Benchmark full configuration interaction calculations on N2

Summary Valence Full Configuration Interaction (FCI) calculations are reported for the N₂ molecule with a 4s3p triple-zeta basis set at different distances. The size of the FCI space is more than 225 000 000 symmetry-adapted Slater determinants. The computation requires about 1400 s of c.p.u. time per iteration on a CRAY C90, and is one of the largest FCI calculations ever converged. Our results, as is in general the case for FCI computations, can be used to test the performance of approximated methods used to study electronic correlation in molecules. The authors of this paper have agreed to not receive the proofs for correction.     

基于改进的空域相关的多聚焦图像融合

提出了一种简单有效的像素级多聚焦图像融合方法。针对正交小波变换缺乏平移不变性而产生视觉失真的缺陷,采用Atrous算法将原图像分解在不同频率域上。Atrous算法先将滤波器h0(n),h1(n)各点间插入适当的零值后再与低频信号做卷积,故又称为"多孔算法"。将具有抑制噪声性能的空阈相关法作为高频子图像的融合规则,选取相关性强边缘特征显著的点作为最终融合子图像的像素点。实验表明,由此融合的图像能完好的保留边缘纹理信息。融合后的图像在客观评价和主管视觉效果上均有提高。     

On aggregate structures in a rod-like haematite particle suspension by means of Brownian dynamics simulations

We have investigated aggregation phenomena in a suspension composed of rod-like haematite particles by means of Brownian dynamics simulations. The magnetic moment of the haematite particles lies normal to the particle axis direction and therefore the present Brownian dynamics method takes into account the spin rotational Brownian motion about the particle axis. We have investigated the influence of the magnetic particle–field and particle–particle interactions, the shear rate and the volumetric fraction of particles on the particle aggregation phenomena. Snapshots of aggregate structures are used for a qualitative discussion and the cluster size distribution, radial distribution function and the orientational correlation functions of the direction of particle axis and magnetic moment are the focus for a quantitative discussion. The significant formation of raft-like clusters is found to occur at a magnetic particle–particle interaction strength much larger than that required for a magnetic spherical particle suspension. This is because the rotational Brownian motion has a significant influence on the formation of clusters in a suspension of rod-like particles with a large aspect ratio. An applied magnetic field enhances the formation of raft-like clusters. A shear flow does not have a significant influence on the internal structure of the clusters, but influences the cluster size distribution of the raft-like clusters.     

基于单幅数字散斑投影及图像相关的离面振动测量

采用单幅数字散斑图投影及高速数字图像采集技术,研究了动态离面位移的测量。采用商用液晶投影仪将计算机产生的模拟散斑图投影到待测动态变形物体表面,由高速数字图像采集设备摄取并保存变形散斑图,采用时间序列数字图像相关软件计算出物体表面各点随时间变化的离面位移。这种方法用于振动分析时不仅可以获得振型分布,而且还可以获得各点的振幅值。与现有的激光频闪照相测振及激光多普勒测振等方法相比,具有光学系统简单,可全场定量测量。悬臂梁振动实验结果证实了该方法的有效性。     

Reliability analysis of stochastic structural system considering static strength, stiffness and fatigue

Multi-failures are possible to appear in the process of using the structural system, such as dead load failure, fatigue failure and stiffness failure. The expression of residual resistance is given based on the impact of random crack propagation in- duced by the fatigue load on the critical limit stress and section modulus in this paper. The failure modes of every element of the structural system are analyzed under dead and fatigue loads, and the influence of the correlation of failure modes on reliability of the element is considered. Failure mechanism and the correlation of failure modes under dead and fatigue loads are discussed, and the method of reli- ability analysis considering static strength, fatigue and stiffness is given. A nu- merical example is analyzed, which indicates that the failure probability is different for different use life and the influence of dead and fatigue loads on reliability of the structural system is different as well. This method of reliability analysis, in the pa- per, is better than the method only considering a single factor (or static strength, or fatigue, or stiffness, etc.) in the case of practical engineering.     

部分空间和部分光谱相干高斯-谢尔模型脉冲光束在自由空间中的光谱和时间特性

 对部分空间和部分光谱相干２维高斯-谢尔模型脉冲光束在自由空间传输的光谱和时间特性做了详细的数值研究。结果表明,部分空间和部分光谱相干高斯-谢尔模型脉冲光束在自由空间传输中发生了光谱移动,光谱移动与场点位置、空间相关长度和时间相干长度有关。在轴上,光谱出现蓝移,相对光谱移动随传输距离的增加而增大,随空间相关长度和时间相干长度的增加而减小,并逐渐趋于一定值。在轴外,光谱出现蓝移和红移,并与空间相关长度和时间相干长度有关。脉冲时间波形不变,对所得主要结果做了物理解释。     

Two-pion interferometry for a partially coherent evolution source

We give the formulas of two-pion Hanbury-Brown-Twiss (HBT) correlation function for a partially coherent evolution pion-emitting source, using quantum probability amplitudes in a path-integral formalism. The multiple scattering of the particles in the source is taken into consideration based on Glauber scattering theory. Two-pion interferometry with effects of the multiple scattering and source collective expansion is examined for a partially coherent source of hadronic gas with a finite baryon density and evolving hydrodynamically. We do not find observable effect of either the multiple scattering or the source collective expansion on HBT chaotic parameter.     

Electron capture into few-electron heavy ions: Independent particle model

We apply the density matrix theory to re-investigate the radiative electron capture into heavy ions with one valence electron. Attention has been paid particularly to the magnetic sublevel population of the residual ions, as described in terms of alignment parameters. Simple method, based on an independent particle model, which takes into account the Pauli principle, is proposed for evaluating the alignment of the excited ionic states. By making use of this method, detailed calculations are performed for electron capture into (initially) hydrogen-like and lithium-like europium, gold and uranium ions, and are compared with the results of the multiconfiguration Dirac-Fock approach.As seen from the calculations and from the comparison with available experimental results, the independent particle model provides a good estimate for the alignment parameters of few-electron heavy ions. Therefore, our simple model may help to understand the basic properties of the X-ray emission from heavy, few-electron ions without the need for invoking sophisticated MCDF calculations.     

Investigation of thermal evolution of nanodomain structures in nonlinear barium sodium niobate crystals

By the 90°elastic light scattering investigation and far field observation in the range of 20-800℃,the relation between behavior of light scattering anomalies and evolution of nanodomain structures in lattice of barium sodium niobate(Ba2NaNb5O15,BSN)crystal was clarified.The correlation between anomalies on the temperature curves of the elastic light scattering intensity and temperature transformations of nanodomains was studied by X-ray and electron microscope methods.Phase transition near 500℃ and movement in field of scattering light could be explained by appearance of a new incommensurate phase.     

正交小波变换在散斑图象相关计算中的应用

本文在散斑图象的相关计算处理技术中引入了二维离散正交小波变换,详细叙述了其原理,给出了实验计算的结果,并与原始的空域相关计算进行了比较,从中可以看出:无论是相关计算精度,还是相关搜索速度,小波相关都具有明显的优越性.