The effect of the rotational excitation of NO on the stereodynamics for the reaction C(~3P)+NO(X~2Π)→CN(X~2Σ~+)+O(~3P)

The stereodynamic properties of the reaction C(3P)+NO(X2Π)→CN(X2Σ+)+O(3P) in different rotational states of reactant NO are studied theoretically by using the quasiclassical trajectory method on 2A' and 2A' potential energy surfaces(PESs) at a collision energy of 0.06 eV.The vector properties in different rotational states on the two surfaces are discussed in detail.The results indicate that the rotational excitation of NO has considerable influence on the stereodynamic property of the reaction occurring on the two surfaces.At the same time,the calculated polarization-dependent differential cross sections(PDDCSs) in different initial rotational states manifest that products are strongly polarized at three scattering angles.     

Extension of high-order harmonic cutoff frequency by synthesizing the waveform of a laser field via the optimization of classical electron trajectory in the laser field

We theoretically investigate high-order harmonic generation by employing strong-field approximation （SFA） and present a new approach to the extension of the high-order harmonic cutoff frequency via an exploration of the dependence of high-order harmonic generation on the waveform of laser fields. The dependence is investigated via detailed analysis of the classical trajectories of the ionized electron moving in the continuum in the velocity-position plane. The classical trajectory consists of three sections （Acceleration Away, Deceleration Away, and Acceleration Back）, and their relationship with the electron recollision energy is investigated. The analysis of classical trajectories indicates that, besides the final （Acceleration Back） section, the electron recollision energy also relies on the previous two sections. We simultaneously optimize the waveform in all three sections to increase the electron recollision energy, and an extension of the cutoff frequency up to Ip ＋ 20.26Up is presented with a theoretically synthesized waveform of the laser field.     

Quasiclassical trajectory theoretical study on the chemical stereodynamics of the O(~1D)+H_2→OH+H reaction and its isotopic variants (HD,D_2)

The quasiclassical trajectory (QCT) method is used to study stereodynamic information about the reaction O ( 1 D) + H 2 →OH + H on the DK (Dobbyn and Knowles) (1 1 A' ) ab initio potential energy surface (PES). A wide scale of collision energy (E c ) from 0.05 eV to 0.5 eV is considered in the dynamic calculations. To reveal the rovibrational excitation effect, calculations at a collision energy of 0.52 eV are carried out for the v = 0 ～ 5, j = 0 and v = 0, j = 0 ～ 15 initial states. The two popularly used polarization-dependent differential cross sections (PDDCSs), dσ 00 /dω t (0, 0) and dσ 20 /dω t (2, 0), and two angular distributions, P(θ r ) and P( r ) are calculated to obtain an insight into the alignment and the orientation of the product molecules. From the calculations, we can obtain that the alignment of the OH product is weaker at high collision energy and becomes stronger with the increase of initial vibrational level, and it is almost insensitive to the initially rotational excitation. Influences of the mass values of isotopes (HD, D 2 ) on the stereodynamics are also shown and discussed. Comparisons between available theoretical results and experimental results are made and discussed.     

RANS and LES computations of the tip-leakage vortex for different gap widths

In hydraulic turbines, the tip-leakage vortex is responsible for flow instabilities and for promoting erosion due to cavitation. To better understand the tip vortex flow, Reynolds-averaged Navier–Stokes (RANS) and large eddy simulation (LES) computations are carried out to simulate the flow around a NACA0009 blade including the gap between the tip and the wall. The main focus of the study is to understand the influence of the gap width on the development of the tip vortex, as for instance its trajectory. The RANS computations are performed using the open source solver OpenFOAM 2.1.0, two incidences and five gaps are considered. The LESs are achieved using the YALES2 solver for one incidence and two gaps.

The validation of the results is performed by comparisons with experimental data available downstream the trailing edge. The position of the vortex core, the mean velocity and the mean axial vorticity fields are compared at three different downstream locations. The results show that the mean behaviour of the tip vortex is well captured by the RANS and LES computations compared to the experiment. The LES results are also analysed to bring out the influence of the gap width on the development of the tip-leakage vortex. Finally, a law that matches the vortex trajectory from the leading edge to the mid-chord is proposed. Such a law can be helpful to determine, in case of cavitation, if the tip vortex will interact with the walls and cause erosion.     

