CD₄多通道化学反应的动力学．这个势能面是用交换不变多项式方法基于MRC+Q/aug-cc-pVTZ从头算点拟合得到的．通过计算得到了产物OD+CD₃、D+CD₂OD/CD₃O和D₂+DCOD/D₂CO的分支比、平动能分布以及角度分布,结果显示理论与实验吻合得较好, 从而说明了这个反应的同位素取代效应很小． 研究表明,O(¹D)+CD₄反应是经过陷入的抽取机理发生的： 最初主要通过D原子的抽取,并不是之前人们认为的直接C-D键的插入形成CD3OD中间物后再进而解离成各个产物通道．     

3kA钕电解槽流场中颗粒受力分析

近年来随着NdFeB永磁的应用发展,对金属Nd质量的要求越来越高,而电解过程碳颗粒运动及溶解对金属质量的影响至关重要。通过理论与数值模拟相结合的方式对流场中不溶于电解液的碳固体颗粒的主要受力类型进行梳理,对其运动轨迹进行数值模拟研究,针对稀土电解槽进行了颗粒-流场的计算及模拟,研究发现曳力及重力是颗粒在电解槽中起主要作用的力。曳力是改变颗粒运动轨迹的影响因素,且曳力随粒径的增大而增大。0.07 mm颗粒粒径是区分主要作用力是重力还是曳力的临界值,颗粒粒径越大,越不利于电解槽得到纯净的Nd单质。对进一步改进电解槽槽型,从而得到质量更好、杂质更少的稀土金属,并对后续各物理场对颗粒的影响提供参考意义。     

Charge Transfer and Metastable Ion Dissociation of Multiply Charged Molecular Cations Observed by Using Reflectron Time-of-Flight Mass Spectrometry

A multiply charged molecule expands the range of a mass window and is utilized as a precursor to provide rich sequence coverage; however, reflectron time-of-flight mass spectrometer has not been well applied to the product ion analysis of multiply charged precursor ions. Here, we demonstrate that the range of the mass-to-charge ratio of measurable product ions is limited in the cases of multiply charged precursor ions. We choose C₆F₆ as a model molecule to investigate the reactions of multiply charged molecular cations formed in intense femtosecond laser fields. Measurements of the time-of-flight spectrum of C₆F₆ by changing the potential applied to the reflectron, combined with simulation of the ion trajectory, can identify the species detected behind the reflectron as the neutral species and/or ions formed by the collisional charge transfer. Moreover, the metastable ion dissociations of doubly and triply charged C₆F₆ are identified. The detection of product ions in this manner can diminish interference by the precursor ion. Moreover, it does not need precursor ion separation before product ion analysis. These advantages would expand the capability of mass spectrometry to obtain information about metastable ion dissociation of multiply charged species.     

一类具两条不连续相交线的平面系统的闭轨

研究了一类具两条不连续相交线的平面系统的闭轨.利用微分包含理论和点变换的方法,获得了一些有趣的结果,包括滑模解,同宿解和闭轨的存在性.同时给出了闭轨存在的必要条件.     

Time-Domain Mapping of Electromagnetic Ray Movement Inside Anisotropic Spherical Resonator

This paper presents the analytical proof of Time-Domain Mapping Method for the spherical resonator made up of uniaxial crystal. In this way, the main types of caustics inside the spherical resonator made up of uniaxial crystal, which were investigated numerically before, are confirmed analytically. It is engraved that the problem of the ray flow inside the spherical resonator can be reduced to the problem of the ray flow inside metal cavity shaped as spheroid.     

Multi-separation, centrifugality and centripetality imply chaos

Let be an interval. need not be compact or bounded. Let be a continuous map, and be a trajectory of with or . Then there is a point such that . A point is called a centripetal point of relative to if or , and is centrifugal if or . In this paper we prove that if there exist centripetal points of in , then has periodic points of some odd () period . In addition, we also prove that if ) is multi-separated by Fix(), or there exists a centrifugal point of in , then is turbulent and hence has periodic points of all periods.

     

Existence and Limiting Behavior of Trajectories Associated with P0-equations

Given a continuous P₀-function F : Rⁿ Rⁿ, we describe a method of constructing trajectories associated with the P₀-equation F(x) = 0. Various well known equation-based reformulations of the nonlinear complementarity problem and the box variational inequality problem corresponding to a continuous P₀-function lead to P₀-equations. In particular, reformulations via (a) the Fischer function for the NCP, (b) the min function for the NCP, (c) the fixed point map for a BVI, and (d) the normal map for a BVI give raise to P₀-equations when the underlying function is P₀. To generate the trajectories, we perturb the given P₀-function F to a P-function F(x, ); unique solutions of F(x, ) = 0 as varies over an interval in (0, ) then define the trajectory. We prove general results on the existence and limiting behavior of such trajectories. As special cases we study the interior point trajectory, trajectories based on the fixed point map of a BVI, trajectories based on the normal map of a BVI, and a trajectory based on the aggregate function of a vertical nonlinear complementarity problem.