金刚石膜的计算机虚拟制备技术中的分子动力学模拟

综述了近年来金刚石薄膜形成过程的分子动力学（Molecular Dynamics，简称MD）模拟研究，详细地阐述了原子间相互作用势的选取，总结了不同沉积条件下MD的计算模型和几种典型情况下的模拟结果。研究表明：在原子尺度上，MD方法能较全面地提供有关膜生长的信息，对进一步了解金刚石膜形成的微观机制以及为细观层次仿真提供基本信息均具有重要意义。     

NiTi形状记忆薄膜的显微结构和力学性能

NiTi形状记忆合金薄膜具有形状记忆效应，极有希望用于制造高技术领域微电子机械系统中的微型激发器。NiTi形状记忆合金薄膜在制备和使用过程中需要高品质（衬）底材。本文利用高分辨电子显微学和高分辨分析电子显微学详细研究了硅底材NiTi形状记忆合金薄膜的NiTi／Si和NiTi／SiO2微结构体系，包括薄膜精细结构和界面反应。也研究了其显微结构和力学性能的关系。特别给出了NiTi形状记忆合金薄膜产生疲劳过程的微观过程的起因，通过高达十万个使用热循环前后样品显微结构变化的比较，发现纳米尺度上的TiNi3新相的形成导致疲劳过程的发生。如何抑制TiNi3新相形成的研究正在进行之中，这将为进一步提高NiTi形状记忆合金的使用寿命指出方向。     

光漂白法制备有机聚合物非线性定向耦合器

研究了用光漂白的方法制备PMMA/DR1聚合物非线性定向耦合器,提出了一种容易的制备方法来得到要求的耦合长度.测量了材料的光学非线性对定向耦合器两臂透过率的影响.实验结果表明由于光学非线性,耦合器的耦合长度随着入射光强度的改变而发生变化.     

生长温度对等离子体增强化学气相沉积生长ZnO薄膜质量的影响

以Zn(C2 H5) 2 和CO2 为反应源 ,在低温下用等离子体增强化学气相沉积方法 ,在Si衬底上外延生长了高质量的ZnO薄膜。用X射线衍射谱和光致发光谱研究了衬底温度对ZnO薄膜质量的影响。X射线衍射结果表明 ,在生长温度为2 3 0℃时制备出了高质量 ( 0 0 0 2 )择优取向的ZnO薄膜 ,其半高宽为 0 2 6°。光致发光谱显示出强的紫外自由激子发射与微弱的与氧空位相关的深缺陷发光 ,表明获得了接近化学配比的ZnO薄膜     

Preparation and photochromism of nanocomposite thin film based on polyoxometalate and polyethyleneglycol

A photochromic nanocomposite based on Keggin structure phosphomolybdic acid (PMoA) well dispersed in polyethyleneglycol (PEG) was fabricated. TEM image showed that PMoA nanoparticles with narrow size distribution were finely dispersed in polymer matrix. FT-IR results showed that the Keggin geometry of polyoxometalates was still preserved inside the composites and strong coulombic interaction was built between PMoA and polymer matrix. Under UV irradiation, the film was reduced photochemically to yield a blue species, which was in accordance with a charge-transfer mechanism.     

Corner flow in free liquid films

A lubrication-flow model for a free film in a corner is presented. The model, written in the hyperbolic coordinate system ξ = x ² −y ², η = 2xy, applies to films that are thin in the η-direction. The lubrication approximation yields two coupled evolution equations for the film thickness and the velocity field which, to lowest order, describes plug flow in the hyperbolic coordinates. A free film in a corner evolving under surface tension and gravity is investigated. The rate of thinning of a free film is compared to that of a film evolving over a solid substrate. Viscous shear and normal stresses are both captured in the model and are computed for the entire flow domain. It is shown that normal stress dominates over shear stress in the far field, while shear stress dominates close to the corner. This revised version was published online in October 2005 with corrected page numbers.     

Nanostructured polymer blends: Synthesis and structure

Nanostructured polymer blends prepared via anionic ring opening polymerizations of cyclic monomers in the presence of a pre-made polymer melt exhibit a number of special properties over traditional polymer blends and homopolymers. Here, we report on a simple and versatile method of in situ polymerization of macrocyclic carbonates in the presence of a maleic anhydride polypropylene (mPP) matrix and a surface-active compatibilizer (i.e. PC grafted onto a mPP backbone generated in situ) to yield a micro- and nanostructured polymer blends consisting of a polycarbonate (PC) minor phase, and a polypropylene (PP) major phase. By varying the processing conditions and concentration of the macrocyclic carbonate it was possible to reduce the size of the PC dispersions to an average minor diameter of 150 nm. NMR and TEM characterizations indicate that the PC dispersions do not influence crystal content in the PP phase. Overall, the results point to a simple strategy and versatile route to new polymeric materials with enhanced benefits.     

Optical switching properties of RCo2-type alloy thin films by electrochemical hydrogenation

The switchable optical properties of Pd-protected RCo₂-type Ho_0.6Mm_0.4Co₂ alloy thin films have been investigated in a KOH electrolyte. The reversible optical switching has been carried out simultaneously by measuring transmitted light through the thin film during electrochemical charging–discharging of hydrogen. The dependence of switching speed and cyclic durability of the film on the charging and discharging current density as well as concentration of KOH electrolyte has been studied. In addition, cyclic voltammetric measurements have been performed to examine the hydride formation and decomposition reactions.     

Effects of compressive and tensile stress on the growth mode of epitaxial oxide films

Oxide films were deposited on different substrates by laser molecular beam epitaxy. Reflection high-energy electron diffraction was performed to in situ investigate the change of growth mode and the lattice relaxation during the growth. An asymmetrical phenomenon was found in the two kinds of strain states, compressive stress and tensile stress of heterostructures with different lattice mismatch. In the case of BaTiO₃/SrTiO₃ (2.2%), 2D layer-by-layer growth mode without lattice relaxation can be maintained for a longer period for BTO films on STO with compressive stress, comparing to STO films on BTO with tensile stress. When MgO films were deposited on SrTiO₃ with a large mismatch of 7.8%, compressive stress leads to rapid lattice relaxation with a very thin wet layer, and 3D strained island were observed. As a comparison, SrTiO₃ films on MgO with tensile stress were configured. No RHEED patterns can be observed duo to a large tensile stress.