Monte Carlo simulations of oscillations, chaos and pattern formation in heterogeneous catalytic reactions

Experimental studies employing surface science methods indicate that kinetic oscillations, chaos, and pattern formation in heterogeneous catalytic reactions often result from the interplay of rapid chemical reaction steps and relatively slow complementary processes such as oxide formation or adsorbate-induced surface restructuring. In general, the latter processes should be analysed in terms of theory of phase transitions. Therefore, the conventional mean-field reaction–diffusion equations widely used to describe oscillations in homogeneous reactions are strictly speaking not applicable. Under such circumstances, application of the Monte Carlo method becomes almost inevitable. In this review, we discuss the advantages and limitations of employing this technique and show what can be achieved in this way. Attention is focused on Monte Carlo simulations of CO oxidation on (1 0 0) and (1 1 0) single-crystal Pt and polycrystal Pt, Pd and Ir surfaces and of NO reduction by CO and H₂ on Pt(1 0 0). CO oxidation on supported nanometre-sized catalyst particles and NO reduction on composite catalysts are also discussed. The results show that with current computer facilities the MC technique has become an effective tool for analysing temporal oscillations and pattern formation on the nanometre scale in catalytic reactions occurring on both single crystals and supported particles.     

The membranous contact quotient: A new phonatory measure of glottal competence

The membranous contact quotient (MCQ) is introduced as a measure of dynamic glottal competence. It is defined as the ratio of the membranous contact glottis (the anterior-posterior length of contact between the two membranous vocal folds) and the membranous vocal fold length. An elliptical approximation to the vocal fold contour during phonation was used to predict MCQ values as a function of vocal process gap (adduction), maximum glottal width, and membranous glottal length. MCQ is highly dependent on the vocal process gap and the maximum glottal width, but not on vocal fold length. Five excised larynges were used to obtain MCQ data for a wide range of vocal process gaps and maximum glottal widths. Predicted and measured MCQ values had a correlation of 0.93, with an average absolute difference of 9.6% (SD = 10.5%). The model is better at higher values of MCQ. The theory for MCQ is also expressed as a function of vocal process gap and subglottal pressure to suggest production control potential. The MCQ measure is obtainable with the use of stroboscopy and appears to be a potentially useful clinical measure.     

STUDY ON WAYS OF FORCING INTERCELLULAR CYTOPLASM AND CHROMATIN MIGRATION TO TRANSFER EXTERNAL GENETIC SUBSTANCES TO PLANT CELLS BY ARTIFICIAL MOTIVE FORCE

A new cell engineering technique (L. B. technique) was established in our Lab. At first, the physical and chemical methods were used to facilitate the reestablishment of intercellular contacts and plasmodesma channels between different parents, thus forcing cytoplasm and chromatin to pass the cell wall with different qualities and quantities from one cell to others, through the enlarged intercellular plasmodesma channels or the vulnerable regions and the holes on the cell wall formed differently in growth and thickness in the process of cell wall formation to introduce external genetic substances or gene groups into plant cells. There are different ways, frequencies and strengths for the migration between the cells in different growth and development regions or the same growth and development region. In this paper we advance the mechanism of cytoplasm and chromatin migration through the cell wall: There are a large number of plasmodesma channels or vulnerable regions and holes different in growth and th     

A new positive‐definite regularization of incompressible Navier–Stokes equations discretized with Q1/P0 finite element

A new regularization method is proposed for the Galerkin approximation of the incompressible Navier–Stokes equations with Q1/P0 element, by newly introducing a square‐type linear form into the variational divergence‐free constraint regularized with the global pressure jump (GPJ) method. The addition of the square‐type linear form is intended to eliminate the hydrostatic pressure mode appearing in confined flows, and to make the discretized matrix positive definite and then non‐singular without the pressure pegging trick. Effects of the free parameters for the regularization on the solutions are numerically examined with a 2‐D driven cavity flow problem. Furthermore, the convergences in the conjugate gradient iteration for the solution of the pressure Poisson equation are compared among the mixed method, the GPJ method and the present method for both leaky and non‐leaky 3‐D driven cavity flows. Finally, the non‐leaky 3‐D cavity flows at different Re numbers are solved to compare with the literature data and to demonstrate the accuracy of the proposed method. Copyright © 2003 John Wiley & Sons, Ltd.     

