A combined crossed molecular beam and quasiclassical trajectory study of the Titan-relevant N(2D) + D2O reaction

Following a recent investigation on the N(²D) + H₂O reaction [Homayoon et al., J. Phys. Chem. Lett. 5, 3508 (2014)], we report on an experimental and theoretical study of the isotopologue N(²D) + D₂O reaction. Crossed molecular beam (CMB) experiments were conducted at a collision energy of 10.3 kcal mol^–1. Quasiclassical trajectory calculations were performed on a recent potential energy surface to derive the centre-of-mass functions necessary to simulate the CMB laboratory distributions. Excellent agreement was found. The importance of the channel leading to HON/DON was confirmed. The inclusion of this channel, in addition to that leading to the isomer HNO/DNO, can affect the models considering the coupling between nitrogen and oxygen chemistry in the upper atmosphere of Titan.     

准经典轨线方法对Ca+CD3Ⅰ→CaⅠ+CD3同位素效应的动力学研究

在扩展Lond-Eyring-Polanyi-Sato(LEPS)势能面上,采用准经典轨线方法对反应Ca+CD3I→CaI+CD3进行了动力学计算,并讨论了该反应的同位素效应.在同位素效应作用下,产物CaI的振动态分布向低振动态转移,反应体系的散射截面在低碰撞能和高碰撞能处有较小的变化.同时,受到反应物的质量因子变化的影响,产物转动取向值减少,产物转动取向增强.仅有产物的角分布受同位素效应的影响不明显.     

Topography and field effects in the inner side of microvia hole using ToF‐SIMS

We have developed a simple and powerful method, which is called ‘angled sample holder method’, to characterize a topographic structured sample such as microsized via hole of ball grid array using time‐of‐flight SIMS. The diameter of via holes was 100 µm and the depth was 70 µm. To remove the shaded area by incidence primary ion beam and to extract secondary ions from the bottom of a via hole, several types of angled sample holders with compensation steering plate were applied on the basis of simulation results using SIMION code. And the analyses using angled sample holder method enabled us to characterize the bottom and side wall of a via hole in clear. Copyright © 2014 John Wiley & Sons, Ltd.     

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。     

How a moving passive observer can perceive its environment ? The Unruh effect revisited

We consider a point-like observer that moves in a medium illuminated by noise sources with Lorentz-invariant spectrum. We show that the autocorrelation function of the signal recorded by the observer allows it to perceive its environment. More precisely, we consider an observer with constant acceleration (along a Rindler trajectory) and we exploit the recent work on the emergence of the Green’s function from the cross correlation of signals transmitted by noise sources. First we recover the result that the signal recorded by the observer has a constant Wigner transform, i.e. a constant local spectrum, when the medium is homogeneous (this is the classical analogue of the Unruh effect). We complete that result by showing that the Rindler trajectory is the only straight-line trajectory that satisfies this property. We also show that, in the presence of an obstacle in the form of an infinite perfect mirror, the Wigner transform is perturbed when the observer comes into the neighborhood of the obstacle. The perturbation makes it possible for the observer to determine its position relative to the obstacle once the entire trajectory has been traversed.     

A Concise Method to Predict the Mean Dynamic Pressure on a Plunge Pool Slab

Hydrodynamic pressure exerted on a plunge pool slab by jet impingement is of high interest in high dam projects. The present study experimentally investigated the characteristics of pressure induced by a jet through a constant width flip bucket (CFB) and a slit flip bucket (SFB). A pressurized plane pipe was employed in the flume experiments to control the inlet velocities in the flip buckets. A concise method is proposed to predict the mean dynamic pressure field. Its implementation is summarized as follows: First, the position of the pressure field is determined by the trajectories of free jets, and to calculate its trajectories, an equation based on parabolic trajectory theory is used; second, the maximum mean dynamic pressure is obtained through dimensional analysis, and then the pressure field is established by applying the law of Gaussian distribution. Those steps are integrated into a concise computing procedure by using some easy-to-obtain parameters. Some key parameters, such as takeoff velocity coefficient, takeoff angle coefficient, and the parameter k2, are also investigated in this paper. The formulas of these coefficients are obtained by fitting the experimental data. Using the proposed method, the easy-to-obtain geometric parameters and initial hydraulic conditions can be used to calculate the maximum mean dynamic pressure on the slab. A comparison between experimental data and calculated results confirmed the practicability of this model. These research results provide a reference for hydraulic applications.     

Flow properties of a dusty-gas point source in a supersonic free stream

By using Lagrangian method, the flow properties of a dusty-gas point source in a supersonic free stream were studied and the particle parameters in the near-symmetry-axis region were obtained . It is demonstrated that fairly inertial particles travel along oscillating and intersecting trajectories between the bow and termination shock waves . In this region, formation of " mufti- layer structure" in panicle distribution with alternating low- and high density layers is revealed. Moreover, sharp accumulation of particles occurs near the envelopes of particle trajectories .     

双原子分子在啁啾激光作用下的经典解离

采用辛算法及经典理论方法,计算了HF分子在啁啾激光作用下的经典解离,讨论了解离几率随激光强度的变化,以及在相同激光强度下,选取不同的振动态作为初始态时解离几率的变化.