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.     

Reliability of structures in high dimensions, part I: algorithms and applications

The present paper is concerned with the estimation of structural reliability when a large number of random variables is present. A sampling technique which uses lines in order to probe the failure domain, is presented. The latter is employed in conjunction with a stepwise procedure which makes use of Markov Chains. The resulting algorithm exhibits accelerated convergence.     

A method for multi-parameter PDF estimation of random variables

The probability distribution function (PDF) of a random variable Z is approximated with c·e^Q(z), where Q(z) is a polynomial function and c is normalizing constant. Based upon the weighted residual method, general linear algebraic equations have been derived for the evaluation of the unknown parameters in the polynomial. Numerical examples are presented and the results show that the PDFs obtained using the proposed method converge to those obtained from Monte Carlo simulation as the number of parameters in the approximate PDF increases.     

Lateral space-charge effects on ballistic electron transport across graded heterojunctions

Hot electron transport across graded compound semiconductor heterojunctions has been explored using a two-dimensional formulation of the self-consistent ensemble Monte Carlo method. The Al_xGa_1-xAs/GaAs heterojunction imbedded into a vertical field effect transistor with two ohmic contacts (source, drain) and two lateral Schottky gates has been used as an example. Lateral space charges modulated by the gates are shown to control ballistic injection of electrons over the heterojunction under steady state conditions. The transient response to a gate pulse is found to be determined by carrier transit from the heavily doped source contact region into the channel. A conceptual one-dimensional section model is used to explain the Monte Carlo results.     

蒙特卡洛法速度谱的自动拾取

蒙特卡洛速度谱的自动拾取采用一种非线性优化的快速方法，所得叠加速度的精度可以满足常规地震资料处理中叠加的要求，转换为层速度后可用于叠前深度偏移成象，在给定初始速度模型前提下建立优化目标函数。采用蒙特卡洛非线性优化算法，以最大相似度量准则在考虑实际地质条件前提下给出速度约束条件，对初始速度模型加以扰动，自动寻找速度谱中叠加能量的全局最优解，从而获得合理的速度模型。实际地震资料处理的应用结果表明，自动拾取速度谱比常规的人工速度谱解释工作的效率大幅度提高。在SUN Ultra60机上,仅需1h即可完成2000km的地震资料的速度谱拾取任务，而且所获得的速度模型不受人为因素影响，转换所得的层速度模型用于叠前深度偏移后，获得了满意的成象效果。     

Monte Carlo simulations to determine coating uniformity in a Wurster fluidized bed coating process

This paper presents a coating model to predict the mass coating uniformity in a Wurster fluid bed coater using a Monte Carlo method. The velocity and voidage data obtained using imaging techniques on the same Wurster coater are used as inputs to the model. The semi-circular Wurster fluid bed used in this work was 22.9 cm in diameter. A batch of 3.6 kg tablets was used to conduct coating experiments and the coating weight gain distribution results were compared to predictions from the simulation. The model rigorously considers the sheltering effect of particles as they move in the spray zone. Good agreement was obtained when comparing the results with an analytical model.Spray shape and orientation of discretization were found to play an important role in predicting the coating uniformity. A simple spray experiment in a particle-free bed showed that the direction of spray material, in general, was vertically upward. Simulation results confirmed that an upward cylindrical spray model gives better agreement with experimental results compared to a solid cone spray model. Finally, the model was used to predict the changes in coating uniformity with bed operating conditions such as gas velocity and gap height. A wider coating distribution was found for the case with the lower gas velocity and gap height.     

Characterizing Performance Variation of Product Designs

Quality and reliability design practitioners have utilized Taguchi's methodology of matrix experimentation to generate computer simulation data for characterizing performance variation of product designs. However, the sampling strategy employed renders computer implementation of matrix experimentation cumbersome and statistically invalid. Weaknesses of this approach also include sample size limitation and overestimation of performance variation. An alternative approach that combines Monte Carlo simulation with the strategies of independent sampling across runs and correlated sampling between runs is presented. An application case study shows that the proposed approach constitutes an improvement on the matrix approach with respect to statistical validity and estimation accuracy.     

Assumptions and Consequences of Treating Providers in Therapy Studies as Fixed Versus Random Effects: Reply to Crits-Christoph, Tu, and Gallop (2003) and Serlin, Wampold, and Levin (2003).

In their comments on the authors' article (see record 2003-10163-009), R. C. Serlin, B. E. Wampold, and J. R. Levin (see record 2003-10163-011) and P. Crits-Christoph, X. Tu, and R. Gallop (see record 2003-10163-010) took issue with the authors' suggestion to evaluate therapy studies with nested providers with a fixed model approach. In this rejoinder, the authors' comment on Serlin et al's critique by showing that their arguments do not apply, are based on misconceptions about the purpose and nature of statistical inference, or are based on flawed reasoning. The authors also comment on Crits-Christoph et al's critique by showing that the proposed approach is very similar to, but less inclusive than, their own suggestion. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Surface adsorption of comb polymers by Monte Carlo simulations

This paper reports off-lattice Monte Carlo simulations of highly-branched comb homopolymers weakly adsorbed on a flat, featureless surface showing only covolume and dispersion interactions with the adsorbate. A minimal coarse-grained model, described by hard spheres connected by harmonic springs, was employed. The interaction energy of the adsorbed combs and linear chains is first discussed as a function of the molecular mass and of the number of beads in contact with the surface. The molecular size is then investigated as a function of backbone length and branching density at a fixed arm size. The apparent swelling exponents of the adsorbed combs are larger than those of the corresponding linear chains, and much larger than that of the free molecules. This result indicates a surface-induced stiffening of the comb backbone, further studied through the persistence length l_pers. It is found that l_pers increases upon adsorption over the free-molecule value, more so the larger is the branching density. Finally, the thickness of the adsorbed layer, the surface-induced molecular anisotropy and the molecular aspect ratio are investigated as a function of branching density and molecular mass.     

三探测器密度测井数据处理方法研究

数据处理方法研究是三探测器岩性密度测井研究的一个重要方面。在Monte Carlo模拟的基础上，提出了2种三探测器岩性密度测井求取地层光电吸收指数Pe和进行泥饼校正求取地层密度ρb的方法；就三探测器岩性密度测井仪DTLD—2的围岩补偿功能进行了研究。结果显示了用计算机模拟方法研究核测井问题可以节省建造实体物理模型的费用和人力，具有广泛的应用前景。