基于拟分布函数的中药色谱指纹图谱的相似性分析

针对中药色谱指纹图谱中色谱峰面积值存在较大变异性的问题,从拟分布函数的角度介绍了一种新的分析方法。采用秩变换将色谱峰面积值转化为相对秩次,然后通过一系列变换将原数据转换成拟分布函数的形式,再利用柯尔莫哥洛夫检验实现不同类别样品的色谱指纹图谱之间的相似性分析。通过对北马兜铃和南马兜铃样品的比较,说明了该方法有较好的灵敏度和稳健性,因而是比较合理的。

拟分布余弦函数

设X是Banach空间;本文研究了X上定义的拟分布余弦函数:2G（φ）G（Ψ）=G（φ＊Ψ）+G（φ（?）Ψ）,（?）φ,Ψ∈D;在D上引入了一种新的运算“（?）”并研究了拟分布余弦函数、积分余弦算子函数和二阶抽象Cauchy问题之间的关系.

级数展开法拟合概率潮流分布函数的局限及改进

对广泛采用的级数展开法拟合概率潮流分布函数的局限性进行研究,在理论层面分析现有级数法基于正态分布展开的原因,待拟分布必须满足拟正态条件才能保证拟合精度的问题,现有精度最好的Gram-Charlier C和Cornish-Fisher级数在非拟正态的实例测试中仍表现出明显不足。针对现有级数法存在的局限性,该文引入一种可灵活选择启动函数的改进法。该方法以若干阶原点矩为桥梁,在待拟合分布函数与启动函数之间建立基于正交多项式的级数展开式,采用若干非正态标准分布及IEEE测试系统的概率潮流分布实例进行测试。结果表明,所提方法通过选择合适的启动函数可打破现有级数法需满足拟正态分布才能保证精度的局限,在非拟正态分布的拟合中精度得到有效提升。

杉木人工林直径分布的坡向效应及其模拟

【目的】分析不同坡向杉木人工林直径分布规律的差异,为调整杉木人工林林分结构提供参考依据。【方法】以福建将乐国有林场杉木人工林为研究对象,利用4种直径分布函数(Weibull分布、Logistic分布、正态分布和Gamma分布函数),分别对幼龄林(8年)、中龄林(16或18年)、成熟林(27年)和不同坡向(阳坡和阴坡)的杉木人工林进行直径结构分析及分布函数的拟合。【结果】总体而言,4种分布函数中,Weibull的适应性最强;杉木幼龄林直径符合Gamma分布;4种分布函数对杉木中龄林直径拟合效果均较好,且中龄林直径以1cm径阶整化的拟合效果比以2cm径阶整化的好;4种分布函数对生长于阴坡的杉木成熟林拟合效果不显著,而对生长于阳坡的杉木直径拟合效果较好。【结论】杉木林直径分布较离散;成熟林阴、阳坡直径分布规律差异明显;总体样本规律与个体样本间有显著差异,不分坡向的样本集无法代表该龄组的直径分布规律,应进行坡向对比分析。

Molecular simulation study of the microstructures and properties of pyridinium ionic liquid[HPy][BF_(4)]mixed with acetonitrile

The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.

拟威布尔分布密度函数在荧光寿命成像数据分析中的应用

荧光寿命法成像技术(FLIM)是一种非常有效、功能强大且能用来分析复杂生物组织和细胞分子的成像技术。传统的荧光寿命成像的数据分析,按某些具有不同寿命、离散的单参量指数模型来描述荧光衰减过程。在生物组织这样既复杂又不均匀的样品中,虽然多参量指数模型能提供比单参量指数模型对实验数据更好的拟合效果,但是离散多参量的假定往往是随意的。提出了拟威布尔分布密度函数可能是生物荧光分子团衰减动力过程的真实再现,并且通过计算证明,对于某些生化感兴趣的荧光分子团的多槽基面效价测定样品的数据,相对于单参量指数与多参量指数衰减函数有更好的一致性。同时讨论了将该荧光衰减模型应用于荧光寿命成像的前景。

