SN共轭函数用于蒙特卡罗粒子输运自动减方差的研究

基于S_N输运计算平台ARES编制了三维共轭输运计算模块,根据一致性共轭驱动重要性抽样方法自动生成减方差参数,用于加速MCNP5计算.数值结果表明,自动生成的减方差参数可有效提高蒙特卡罗计算效率,并保证结果无偏.自动减方差技术利用S_N共轭函数可更经济准确的估计粒子重要性,避免手动估算减方差参数的复杂工作,对于复杂屏蔽问题的蒙特卡罗计算具有较好的应用前景.     

辐射输运菱形差分SN方程的扩散综合加速方法

讨论辐射输运菱形差分S_N方程的源迭代加速方法,在一维情形下给出与输运算子离散相容的线性多频灰体加速计算格式.数值算例表明该加速算法是健壮有效的.     

δ函数SN方法求解含各向异性散射输运方程的本征值问题

将角通量分解成一个δ函数和一个低阶函数,分别采用解析方法和求积组来计算源项.利用δ函数S_N方法,计算了平几何条件下含各向异性散射单速输运方程的临界问题.分析和数值结果表明,采用数量较少的离散方向,能够达到较高计算精度.     

密度泛函理论研究H2与Rhn（n=1—8）团簇的相互作用

采用密度泛函理论对H₂与Rh_n（n=1—8）团簇的相互作用进行了系统研究.结果表明, Rh_nH₂体系的最低能量结构是在Rh_n团簇最低能量结构的基础上吸附H原子生长而成.吸附H原子没有改变Rh_n团簇的结构, 键长是影响Rh_n和Rh_nH₂磁矩的主要因素.从优化后的几何结构可以看出吸附后的H₂发生断键,表明H₂分子发生了解离性吸附.当n≤5,H原子的吸附以桥位为主,当n≥6时,H原子开始出现空位吸附.H原子的吸附提高了Rh_n的稳定性和化学活性,较小的吸附能表明H原子易从Rh_nH₂中解离出来.二阶能量差分表明4是Rh_nH₂和Rh_n团簇的幻数. 关键词： nH₂和Rh_n团簇')" href="#">Rh_nH₂和Rh_n团簇 平衡结构 电子性质     

随机数检验程序系统SUTEST

对计算机上给出的(0,1)上的数字序列r₁,r₂,…,r_i,…,r_N能否当做标准均匀分布的随机数用于Monte Carlo模拟计算,是Monte Carlo方法研究及其实际应用中的一个极其重要而又十分难于解决的问題。统计软件包SASD提供的随机数检验程序系统SUTEST,对数字序列{r_i|0< r_i< 1,i=1,2,…,N}给出十二类、二十七种不同的统计检验方法,由六十一个统计量从均匀性、随机性、独立性和统计模拟计算等许多不同的方面,为随机数检验提供了完整、配套的统计检验方法和有效可行的算法。给出了便于使、易于移植的FOR-TRAN源程序。在上述意义下,从统计上和实际应用上解决了这一问题。     

第一性原理对XMgn(X=B,Al, n=1—12)团簇的几何结构和电子性质的研究

利用密度泛函理论(DFT)的B3PW91方法,在6-311G水平上对BMg_n,AlMg_n(n=1—12)团簇进行了几何结构优化和电子性质分析. 发现随着原子个数的增加, B原子进入镁团簇的内部, 而AlMg_n和镁团簇有相似的生长模式. B,Al原子的掺杂均能使镁团簇的平均结合能增大,稳定性增强, BMg_n,AlMg_n关键词： 密度泛函理论 最低能量结构 n和AlMg_n团簇')" href="#">BMg_n和AlMg_n团簇 NBO电荷布居     

密度泛函理论研究Scn，Yn和Lan(n=2—10)团簇的稳定性、电子性质和磁性

通过采用密度泛函理论对Sc₂,Y₂和La₂基本性质的计算,选择在较优理论水平下系统地研究了Sc_n, Y_n和La_n(n=2—10)团簇的几何结构、稳定性、电子性质和磁性及其随团簇尺寸的变化趋势.此同族三种团簇的稳定性由原子密堆集几何结构效应决定,幻数均表现出一致的结果.La_n团簇的能隙比 关键词： n')" href="#">Sc_n n和La_n团簇')" href="#">Y_n和La_n团簇 密度泛函理论 电子性质 磁矩     