Ultra-thin film growth of titanium dioxide on W(1 0 0)

We have employed low energy electron diffraction (LEED) and X-ray photoelectron spectroscopy to follow the epitaxial growth of thin films of TiO₂ on W(1 0 0). The films were grown both by metal vapour deposition of titanium onto the substrate in UHV with subsequent annealing in a low partial pressure of oxygen, and by metal vapour deposition in a low partial pressure of oxygen. LEED patterns showed the characteristic patterns of (1 1 0) oriented rutile. A systematic spot splitting was observed and attributed to a stepped surface. The calculated step height was found to be in good agreement with that expected for rutile TiO₂(1 1 0), 3.3 Å. Titanium core level shifts were used to identify oxidation states as a function of film thickness allowing the interpretation in terms of a slightly sub-stoichiometric interface layer in contact with the substrate. In combination with the LEED patterns, the film structure is therefore determined to be (1 1 0) oriented rutile with a comparable level of stoichiometry to UHV prepared bulk crystals. The ordered step structure indicates considerable structural complexity of the surface.     

Surface pre-melting and surface flattening of Bi nanofilms on Si(1 1 1)-7 × 7

We report on the in situ observation of temperature-driven drastic morphology evolution and surface pre-melting of the Bi(0 0 1) nanofilm deposited on the Si(1 1 1)-7 × 7 surface by use of spot-profile-analyzing low-energy electron diffraction (SPA-LEED). Surface step density of the single-crystalline, epitaxial Bi(0 0 1) film decreases above 350 K in a critical manner. On annealed Bi(0 0 1) films, we have detected surface pre-melting with a transition temperature of 350 K, which yields reversible diffraction intensity drop in addition to the harmonic Debye-Waller behavior. The observed surface flattening of the as-deposited film is driven by the increased amount of mobile adatoms created through the surface pre-melting.     

Me-PTCDI thin film deposition on InSb(1 1 1)A

The evolution of N,N′-dimethylperylene-3,4,9,10-dicarboxyimide (Me-PTCDI) thin films formed by vapour deposition on InSb(1 1 1)A substrates has been studied by X-ray photoelectron spectroscopy (XPS), high-resolution electron energy loss spectroscopy (HREELS) and low energy electron diffraction (LEED). XPS studies of the Me-PTCDI covered surface indicate that no significant interaction occurs at sub-monolayer coverage when compared to multilayer Me-PTCDI films. HREELS studies suggest only a weak interaction as evidenced by very small changes in the frequencies of several molecular vibrational modes. LEED patterns show the Me-PTCDI overlayer adopts a structure commensurate with the underlying InSb(1 1 1)A substrate surface and that can be rationalised by van der Waals intermolecular energy calculations for the Me-PTCDI unit cell. The results are consistent with a weak interaction at the Me-PTCDI/InSb interface, the formation of the commensurate structure being sufficient to overcome the small energetic penalty associated with deviation from the calculated intermolecular interaction energy minimum.     

螺旋管锅炉反应器管内汽液两相流压力降脉动研究

本又根据闭式循环热动力推进系统中锅炉反应器的各种可能的航行方向及运行参数，对螺旋管内汽液两相流压力降脉动特性进行了系统的试验研究，首次区分了两类不同特征的压力降脉动并得到了各主要因素的影响现律和发生脉动的界限准则。     

干湿球湿度计相对湿度的计算

本文介绍了干湿球温度计的测温原理及计算相对湿度的公式．     

表面增强拉曼散射概述

表面增强拉曼散射概述武建劳，郇宜贤，傅克德，张鹏翔（陕西师范大学物理系西安７１００６２）Ｔｈｅｓｔａｔｕｓｏｆｓｕｒｆａｃｅ－ｅｎｈａｎｃｅｄＲａｍａｎｓｃａｔｔｅｒｉｎｇＷｕＪｉａｌａｏ；ＨｕａｎＹｉｘｉａｎＦｕＫｅｄｅ；ＺｈａｎｇＰｅｎｇｘｉａｎ...