Stereodynamics of the Ca + HCl → CaCl + H molecular reaction imposed by the rotational-excited states of HCl

The effects of the initial rotational-excited states of the HCl molecule on the stereodynamics properties of the Ca + HCl molecular reaction are investigated using the quasiclassical trajectory theory and the analytical potential energy surface. The orientation and alignment behaviors for the rotational angular momentum of the product, along with the generalized differential cross section (PDDCS)-dependent polarization, are calculated to explore the stereodynamics properties. The initial rotational-excited states of the HCl molecule impose a remarkable effect on the vector correlation distributions, regardless of the orientation, alignment, or PDDCS. The forward, backward, and weak sideway scatterings are found in the Ca + HCl → CaCl + H molecular reaction. The results demonstrate that the initial rotational-excited state of j = 3 results in more obvious stereodynamics effects.     

Restoration of images based on subspace optimization accelerating augmented Lagrangian approach

We propose a new fast algorithm for solving a TV-based image restoration problem. Our approach is based on merging subspace optimization methods into an augmented Lagrangian method. The proposed algorithm can be seen as a variant of the ALM (Augmented Lagrangian Method), and the convergence properties are analyzed from a DRS (Douglas-Rachford splitting) viewpoint. Experiments on a set of image restoration benchmark problems show that the proposed algorithm is a strong contender for the current state of the art methods.     

Towards the global solution of the maximal correlation problem

The maximal correlation problem (MCP) aiming at optimizing correlation between sets of variables plays a very important role in many areas of statistical applications. Currently, algorithms for the general MCP stop at solutions of the multivariate eigenvalue problem for a related matrix A, which serves as a necessary condition for the global solutions of the MCP. However, the reliability of the statistical prediction in applications relies greatly on the global maximizer of the MCP, and would be significantly impacted if the solution found is a local maximizer. Towards the global solution of the MCP, we have obtained four results in the present paper. First, the sufficient and necessary condition for global optimality of the MCP when A is a positive matrix is extended to the nonnegative case. Secondly, the uniqueness of the multivariate eigenvalues in the global maxima of the MCP is proved either when there are only two sets of variables involved, or when A is nonnegative. The uniqueness of the global maximizer of the MCP for the nonnegative irreducible case is also proved. These theoretical achievements lead to our third result that if A is a nonnegative irreducible matrix, both the Horst-Jacobi algorithm and the Gauss-Seidel algorithm converge globally to the global maximizer of the MCP. Lastly, some new estimates of the multivariate eigenvalues related to the global maxima are obtained.     

添加甲醇对二甲醚/空气二阶段燃烧过程的影响

采用一维层流预混火焰模型对二甲醚/甲醇/空气预混气体的流动反应过程进行了数值模拟, 考察甲醛、甲酸等污染物的生成规律. 结果表明: 在低流速下, 添加甲醇能够改变二甲醚反应途径, 抑制二甲醚的低温氧化反应. 当添加和二甲醚等质量的甲醇时, 二甲醚几乎不发生低温氧化反应, 生成的OH自由基减少是导致其发生的主要原因. 随着甲醇添加量的增加, 甲酸排放指数EI_HCOOH迅速降低, 而甲醛排放指数EI_HCHO在少量增加后持续降低. 添加适量甲醇能够同时降低这两种污染物的排放指数.     

基于X射线脉冲星导航的模拟调制仿真源研究

为实现X射线脉冲星导航系统在地面的演示验证, 提出并设计了一种高精度X射线脉冲星仿真源. 该仿真源由模拟调制信号发生器和栅控X射线球管组成. 模拟调制信号发生器根据脉冲星标准脉冲轮廓数据和栅控球管特性曲线, 利用直接数字频率合成技术产生模拟调制信号, 加载在X射线球管控制栅极, 从而控制轰击阳极靶的高速电子数目来实现X射线的调制, 产生与脉冲星标准脉冲轮廓高吻合度的X射线光子统计分布. 在X射线脉冲星地面仿真系统中对Crab脉冲星仿真源的性能进行测试, 测试结果为: 采集脉冲轮廓与标准脉冲轮廓时域相关度和频率相关度分别达到0.9774和0.9853, 辐射流量为1. 90 ph·cm^-2·s^-1, 脉冲辐射流量与总辐射流量之比为76.15%, 脉冲半宽度为1.879 ms. 结果表明: 该仿真源具有符合度高, 成本低, 操作简单灵活, 对X 射线脉冲星导航关键技术的攻关具有重要的意义. 关键词： X射线脉冲星导航 仿真源 栅控X射线球管 直接数字频率合成     

