基于加权流量介数中心性的路网脆弱性分析——以无锡市为例

针对当前路网脆弱性研究中缺乏对真实交通状况考量的问题，在复杂网络理论的基础上，结合交通流量信息，提出了基于加权流量介数中心性的路网脆弱性分析方法。首先计算路网拓扑抽象图中各节点的最短路径介数中心性，然后使用流量数据对相应区域最短路径介数中心性加权，综合得到最终的脆弱性指标结果。以无锡市为例，对其实际交通路网脆弱性进行了计算，结果表明，该方法能综合反映静态全局路网结构与动态局部通行信息和现实交通情景下的路网脆弱性。     

基于Matlab GUI的微观化学反应过程可视化设计

Based on the quasi-classical trajectory (QCT) method and Matlab GUI technology, we developed a program code for visualizing the collision process of the elementary chemical reactions of the a + bc type. The general methodology of QCT, abstraction of dynamical properties of molecular collisions and the making of Graphical User Interface are introduced. The running results of an application to the reaction F + HCl→HF + Cl is also presented. The results showed that this program could vividly demonstrate the behavior and final state of the atom-diatom collision process in animated form. Students can interact with internal MATLAB code through graphical user interface, observe the reactive behavior and final results in real-time from multiple angles, which helps students to understand the complex reaction mechanism and deepen their perceptual impression of the chemical process at a microscopic atomic/molecular level.     

Mathematical modelling and the learning trajectory: tools to support the teaching of linear algebra

In this article we present a didactic proposal for teaching linear algebra based on two compatible theoretical models: emergent models and mathematical modelling. This proposal begins with a problematic situation related to the creation and use of secure passwords, which leads students toward the construction of the concepts of spanning set and span. The objective is to evaluate this didactic proposal by determining the level of match between the hypothetical learning trajectory (HLT) designed in this study with the actual learning trajectory in the second experimental cycle of an investigation design-based research more extensive. The results show a high level of match between the trajectories in more than half of the conjectures, which gives evidence that the HLT has supported, in many cases, the achievement of the learning objective, and that additionally mathematical modelling contributes to the construction of these linear algebra concepts.     

Eliminating counterexamples: A Grade 8 student’s learning trajectory for contrapositive proving

This study uses a teaching experiment and retrospective analysis to develop a learning trajectory for improving a Grade 8 student’s ability to construct, critique, and validate contrapositive arguments. The study is predicated on the hypothesis that adolescents perform poorly on contrapositive reasoning tasks because they lack sufficient ways of justifying contrapositive argumentation as a viable mode of argumentation. By studying a student’s actions and comments as she develops, critiques, and validates not-the-conclusion-implies-the-conditions-are-impossible arguments for conditional claims, a promising learning trajectory for contrapositive argumentation is developed. The student’s learning trajectory demonstrates how a conception of contrapositive proving as eliminating counterexamples can be useful in developing, critiquing, and validating contrapositive arguments.     

Ion transmission in an electrospray ionization-mass spectrometry interface using an S-lens

We present the design and performance of an in-house built electrospray ionization-mass spectrometry (ESI-MS) interface equipped with an S-lens ion guide. The ion source was designed specifically for our ion beam experiments to investigate the chemical reactivity and deposition of the clusters and nanoparticles. It includes standard ESI-MS interface components, such as nanoelectrospray, ion transfer capillary, and the S-lens. A custom design enables systematic optimization of all relevant factors influencing ion formation and transfer through the interface. By varying the ESI voltage and flow rate, we determined the optimal operating conditions for selected silica emitters. A comparison of the pulled silica emitters with different tip inner diameters reveals that the total ion current is highest for the largest tip, whereas a tip with the smallest diameter exhibited the highest transmission efficiency through the ESI-MS interface. Ion transmission through the transfer capillary is strongly limited by its length, but the loss of ions can be reduced by increasing the capillary voltage and temperature. The S-lens was characterized over a wide range of RF frequencies and amplitudes. Maximum ion current was detected at RF amplitudes greater than 50 V peak-to-peak (p/p) and frequencies above 750 kHz, with a stable ion transmission region of about 20%. A factor of 2.6 increase in total ion current is observed for 650 kHz as RF amplitudes reach 400 V p/p. Higher RF amplitudes also focus the ions into a narrow beam, which mitigates their losses when passing through the ion guide.     

Two‐dimensional reactive scattering with transmitted quantum trajectories

A simple and easy‐to‐implement method is presented for the study of time‐dependent reaction dynamics by propagating an ensemble of transmitted quantum trajectories. During the trajectory evolution, reflected trajectories are gradually removed and all the remaining trajectories represent the transmitted subensemble. The removal process of reflected trajectories avoids numerical instabilities arising from node formation in the reactant region, and allows stable long‐time propagation of transmitted trajectories. This method is applied to a two‐dimensional model chemical reaction. Excellent computational results are obtained for the time‐dependent reaction probabilities evaluated by the time integration of the probability flux. © 2014 Wiley Periodicals, Inc.     

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 .     

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．     

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.     

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。