Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization

The adsorption of xylene isomers in AlPO₄-11 (AEL network) was investigated using biased grand canonical Monte Carlo (GCMC) simulations. Preferential o-xylene adsorption was predicted by the simulations, in agreement with previously reported experimental data. In AlPO₄-11 the selective adsorption behavior comes from the smaller length of the o-xylene molecule along the crystallographic c-axis compared to p-xylene. This is in contrast to AlPO₄-5 and AlPO₄-8, where the ortho-selectivity is caused by the characteristic face-to-face positioning of o-xylene. Energy minimization studies were also performed in a flexible AlPO₄-11 lattice to study the structural changes upon xylene adsorption. The energy minimization study showed that the AlPO₄-11 crystal distorts upon p- and o-xylene adsorption. The distortion mechanism is related to the strong interaction between xylene methyl groups and the sieve oxygen atoms in the O3 position in the wide region of the pore.     

On the binomial confidence interval and probabilistic robust control

The Clopper-Pearson confidence interval has ever been documented as an exact approach in some statistics literature. More recently, such approach of interval estimation has been introduced to probabilistic control theory and has been referred as non-conservative in control community. In this note, we clarify the fact that the so-called exact approach is actually conservative. In particular, we derive analytic results demonstrating the extent of conservatism in the context of probabilistic robustness analysis. This investigation encourages seeking better methods of confidence interval construction for robust control purpose.     

Reliability Analysis of Single-Degree-of-Freedom Elastoplastic Systems. II: Suboptimal Excitations

A method for constructing an approximation of the critical excitation that drives an elastoplastic system from rest to a target threshold at a specified time instant, referred to as the “suboptimal excitation,” is presented in this paper. It is based on the observations gained from study of the critical excitations in the companion paper. Essentially, for the usual case of interest where the failure time is not small compared to the natural period, the duration of the positive and negative pulses of the critical excitation are roughly equal to half of the natural period. This consideration allows for a simple intuitive approximation of the critical excitation. The amplitudes of the positive and negative pulses are obtained in closed forms using energy balance. Numerical investigations show that the critical excitations are well approximated by the suboptimal excitations.     

C／O测井响应随源距变化的理论研究

针对井内介质分别为水、油，地层分别为３５％孔隙度饱和水砂和油砂的４种情况，采用蒙特卡罗方法模拟外径φ８９碳氧比测井仪不同源距处的非弹性散射伽马能谱。通过分析地层或井内介质不同时的Ｃ／Ｏ差值随源距变化的关系，为设计仪器推荐源距参数。     

EGS程序图形化输入平台的开发

为了使EGS能够更加方便地被工程人员使用，使用VC^ 语言开发出一套运行于Windows下的EGSWIN程序，其中包括一个图形化的输入平台，通过使用本程序，用户可以仅仅进行简单而直观的输入几何实体的工作，就可以实现区域的定义。极大的提高了EGS的使用效率。     

油砂地层中子-伽玛能谱Monte-Carlo模拟

本工作应用自行研制开发的中子 伽玛能谱测井的中子 伽玛射线随空间、能量、时间分布的蒙特卡罗模拟软件包计算了裸眼井、井眼里无下井仪器、油饱和砂岩地层、井眼注油条件下沿井轴和井壁的中子 伽玛射线随能量、时间分布及沿井轴和沿井壁的中子 伽玛射线能谱 ,研究了源距对中子 伽玛射线随能量、时间分布以及井轴与井壁中子 伽玛射线能谱的影响。     

Cluster analysis in industrial market segmentation through artificial neural network

Market segmentation has commonly applied cluster analysis. This study intends to make the comparison of conventional two-stage method with proposed two-stage method through the simulated data. The proposed two-stage method is the combination of self-organizing feature maps and K-means method. The simulation results show that the proposed scheme is better than the conventional two-stage method based on the rate of misclassification.     

蒙特卡罗方法在空间辐射制冷器理论分析及热设计计算中的应用

介绍了二级抛物面型辐射制冷器的热物理模型及用蒙特卡罗方法数值模拟解决其热流理论和辐射热耦合表面（漫发射、镜反射）辐射热交换的处理方法。     

KATRIN NEG pumping concept investigation

The Karlsruhe Tritium Neutrino experiment (KATRIN) is going to use a very large electro-static tandem spectrometer to measure the electron spectrum from the tritium beta decay, where several kilometers of non-evaporable getter (NEG) strips (type ST707) are to be used to achieve the UHV requirements. Different geometrical configurations of the NEG strips have been studied by Monte Carlo simulations. It is shown that the resulting pumping speed of the getter pumps will allow to get a pressure below 10⁻¹¹ mbar in the huge vessel with a volume of 1400 m³. By systematic assessment of the statistics of the pumping surfaces, it could be demonstrated that the design is sound.     

Monte Carlo simulation of hydrogen absorption in palladium and palladium–silver alloys

A modified Monte Carlo (MC) simulation was performed to investigate the hydrogen absorption behavior in Pd and Pd–Ag alloys of the composition Pd_xAg_1−x (x=0.7–0.8) under H₂ pressure (0.1 MPa) at different temperatures. The present method employed can consider the dissociative adsorption of hydrogen molecule and the subsequent absorption of hydrogen atom by formalizing the relationship between the pressure of hydrogen molecule and hydrogen atom. The potential parameters were determined to reproduce the solution enthalpy of hydrogen in pure metals. The results are in good agreement with experimental findings as well as previous theoretical studies. We confirmed that our method is useful to simulate the absorption of hydrogen in metals and alloys.