基于IPP视角的用户生成内容特征与机理的实证研究

介绍用户生成内容（UGC）的源流发展，并在此基础上引入信息生产过程理论（IPP）的视角，介绍其基本概念及其数理表达形式，并从理论角度和模拟实证角度探讨IPP应用于UGC的可行性。通过8个不同类型的UGC网站开展实证研究，包括：Flickr、Delicious、Youku、YouTube、Amazon、FanFiction、CiteULike、Yahoo!知识堂。根据不同的数据采集规则采集相关元数据并进行数据分析，包括描述性统计、累积分布函数分析以及数据分布拟合，在IPP视角下从定量的角度揭示UGC的特征与机理，如UGC的离散分布与集中趋势、UGC的帕累托最优表现、UGC中长尾理论的特征、UGC的自相似性及粒度分析等，试图从理论上揭示UGC的生成规律，为研究相关UGC动因做好前期准备，并为UGC运营商提供相关激励机制设计的参考依据和辅助决策。

Molecular Dynamic Simulation of Melting Points of Trans-1,4,5,8- tetranitro-1,4,5,8-tetraazadacalin （TNAD） with Some Propellants

Molecular dynamic simulation was employed to predict the melting points Tm of TNAD/HMX, TNAD/RDX, TNAD/DINA, and TNAD/DNP systems （tans-1,4,5,8- tetranitro-1,4,5,8-tetraazadacalin （TNAD）, dinitropiperazine （DNP）, cyclotetramethylenetetranitroamine （HMX）, cyclotrimethylenetrinitramine （RDX）, and N-nitrodihydroxyethylaminedinitrate （DINA））. Tm was determined from the inflexion point on the curve of mean specific volume vs. temperature. The result shows that the Tm values of TNAD/HMX, TNAD/RDX, and TNAD/DINA systems are 500, 536, and 488 K, respectively. The TNAD/DNP system has no obvious Tm value, which shows the system is insoluble. Using Tm, the solubility of the four systems was analyzed. The radial distribution functions of the four systems were analyzed and the main intermolecular forces between TNAD and other energetic components are short-range interactions. The better the solubility is, the stronger the intermoleenlar interaction is. In addition, the force field energy at different temperature was also analyzed to predict Tm of the four systems.

囊式蓄能器壳体静力强度可靠性分析

文章通过对宁波奉化地区生产的囊式蓄能器的调研,测试了壳体材料35CrMo钢的力学性能、壁厚,对成形壳体进行了爆破压力测试,测试统计结果表明材料的抗拉强度、壁厚负偏差率和爆破压力指标基本符合正态分布规律。按正态分布拟合函数对抗拉强度、壁厚负偏差率和爆破压力进行了可靠性分析。统计分析结果表明抗拉强度的期望值μr为999.9 MPa,标准差σr为33.1 MPa;壁厚负偏差率的期望值μΔt为-0.056,标准差σΔt为0.026;爆破压力的期望值μpb为117.5 MPa,标准差σpb为9.75 MPa。基于上述分布规律及可靠性分析表明,囊式蓄能器壳体静力强度失效概率约在10-10以下。

保障房视角下海南省商品房理性价格区间的数量分析

在海南国际旅游岛时代背景下,海南省商品房价格一直都是备受关注的社会热点问题。本文以居民家庭可支配收入为研究出发点,通过拟合收入分布函数、房价收入配比公式等数量方法,计算收入高于保障房申请标准的城镇居民购买商品房时可以承受的价格区间,即对商品房理性价格区间进行测算,通过改变房价收入比参数对商品房理性价格区间进行政策模拟,并给出相应政策建议。

On the Probability Density Function of the Real and Imaginary Parts in WFRFT Signals

Recently a Hybrid Carrier （HC） scheme based on Weighted-type Fractional Fourier Transform （WFRFT） was proposed and developed, which contains Single Carrier （SC） and Multi-Carrier （MC） synergetie transmission. The wide interest is primarily due to its appealing characteristics, such as the robust performances in different types of selective fading channels and a great deal of potential for secure communications. According to the literatures, the HC signal and SC or MC signal probability distributions are different. In particular, some benefits of this HC scheme are brought by the quasi-Gaussian distribution of WFRFT signals. However, until now researchers have only presented statistic properties through computer simulations, and the accurate expressions of signals are not derived yet. In this paper, we derive the accu- rate and rigorously established closed-form expressions of Probability Density Function （PDF） of WFRFT signal real and imaginary parts with a large number of QPSK subcarriers, and this PDF can describe the behavior of data modulated by WFRFT, avoiding the complex computation for extensive computer simulations. Furthermore, the components of PDF expression are described and analyzed, and it is revealed that the tendency of signal quasi-Gaussian changes with the increasing of the parameter a （a in （0,1]）. To validate the analytical results, extensive simulations have been conducted, showing a very good match between the analytical results and the real situations. The contribution of this paper may be useful to deduce the closed form expressions of Bit Error Ratio （BER）, the Complementary Cumulative Distribution Function （CCDF） of Peak to Average Power Ratio （PAPR）, and other analytical studies which adopt the PDF.

