自紧身管临界裂纹尺寸的概率断裂力学研究

基于概率断裂力学理论和Mome Caflo模拟方法，本文进行了自紧身管临界裂纹尺寸的可靠性研究。自紧身管内表面的疲劳裂纹考虑为半椭圆形式。裂纹尖端处的应力强度因子由内压和自紧残余应力共同产生。自紧残余应力采用了符合身管材料具有强化和包辛格效应性能推导的公式计算，它产生的应力强度因子通过权函数方法得到。根据断裂准则，可计算出自紧身管的临界裂纹尺寸。实例分析表明，对数正态分布为临界裂纹尺寸的最佳分布，同时给出了在各种置信度和可靠度下自紧身管的临界裂纹尺寸。     

A Novel Bismuth‐Based Metal–Organic Framework for High Volumetric Methane and Carbon Dioxide Adsorption

Solvothermal reaction of H₄L (L=biphenyl‐3,3′,5,5′‐tetracarboxylate) and Bi(NO₃)₃ ? (H₂O)₅ in a mixture of DMF/MeCN/H₂O in the presence of piperazine and nitric acid at 100 °C for 10 h affords the solvated metal–organic polymer [Bi₂(L)_1.5(H₂O)₂] ? (DMF)_3.5 ? (H₂O)₃ (NOTT‐220‐solv). A single crystal X‐ray structure determination confirms that it crystallises in space group P2/c and has a neutral and non‐interpenetrated structure comprising binuclear {Bi₂} centres bridged by tetracarboxylate ligands. NOTT‐220‐solv shows a 3,6‐connected network having a framework topology with a {4 ? 6²}₂{4² ? 6⁵ ? 8⁸}{6² ? 8} point symbol. The desolvated material NOTT‐220a shows exceptionally high adsorption uptakes for CH₄ and CO₂ on a volumetric basis at moderate pressures and temperatures with a CO₂ uptake of 553 g L^?1 (20 bar, 293 K) with a saturation uptake of 688 g L^?1 (1 bar, 195 K). The corresponding CH₄ uptake was measured as 165 V(STP)/V (20 bar, 293 K) and 189 V(STP/V) (35 bar, 293 K) with a maximum CH₄ uptake for NOTT‐220a recorded at 20 bar and 195 K to be 287 V(STP)/V, while H₂ uptake of NOTT‐220a at 20 bar, 77 K is 42 g L^?1. These gas uptakes have been modelled by grand canonical Monte Carlo (GCMC) and density functional theory (DFT) calculations, which confirm the experimental data and give insights into the nature of the binding sites of CH₄ and CO₂ in this porous hybrid material.     

Adsorption of Benzene and Propylene in Zeolite ZSM-5： Grand Canonical Monte Carlo Simulations

The adsorption behavior of benzene and propylene in zeolite ZSM-5 was studied by Grand Canonical Monte Carlo(GCMC) simulations. It could be found that benzene and propylene molecules showed different adsorption behavior in the zeolite cavities. The loadings of propylene were significantly larger than those of benzene at 100 kPa. From the figures of potential energy distribution,the potential energy of benzene/zeolite was more negative than that of propylene/zeolite,so benzene could be adsorbed more stably t...     

Monte carlo simulations for blue-phase structure in liquid crystals

Blue-phase liquid crystals form three-dimensional structures in a self-organizing manner and are similar to living tissue structures such as the teeth of mice and collagen tissues. This study presents numerical results regarding the conditions under which blue-phase liquid crystals occur. The Monte Carlo simulations are performed by employing an improved Lennard–Jones potential that considers anisotropy and chirality. The conditions for the formation of the blue phase, which vary with respect to the chirality, are examined first. The relationship between the anisotropic parameters and the chiral parameter for the formation of the blue phase is discussed. Identical blue-phase structures are obtained, even when the cell size and molecular number are varied drastically. This discussion is useful for considering the scale-up problem, which is almost always a difficult issue for molecular-scale simulations.     

Stability Relationships Among the Gibbs Sampler and its Subchains

The use of Gibbs samplers driven by improper posteriors has been a controversial issue in the statistics literature over the last few years. It has recently been demonstrated that it is possible to make valid statistical inferences through such Gibbs samplers. Furthermore, theoretical and empirical evidence has been given to support the idea that there are actually computational advantages to using these nonpositive recurrent Markov chains rather than more standard positive recurrent chains. These results provide motivation for a general study of the behavior of the Gibbs Markov chain when it is not positive recurrent. This article concerns stability relationships among the two-variable Gibbs sampler and its subchains. We show that these three Markov chains always share the same stability; that is, they are either all positive recurrent, all null recurrent, or all transient. In addition, we establish general results concerning the ways in which positive recurrent Markov chains can arise from null recurrent and transient Gibbs chains. Six examples of varying complexity are used to illustrate the results.     

复杂混合溶液成分高光谱分析的可行性

采用高光谱技术对复杂混合溶液进行检测分析,同时利用被测物质的吸光度和散射特性信息以提高光谱的信噪比。实验设计了高光谱采集装置,采集生物组织模拟液(Intralipid-10%)的漫反射高光谱图像,并用Monte Carlo方法和漫射近似理论对其进行了正向和反向推导,获得了632nm波长下,Intralipid-10%吸收系数为0.002 0cm-1,与标准参数相对误差为11.1%;约化散射系数为63.35cm-1,与标准参数相对误差为6.49%,基本符合标准参数的误差范围,验证了该高光谱检测系统的准确性。还利用该高光谱系统对不同厂家出品的牛奶、果汁等样本进行了高光谱采集,得到不同样本间差异较传统二维光谱更为明显的结果,充分证明了高光谱方法在复杂混合溶液成分分析中具有很强的可行性。     

POT模型中GPD估计方法选择及金融风险测度

极大似然、矩、概率加权矩估计是GPD参数估计的主要方法.用蒙特卡罗模拟技术产生大量GPD数据,用三种方法估计参数.通过BIAS和RMSE判断估计方法优劣,研究其随样本量和形状参数变化的差异,得到估计方法选择的标准.     

一种新的空间权重矩阵构造及模拟比较研究

空间权重矩阵的构造一直是地理学、空间计量经济学和医学等领域中的难点和热点问题.权重矩阵合适与否,将直接关系到模型的最终估计结果.基于AMOEBA过程,通过局部Moran'I的比较,得到新的"邻接"关系区域,并结合基于经济距离的权重,构造出新的权重矩阵.为了进一步分析其优劣,利用蒙特卡罗模拟,在空间滞后模型下,对几种常用的权重矩阵,通过极大似然估计,利用评价标准进行比较研究.模拟结果表明:在大样本情形下,构造的新的权重矩阵,较其他几种常见权重矩阵对应的估计值更接近真值,模型拟合效果更好.同时,通过模拟比较研究也得到了一些有意义的结论.     

CEV模型和B-P混合驱动模型下亚式期权Monte Carlo模拟

对亚式期权在CEV模型和B-P混合驱动模型限制下进行Monte Carlo模拟定价,建立风险中性测度,模拟出不同弹性因子值下资产价格路径.为了得出优于标准的Monte Carlo模拟,应用方差缩减技术来提高期权定价的精度.最后对亚式期权定价模型进行数值案例分析,得出弹性因子取值、时间步长、模拟次数与期权价值变化的关系.