Standardization of Methods for Characterizing the Surface Geometry of Solids

Since a comprehensive survey published in 1999 [1] much work was done in standardizing measuring methods to characterize the surface geometry of dispersed and/or porous solids and to certify reference materials. The present paper is an extension of a short communication [2]. It gives a survey on existing standards and reports on new drafts and proposals.     

用改进嵌入原子法计算Cu晶体的表面能

用改进嵌入原子法(MEAM)计算了Cu晶体12个晶面的表面能.结果表明，密排面(111)的表面能最小.其他晶面的表面能随其晶面与(111)晶面夹角的增加而增加，据此可以粗略地估计各晶面表面能的相对大小.给出的几何结构因子的确定方法及结果可以直接用于计算其他面心立方晶体的表面能及其他特性.在Cu,Ag等面心立方薄膜中出现(111)择优取向或织构的机理是表面能的最小化. 关键词： 改进嵌入原子法 铜 表面能 计算     

Microstructure and high-temperature wear resistance of a laser surface alloyed γ-TiAl with carbon

TiC reinforced composite coating on γ-TiAl alloy was successfully fabricated by laser surface alloying with carbon. The fine TiC reinforcing phase had a gradient distribution in the coating, and its growth morphology of TiC in laser surface alloyed coating was in unique faceted platelet-like. The composite coating exhibited high hardness and excellent high-temperature sliding wear resistance.     

向列液晶表面弹性能K13项的物理效应及检验方法

通过解析推导和数值计算的方法，得到了平衡态指向矢满足的微分方程和边界条件.研究了表面弹性能K13项对磁场作用下的弱锚定向列液晶盒Fréedericksz转变性质的影响.结果表明，表面弹性能K13项的存在对液晶系统的自由能有很大的影响，从而改变转变的性质，诱导液晶盒在阈值点发生一级Fréedericksz转变.给出了发生一级转变的物理条件，它除了与液晶的结构和材料有关外，还依赖于液晶表面弹性能K13项，同时给出了由此判断K13项是否存在的检验方法. 关键词： 表面弹性能K13项 弱锚定 Fréedericksz转变     

Compact Kähler Surfaces with Trivial Canonical Bundle

The classical conjectures of Weil on K3 surfaces – that the set of suchsurfaces is connected; that a version of the Torelli theorem holds; thateach such surface is Kähler; and that the period map issurjective – are reconsidered in the light of a generalisation of theNakai–Moishezon criterion, and short proofs of all the conjectures aregiven. Most of the proofs apply equally or with minor variation tocomplex 2-tori, the only other compact Kähler surfaces with trivialcanonical bundle.     

A theoretical analysis of the TiO2/Sn doped (1 1 0) surface properties

We have used the periodic quantum-mechanical method with density functional theory at the B3LYP level in order to study TiO₂/Sn doped (1 1 0) surfaces and have investigated the structural, electronic and energy band properties of these oxides. Our calculated relaxation directions for TiO₂ is the experimental one and is also in agreement with other theoretical results. We also observe for the doped systems relaxation of lattice positions of the atoms. Modification of Sn, O and Ti charges depend on the planes and positions of the substituted atoms. Doping can modify the Fermi levels, energy gaps as well as the localization and composition of both valence and conduction band main components. Doping can also modify the chemical, electronic and optical properties of these oxides surfaces increasing their suitability for use as gas sensors and optoelectronic devices.     

微型燃气轮机回热器换热表面的对比研究

采用高效紧凑式换热器是近年来微型燃气轮机发展取得成功的关键技术之一。本文在燃机参数给定情况下,通 过对三种换热表面进行热力计算和分析,结果表明,CC原表面在紧凑式换热器中具有较强的应用潜力。此外,还就温差 对压损的影响及燃气旁通量对回热度的影响进行了研究。     

Convergence of multistep discretizations of DAEs

Standard ODE methods such as linear multistep methods encounter difficulties when applied to differential-algebraic equations (DAEs) of index greater than 1. In particular, previous results for index 2 DAEs have practically ruled out the use of all explicit methods and of implicit multistep methods other than backward difference formulas (BDFs) because of stability considerations. In this paper we embed known results for semi-explicit index 1 and 2 DAEs in a more comprehensive theory based on compound multistep and one-leg discretizations. This explains and characterizes the necessary requirements that a method must fulfill in order to be applicable to semi-explicit DAEs. Thus we conclude that the most useful discretizations are those that avoid discretization of the constraint. A freer use of e.g. explicit methods for the non-stiff differential part of the DAE is then possible.Dedicated to Germund Dahlquist on the occasion of his 70th birthdayThis author thanks the Centro de Estadística y Software Matemático de la Universidad Simón Bolivar (CESMa) for permitting her free use of its research facilities.Partial support by the Swedish Research Council for Engineering Sciences TFR under contract no. 222/91-405.     

Synthesis and adsorption properties of gold nanoparticles within pores of surface‐functional porous polymer microspheres

Mesoporous polymer microspheres with gold (Au) nanoparticles inside their pores were prepared considering their surface functionality and porosity. The Au/polymer composite microspheres prepared were characterized by transmission electron microscope (TEM), X‐ray diffraction (XRD), and Brunauer–Emmett–Teller (BET) techniques. The results showed that the adsorption of Au nanoparticles could be increased by imparting the pore structure and surface‐functional groups into the supporting polymer microspheres (in this study, poly (ethylene glycol dimethacrylate‐co‐acrylonitrile) and poly (EGDMA‐co‐AN) system). Above all, from this study, it was established that the porosity of the polymer microspheres is the most important factor that determines the distribution and adsorption amount of face‐centered cubic (fcc) Au nanoparticles in the final products. Our study showed that the continuous adsorption of Au nanoparticles with the aid of the large surface area and surface interaction sites formed more favorably the Au/polymer composite microspheres. The BET measurements of Au/poly(EGDMA‐co‐AN) composite microspheres reveals that the adsorption of Au nanoparticles into the pores kept the pore structure intact and made it more porous. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5627–5635, 2004