Molecular Dynamics Simulation for the Binary Mixtures of High Pressure Carbon Dioxide and Ionic Liquids

Molecular dynamics simulation with an all-atom force field has been carded out on the two binary sys- tems of [bmim][PF6]-CO2 and [bmim][NO3]-CO2 to study the transport properties, volume expansion and micro- structures. It was found that addition of CO2 in the liquid phase can greatly decrease the viscosity of ionic liquids （ILs） and increase their diffusion coefficient obviously. Furthermore, the volume expansion of ionic liquids was found to increase with the increase of the mole fraction of CO2 in the liquid phase but less than 35% for the two simulated systems, which had a significant difference with CO2 expanded organic solvents. The main reason was that there were some void spaces inter and intra the molecules of ionic liquids. Finally, site to site radial distribution functions and corresponding number integrals were investigated and it was found that the change of microstructures of ILs bv addition CO2 had a great influence on the orooerties of ILs.

Dynamic Monte Carlo study on the probability distribution functions of tail-like polymer chain

The configurational properties of tail-like polymer chains with one end attached to a flat surface are studied by using dynamic Monte Carlo technique. We find that the probability distribution of the free end in z direction P（Rz） and the density profile p（z） can be scaled approximately by a factor β to be a length independent function for both random walking （RW） and self-avoiding walking （SAW） tail-like chains, where the factor β is related to the mean square end-to-end distance 〈RE〉. The scaled P（Rz） of the SAW chain roughly overlaps that of the RW chain, but the scaled p（z） of the SAW chain locates at smaller βz than that of the RW chain.

Simulation of the pore size distribution function for a deformable soil

In order to obtain an indirect estimation method of the pore size distribution function(PSDF)for a deformable soil,both the soil-water characteristic curve in the form of gravimetric water content(w-SWCC)and the shrinkage curve(SC)are used as the input parameters.The w-SWCC defines the relationship between the gravimetric water content and soil suction.The SC illustrates the variation of the void ratio with respect to different water contents.10 points in the w-SWCC were selected as initial conditions.By adopting different void ratios,a group of soil-water characteristic curve in the form of the degree of saturation(S-SWCC)can be obtained.Based on Kelvin's capillary law,the S-SWCCs can be converted into a group of PSDFs.In the group of PSDFs,each PSDF represents the geometric pore space in soil corresponding to a given void ratio.From the proposed methodology,it is observed that a bimodal PSDF can be gradually changed into a unimodal PSDF when the soil is compressed.The Chataignier clay is selected as the verification and it shows that the simulation results agree well with the measured results from the mercury intrusion porosimetry(MIP)test.In addition,the discrepancies between both direct measurement data using the MIP test and the indirect estimated results from the proposed method are also discussed.

Effect of heterogeneity on mechanical and acoustic emission characteristics of rock specimen

The influence of heterogeneity on mechanical and acoustic emission characteristics of rock specimen under uniaxial compress was studied with numerical simulation methods.Weibull distribution function was adopted to describe the mesoscopic heterogeneity of rocks.The failure process of heterogeneous rock specimen under uniaxial loading was simulated using FLAC 3D software.Five schemes were adopted to investigate the influence of heterogeneity.The results demonstrate that as the homogeneity increases,the peak strength and brittleness of rocks increase,and the macro elastic modulus improves as well.Heterogeneity has great influence on macro elastic modulus and strength when the homogeneity coefficient is less than 20.0.The volume expansion is not so obvious when the homogeneity increases.As the homogeneity coefficient increases the acoustic emissions modes change from swarm shock to main shock.When the homogeneity coefficient is high,the cumulative acoustic emission events-axial strain curve is gentle before the rock failure.The numerical results agree with the previously numerical results and earlier experimental measurements.