NFX(X=-1,0,+1)分子离子基态的结构与势能函数

用密度泛函理论的B3LYP方法,分别以6-311++g(df,3pd),6-311g(3d,3p)和6-311++g(3df,3pd)为基函数对NF分子、NF⁺和NF^-离子基态进行几何优化和频率计算,并进行单点能扫描计算.用最小二乘法拟合得到NF^X(X=-1,0,+1)分子离子基态的Murrell-Sorbie势能函数.利用得到的解析势能函数计算出的NF分子和NF⁺离子基态光谱常数(B_e,α_e,ω_e,ω_eχ_e)与实验值符合很好.首次得到NF^-离子基态的光谱常数(B_e,α_e,ω_e,ω_eχ_e)和力常数(f₂,f₃,f₄),为NF-离子基态的后期研究提供理论参考.     

尺寸可控的纳米硅的生长模型和实验验证

基于经典热力学理论，对a-SiN_x/a-Si:H/a-SiN_x三明治结构或a-Si:H/a-SiN_x多层膜结构中纳米硅成核，以及从球形到鼓形的生长过程进行了研究. 建立了限制性晶化理论模型：在纳米硅生长过程中，由于界面能增大将导致生长停止，给出限制性晶化条件——a-Si:H子层厚度小于34 nm. 在激光晶化和常规热退火两种方法形成的a-SiN_x/nc-Si/a-SiN_x三明治结构和nc-Si/a-SiN_x多层膜结构中验证了该理论模型. 关键词： 非晶硅 纳米硅 激光辐照 结晶     

脉冲梯度场增强的DQF-COSY实验t1噪声研究

脉冲相位的不稳定性是导致二维谱中的t₁噪声的原因之一.本文从理论上和实验上对脉冲相位不稳定性所引起的t₁噪声进行了研究.从角动量算符I_x,I_y和I_z推导中发现,由于磁化矢量在P型和N型DQF-COSY实验的脉冲梯度场中进动方向的内在差异,一部分脉冲相位误差在P型DQF-COSY实验会被重聚掉,在N型DQF-COSY实验中却会被加重.因此P型DQF-COSY实验的t₁噪声比N型小.理论推导还得到t₁噪声在P型和N型中的理论比值为√3:√11.以上理论结果得到我们实验结果的支持.     

Wavelet optimization for applying continuous wavelet transform to maternal electrocardiogram component enhancing

In the procedure of non-invasive fetal electrocardiogram(ECG) extraction, high-quality maternal R wave peak detection demands enhancing the maternal ECG component firstly. Among all the enhancing algorithms, the one based on the continuous wavelet transform(CWT) is very important and its effectiveness depends on the optimization of the used wavelet. However, up to now, there is still no clear conclusion on the optimal wavelet(including type and scale) for CWT to enhance the maternal ECG component of an abdominal ECG signal. To solve this problem, in this paper, we select several common used types of wavelets to carry out our research on what the optimal wavelets are. We first establish big-enough training datasets with different sampling rates and make a maternal QRS template for each signal in the training datasets.Second, for each type of selected wavelets, we find its optimal scale corresponding to each QRS template in a training dataset based on the principle of maximal correlation. Then calculating the average of all optimized wavelet scales results in the mean optimal wavelet of this type for the dataset. We use two original abdominal ECG databases to train and test the optimized mean optimal wavelets. The test results show that, as a whole, the mean optimal wavelets obtained are superior to the wavelets used in other publications for applying CWT to maternal ECG component enhancing.     

Signal Analysis by New Mother Wavelets

Based on the general formula for finding qualified mother wavelets [Opt. Lett. 31 （2006） 407] we make wavelet transforms computed with the newly found mother wavelets （characteristic of the power 2n） for some optical Gaussian pulses, which exhibit the ability to measure frequency of the pulse more precisely and clearly. We also work with complex mother wavelets composed of new real mother wavelets, which offer the ability of obtaining phase information of the pulse as well as amplitude information. The analogy between the behavior of Hermite Gauss beams and that of new wavelet transforms is noticed.     

