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.     

Quantum reaction dynamics of C(1D) + HD → CH(CD) + D(H) on the ground state potential energy surface

We present accurate quantum dynamic calculations of the reaction C(¹D) + HD on the latest version of the potential energy surface [Zhang et al., J. Chem. Phys. 140, 234301 (2014)]. Using a Chebyshev real wave packet method with full Coriolis coupling, we obtain the initial state‐specified ( ) reaction probabilities, integral cross sections, and rate constants. The resulting probabilities display oscillatory structures due to numerous long‐lived resonances supported by the deep potential well. The calculated rate constants and CD/CH product branching ratio at room temperature are in reasonably good agreement with the experimental measurements.     

Global X2A′ potential energy surface of Li2H and quantum dynamics of H + Li2 (X1Σg+) → Li + LiH (X1Σ+) reaction

A global potential energy surface (PES) for the electronic ground state of Li₂H system is constructed over a large configuration space. About 30 000 ab initio energy points have been calculated by MRCI‐F12 method with aug‐cc‐pVTZ basis set. The neural network method is applied to fit the PES and the root mean square error of the current PES is only 1.296 meV. The reaction dynamics of the title reaction has been carried out by employing time‐dependent wave packet approach with second order split operator on the new PES. The reaction probability, integral cross section and thermal rate constant are obtained from the dynamics calculation. In most of the collision energy regions, the integral cross sections are in well agreement with the results reported by Gao et al. The rate constant calculated from the new PES increases in the temperature range of present investigation.     

路由器端电子邮件拦截与放行设计与实现

针对实时电子邮件传输过程中安全性和可靠性的需求,提出一种在路由器端基于特征分析的拦截与放行方法。通过对电子邮件传输协议和内核机制的分析,以及对特征文件的解析,在内核态下采用多模式匹配方法对数据包进行识别及时的做出判断。实验结果表明,在满足可行性的前提下,对邮件实现安全性过滤,该方法具有很好的时效性。     

Construction of Multivariate Tight Framelet Packets Associated with Dilation Matrix

In this paper, we present a method for constructing multivariate tight framelet packets associated with an arbitrary dilation matrix using unitary extension principles.We also prove how to construct various tight frames for L2(Rd) by replac-ing some mother framelets.     

基于混合网格Navier-Stokes方程的并行隐式计算方法研究

针对结构网格很难处理复杂外形和非结构网格无法计算具有边界层的粘性流动的缺点,发展了基于混合网格格点的隐式算法,成功地解决了在工程应用中难于处理的复杂外形粘性流场计算和效率问题。同时针对大规模的工程问题,发展了基于MPI通信技术的染色分层通讯并行计算方法。其中空间离散采用基于Roe格式发展的三阶迎风HLLEW(Harten-Lax-Van Leer-Einfeldt-Wada)或AUSM格式,湍流模型采用k??两方程湍流模型,时间推进考虑到LU-SGS并行等效较困难则采用基于DP-LUR(Data-Parallel Lower-Upper Relaxation)格式的隐式算法,计算CFL数可取到105量级,从2个到128个CPU的并行加速效率都保持在90%以上,大大提高了计算效率。算例对标模M6机翼模型流场进行计算,验证了方法的可靠性;然后对标模DLR-F6翼身组合体进行混合网格粘性与无粘计算结果进行比较,进一步验证混合网格方法;最后计算了DLR-WBNP外挂发动机翼身组合体模型,准确模拟了外挂和超临界机翼的相互干扰流动问题,采用4 CPU 16 CORE到24 CPU 96 CORE,2000步计算时间都不超...     

摩擦振动信号谐波小波包特征提取

在销-盘摩擦磨损试验机上进行了船用柴油机缸套-活塞环摩擦配副摩擦磨损试验,应用谐波小波包变换分析了不同磨损状态下的摩擦振动信号.结果表明:谐波小波包变换可提取微弱的摩擦振动特征.当磨损机制为轻微的黏着磨损时,摩擦振动信号的频谱以边频为主,没有明显的固有频率,平均幅值小;当磨损机制以磨粒磨损为主时,摩擦振动信号的频谱出现较大峰值的固有频率,但仍存在大量的边频,平均幅值变大;当磨损机制以疲劳磨损为主时,摩擦振动信号频谱的固有频率更加明显,边频显著减弱,平均幅值最大.因此,谐波小波包变换可实现微弱摩擦振动信号的特征提取.     

Detection of the support damage of spatial steel structures under earthquakes based on shaking table test

There are always some local damages in spatial steel structures induced by strong earthquakes, such as welding cracks of steel nodes, anchor loose of supports etc. If these local damages of spatial steel structures occur, there will be serious dangers to the structural safety. In order to detect the position of local damage under earthquake quickly and accurately, the method of support damage diagnosis of spatial steel structures under earthquakes is studied by using wavelet packet decomposition, data fusion and cluster analysis. Furthermore, a scale model of spatial steel structure was tested on a seismic simulation shaking table to detect the position of damaged support. Results show that the damaged support position can be detected accurately by using the method proposed in this paper, which has practical applications to the damage detection of spatial steel structures.     

Acoustic detection and classification of river boats

We present a robust algorithm to detect the arrival of a boat of a certain type when other background noises are present. It is done via the analysis of its acoustic signature against an existing database of recorded and processed acoustic signals. We characterize the signals by the distribution of their energies among blocks of wavelet packet coefficients. To derive the acoustic signature of the boat of interest, we use the Best Discriminant Basis method. The decision is made by combining the answers from the Linear Discriminant Analysis (LDA) classifier and from the Classification and Regression Trees (CART) that is also accompanied with an additional unit, called Aisles, that reduces false alarms rate. The proposed algorithm is a generic solution for process control that is based on a learning phase (training) followed by an automatic real time detection while minimizing the false alarms rate.