Proximal-like contraction methods for monotone variational inequalities in a unified framework?II: general methods and numerical experiments

Approximate proximal point algorithms (abbreviated as APPAs) are classical approaches for convex optimization problems and monotone variational inequalities. In Part I of this paper (He et al. in Proximal-like contraction methods for monotone variational inequalities in a unified framework I: effective quadruplet and primary methods, 2010), we proposed a unified framework consisting of an effective quadruplet and a corresponding accepting rule. Under the framework, various existing APPAs can be grouped in the same class of methods (called primary or elementary methods) which adopt one of the geminate directions in the effective quadruplet and take the unit step size. In this paper, we extend the primary methods by using the same effective quadruplet and the accepting rule. The extended (general) contraction methods need only minor extra even negligible costs in each iteration, whereas having better properties than the primary methods in sense of the distance to the solution set. A set of matrix approximation examples as well as six other groups of numerical experiments are constructed to compare the performance between the primary (elementary) and extended (general) methods. As expected, the numerical results show the efficiency of the extended (general) methods are much better than that of the primary (elementary) ones.     

Probabilistic Teleportation of Three-Atom State via Five-Atom Cluster State

A scheme for probabilistic teleportation of an unknown three-atom entangled state via a five-atom non-maximally entangled cluster state as quantum channel is proposed. In this scheme, the sender performs two Bell state and a single-atom measurements on the atoms, the receiver can reconstruct the original state with a certain probability by introducing an auxiliary atom and operating appropriate unitary transformations and controlled-not (C-not) operations according to the sender Alice's measurement results. As a result, the probability of successful teleportation is determined by the smallest two of the coefficients'absolute values of the cluster state. The considerable advantage of our scheme is that we employ a non-maximally entangled cluster state as quantum channel in the scheme, which can greatly reduce the amount of entanglement resources and need less classical bits. If we employ a maximally entangled cluster state as quantum channel, the probabilistic teleportation scheme becomes usual teleportation, the successful probability being 100%.     

Imaging properties of a tetra wedge readout

The decoding principle of a tetra wedge anode, which is a development of the wedge and strip anode, is described. The influence of charge cloud size on decoding accuracy is studied using the Monte Carlo method. Simulation results show that the decoding error is large when the size of charge clouds collected by the anode is small. Thus, the charge clouds collected by the tetra wedge anode should reach a necessary size to ensure accurate decoding. Finally, using the ultraviolet photon counting imaging system, the linearity and the spatial resolution of the system are tested. Experimental results show that the system has a good linearity and the spatial resolution is better than 100 μm.     

薄膜的传湿性能研究

膜式全热交换器是新风节能型空调系统的重要部件.本文针对膜式全热交换器中的薄膜传湿性能进行了实验研究,在此基础上建立了二维对流扩散传质物理数学模型,并进行了数值模拟与分析,获得了温度、进口湿度、进口体积流量及工作室内下腔空气层高度对出口湿度和湿交换率的影响规律.研究表明,薄膜可以拥有很高的传湿能力,它在全热交换器中的传湿性能优于纸质材料,有望在新风节能空调以及其他相关领域上获得广泛应用.     

初始溅射粒子密度对烧蚀粒子密度和速度分布的影响

采用蒙特-卡罗(Monte Carlo)模拟方法,研究了初始溅射粒子密度对其传输中的密度和速度分布以及环境气体密度分布的影响.结果表明,随着初始溅射粒子密度增大,烧蚀粒子和环境气体高密度峰的交叠区离开靶的最大距离减小,被衬底反弹后,距靶的最小距离减小,烧蚀粒子的速度分布随初始溅射粒子密度增大而变宽,当初始溅射粒子密度大于8.33×10²⁵ m^-3时,出现速度劈裂现象.所得结论为进一步定量研究纳米晶粒的成核机理提供了基础. 关键词： Monte Carlo模拟 烧蚀粒子 密度分布 速度分布