Tail wavelets in merger of binary compact objects

We present a model for tail wavelets, a phenomenon known as "echo" in the literature. The tail wavelet may appear in signal reconnaissances in the merger of binary compact objects, including black holes and neutron stars. We show that the dark matter surrounding the compact objects lead to a speculated tail wavelet following the main gravitational wave(GW). We demonstrate that the radiation pressure of the main wave is fully capable of pushing away the surrounding matter to some altitude, and splashing down of the matter excites the tail wavelet after ringing down of the main wave. We illustrate this concept in a simplified model, where numerical estimations are conducted on the specific distribution of dark matter outside the black hole horizon and the threshold values in accordance with observations. We study the full back reaction of the surrounding dark matter to the metric and find that the effect on to the tail wavelets is insignificant. We reveal the fine difference between the tail wavelets of a dressed and a bare black hole. We demonstrate that the tail wavelet can appear as a natural phenomenon in the frame of general relativity, without invoking modified gravities or quantum effects.     

Solitary Wave and Wavelet

In this paper, it is shown that the homoclinic orbits exist in iterated functional systems, so do the solitary wave structures. Moreover, Harr father wavelet, Mexican Cap wavelet, and other closed form wavelets have this solitary wave structure, too. So wavelet is a certain kind of solitary wave.     

基于混合自适应小波基的织物疵点检测算法

为了改进具有复杂纹理织物的疵点检测效果,提出了一种基于混合自适应小波基的织物疵点检测算法,采用各自优化的自适应小波基实现对不同层织物图像的分解变换。首先对正常图像和其经一层小波分解后的低频子图像优化得到混合自适应小波基,然后用该小波基将织物疵点图像进行二层小波分解,最后采用阈值法对径向子图像进行分割得到检测结果。实验结果证明,本文提出的算法能有效实现疵点检测,具有较好的疵点分割和定位结果。     

电容提取的新摄动方程及小波边界元解法

提出一种解决含高电容率介质结构电容提取问题的新摄动方程,使计算时间减少一半.建立新摄动方程的快速小波Galerkin边界元解法.算例证明新摄动方程精度高且受介质电容率影响小;用小波Galerkin边界元求解的效率高,时间和内存消耗达到最优O(N)(N为未知量数目).     

Phase recovery from fringe patterns using the continuous wavelet transform

Interferometry is well established as an optical technique in which a measurand is encoded as the phase of a periodically varying intensity pattern. In view of the inherent accuracy of interferometry, many methods have been developed to retrieve the phase from images of the fringe pattern. Our focus in this paper is one such technique—the continuous wavelet transform (CWT). We begin by reviewing the CWT and the space–spatial–frequency localisation properties of wavelets. We show that a path which follows the maximum modulus of the CWT (the wavelet ridge) gives the instantaneous fringe frequency as a function of spatial displacement. The phase is automatically and trivially obtained, without discontinuities, by integration. Examples of practical wavelets are given and algorithms to isolate the wavelet ridge reviewed.     

Wavelet transform for Fresnel-transformed mother wavelets

In this paper, we propose the so-called continuous Fresnel-wavelet combinatorial transform which means that the mother wavelet undergoes the Fresnel transformation. This motivation can let the mother-wavelet-state itself vary from |ψ> to F_r,s⁺ |ψ> , except for variation within the family of dilations and translations. The Parseval's equality, admissibility condition and inverse transform of this continuous Fresnel-wavelet combinatorial transform are analysed. By taking certain parameters and using the admissibility condition of this continuous Fresnel-wavelet combinatorial transform, we obtain some mother wavelets. A comparison between the newly found mother wavelets is presented.     

一种简单的97小波滤波器及图像压缩性能的研究

小波提升方案是继多分辨分析之后的另一种非常有效的构造小波滤波器的方法。以构造双正交小波的Cohen-Daubechies-Feauveau定理为基础,利用提升方式构造了一个包含Cohen,Daubechies和Feauveau的著名97小波滤波器(CDF97)的小波滤波器族,获得了新的97小波滤波器,其图像压缩性能与CDF97相当,但其复杂度已大大降低,有利于ASIC的设计。     

多路CCD成像非一致性动态校正新方法

在多路CCD成像结构中,由于影响各路成像参量不一致的因素较多,常规校正方法变得复杂和困难。在分析多路CCD成像机理的基础上,提出了一种利用小波变换的多路CCD成像非一致性动态校正新方法,即在分析同一目标成像中异路图像像元特性差异的基础上,利用小波变换构筑校正因子对后续的CCD捕获图像进行校正。为满足实时校正的需要,研究了动态条件下成像校正的时效性,分析了不同小波的动态校正效率。实验结果表明,校正后同一目标异路图像相关值为0．9975,Symlet3小波在两路及多路成像校正中均具有较高效率;在多路成像中,Symlet系列小波相对于其它类型小波校正效率相对突出。此方法为多路CCD成像非一致性在线校正提供了有效的途径。