Vapor-Liquid Equilibrium Simulation of Binary and Ternary Mixtures of CH_4,C_2H_4 and iso-C_4H_(10)

The vapor-liquid equilibrium(VLE) properties for the binary and ternary mixtures of CH4,C2H4 and isoC4H10 are of great importance in the recovery of ethylene from mixture containing CH4 and C2H4 with iso-C4H10 as solvent.Hence,Gibbs ensemble Monte Carlo(GEMC) simulations were used to estimate vapor-liquid equilibrium for the binary and ternary mixtures of CH4,C2H4 and iso-C4H10 with the united atom potential NERD model.The selected simulation conditions are based on the experiment in the literature.The results of this work were shown to be in satisfactory agreement with available experimental data and predictions of Peng-Robinson equation of state.The structure of simulated liquid phase is also characterized by radial distribution function(RDF),which contributes to further understanding of the VLE curve of these systems.RDF is not sensitive to the pressure and temperature range.With the increase of pressure or the decrease of temperature,the molecules tend to gather together.

Outage Probability Analysis of Relay Systems over K-μ Fading Channels

This paper provides an analytical framework for the outage probability evaluation of dual-hop decode-and-forward relay systems operating over K-μfading channels in the presence of co-channel interference. The interferers are independent non-identically distributed K-μfading. An accurate analytical-form expression for the cumulative distribution function of the received signal power to interference and noise ratio is derived. Various numerical results are compared with Monte Carlo simulation results in order to corroborate the accuracy of the proposed expressions. Our results show that increasing the value of kappa of main links will decrease the outage probability of relay systems. Furthermore, the system performance degrades with the number of interferences.

北京市城镇居民可承受商品房价格区间的测度——基于保障性住房的视角

从居民家庭可支配收入入手,运用收入分布函数拟合方法,建立收入与居民人数比例的对应关系,计算出保障性住房体制外需要通过购买商品房满足住房需求的居民人数,通过改良传统的房价收入比公式,提出新的房价收入配比公式,计算居民可承受商品房价格区间。

1959-2008年淮河流域极端径流的强度和频率特征

基于淮河中上游主干流两侧13个水文站点1959-2008年逐日径流量的年最大值序列和超门限峰值序列,采用Mann-Kendall趋势检验、21种分布函数和Pearson III分布,分析淮河流域极端径流的强度和频率特征。结果表明:1极端径流强度6个站点呈增加趋势,7个呈减少趋势;极端径流发生频率8个站点呈增加趋势,5个呈减少趋势。2极端径流在径流值上的频率分布,年最大值序列总体较服从Weibull分布,而非普遍采用的广义极值分布;超门限峰值序列总体仍较服从广义帕累托分布。3基于超门限峰值序列和广义帕累托分布估算的50年一遇的极端径流值精度最高,大部分地区误差率低于0.2,精度优于工程标准Pearson III分布。气候变化背景下,极端径流频率特征发生变化,流域上游地区工程标准可能需要调整。受函数形态影响,极值序列最优拟合函数估算精度不如广义极值分布和广义帕累托分布。

All-atom and united-atom simulations of guanidinium-based ionic liquids

Ionic liquids (ILs) have been widely used in separation, catalysis, electrochemistry, etc., and one of the most outstanding characteristics is that ILs can be tailored and tuned for specific tasks. In order to design and make better use of ionic liquids, the structures and properties relationship is indispensable. Both molecular dynamics and Monte Carlo simulations have been proved useful to understand the behavior of molecules at the microscale and the properties of the system. However, the quality of such simulations depends on force field parameters describing the interactions between atoms. All-atom (AA) or the united-atom (UA) force fields will be chosen because of the demand for more exact results or the lower computational cost, respectively. In order to make a systematic comparison of the two force fields, molecular simulations for four kinds of acyclic guanidinium-based ionic liquids (cations: (R2N)2C=N+<, anion: nitric or perchloric acid) were performed based on the AA and the UA force fields in this work. AA force field parameters were derived from our previous work (Fluid Phase Equilib., 2008, 272: 1-7), and the UA parameters were proposed in this work. Molecular dynamics simulation results for the AA and UA force fields were compared. Simulation densities are very similar to each other. Center of mass radial distribution functions (RDFs), site to site RDFs and spatial distribution functions (SDFs) were also investigated to depict the microscopic structures of the ILs.