Modelling of Lévy walk kinetics of charged particles in edge electrostatic turbulence in tokamaks

We model and discuss the possible types of motion that charged particles may undergo in a stationary and spatially periodic electrostatic potential and a homogeneous magnetic field. The model is considered to be the simplest approximation of more complex phenomena of plasma edge turbulence in tokamaks. Therein, low frequency turbulence appears in the plasma edge, resulting in a fluctuation of the electron density, and also in the generation of a turbulent electrostatic field. Typical parameters of this turbulent electrostatic field are an electrical potential amplitude of 10–100 V and wave numbers k≈10³ m^-1. In our model, we consider these regimes, together with a homogeneous magnetic field with a magnitude of 1 T. We investigate the dynamics of singly-ionized carbon ions – a typical plasma impurity – with kinetic energies on the order of 10 eV. Besides the obvious Larmor and drift motions, a motion of random-walk and of Lévy walk character appear therein. All of these types of motion can play an important role in the modelling of the anomalous diffusion of particles from the plasma edge turbulence region. The dynamics mentioned will cause an inevitable escape of energetic particles and thus of power loss from the thermonuclear reactor. Moreover, Lévy walk kinetics represents a very interesting kind of kinetics, currently of great interest, which was previously not so often discussed.     

Two-dimensional ultrashort echo time imaging using a spiral trajectory

Tissues with very short transverse relaxation time (T2) cannot be detected using conventional magnetic resonance (MR) sequences due to the rapid decay of excited MR signals. In this work, a multiecho sequence employing half-pulse excitation and spiral sampling was developed for ultrashort echo time (UTE) imaging of tissues with short T2. Spiral readout gradients were measured and precompensated to reduce gradient distortions due to eddy currents and gradient anisotropy. The effects of spatial blurring due to fast signal decay were investigated experimentally through spiral UTE (SUTE) imaging of rubber bands with different spiral sampling duration. The unwanted long T2 signals were suppressed through the use of an inversion pulse and nulling, and/or subtraction of a later echo image from the initial one. This technique has been applied to imaging of the short T2 components in brain white matter, knee cartilage, bone and carotid vessel wall of normal volunteers at 1.5 T. Preliminary results show high spatial resolution and excellent image contrast for a variety of short T2 tissues in the human body under a relatively short scan time. A quantitative comparison was also made between radial UTE and SUTE in terms of signal-to-noise ratio efficiency.     

An iterative reconstruction technique for geometric distortion-corrected segmented echo-planar imaging

In this article, we present a modified interleaved segmented echo-planar imaging (SEPI) sequence with a center-out k-space trajectory that is especially designed for susceptibility-weighted imaging applications. We introduce a simple and efficient technique to phase correct the acquired SEPI data in the presence of moderate field inhomogeneities. This phase correction reduces the distortion in the phase-encoding direction without requiring an extra reference scan. With the use of a center-out k-space trajectory and a low-spatial-frequency phase map, phase discontinuities between segments can be eliminated, in principle, iteratively using a fast Fourier transform from the center segment to the outermost segment in k-space. With an extra echo added in front of the echo train, neither phase unwrapping nor an extra reference scan is required to obtain a low-spatial-frequency phase map. The method is shown to remove blurring and reduce geometric distortion caused by phase changes from echo to echo in both phantom and human data. The method is most useful for high-resolution imaging applications and moderate factors of speed improvement.     

半圆形容器等离子体源离子注入过程中离子动力学的两维PIC计算机模拟

利用两维particle-in-cell方法研究了半圆形容器表面等离子体源离子注入过程中鞘层的时空演化规律. 详尽考察了鞘层内随时间变化的电势分布和离子密度分布规律,离子在鞘层中的运动轨迹和运动状态,得到了半圆容器内、外表面和边缘平面上各点离子注入剂量分布规律,获得了工件表面各点注入离子的入射角分布规律. 研究结果揭示了半圆容器边缘附近鞘层中离子聚焦现象,以及离子聚焦现象导致工件表面注入剂量分布和注入角度分布存在很大不均匀的基本物理规律. 关键词： 等离子体源离子注入 鞘层 两维particle-in-cell方法 离子运动轨迹     

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。