Mechanical Properties of Single-Layer Diamond Reinforced Poly(vinyl alcohol) Nanocomposites through Atomistic Simulation

Low-dimensional carbon nanostructures are ideal nanofillers to reinforce the mechanical performance of polymer nanocomposites due to their excellent mechanical properties. Through molecular dynamics simulations, the mechanical performance of poly(vinyl alchohol) (PVA) nanocomposites reinforced with a single-layer diamond – diamane is investigated. It is found the PVA/diamane exhibits similar interfacial strengths and pull-out characteristics with the PVA/bilayer-graphene counterpart. Specifically, when the nanofiller is fully embedded in the nanocomposite, it is unable to deform simultaneously with the PVA matrix due to the weak interfacial load transfer efficiency, thus the enhancement effect is not significant. In comparison, diamane can effectively promote the tensile properties of the nanocomposite when it has a laminated structure as it deforms simultaneously with the matrix. With this configuration, the interlayer sp³ bonds endows diamane with a much higher resistance under compression and shear tests, thus the nanocomposite can reach very high compressive and shear stress. Overall, enhancement on the mechanical interlocking at the interface as triggered by surface functionalization is only effective for the fully embedded nanofiller. This work provides a fundamental understanding of the mechanical properties of PVA nanocomposites reinforced by diamane, which can shed lights on the design and preparation of next generation high-performance nanocomposites.     

PECVD法低温沉积多晶硅薄膜的研究

在玻璃衬底上采用常规的PKCVD法在低温(≤400℃)条件下制得大颗较(直径＞100nm)、择优取向(220)明显的多晶硅薄膜。选用的反应气体为SiF4和H2混合气体。加入少量的SiH4后，沉积速率提高了近10倍。分析认为，在低温时促使多晶硅结构形成的反应基元应是SiFmHn(m n≤3)，而不可能是SiHn(n≤3)基团。     

基于AFM的微结构加工实验研究

本文建立了微动工作台和原子力显微镜相结合的微加工系统，在该系统上采用金刚石针尖进行微加工实验，与SPI系统本身的刻划软件刻划出的图形进行了比较分析，得出这个系统适合微结构的加工；并给出了采用该方法加工的1111面及多边形面微结构；还分析了金刚石针尖几何角度及SPM和工作台的相关参数对加工的影响。     

预处理工艺对硬质合金与金刚石膜间粘结力的影响

在两种经不同预处理的硬质合金YG8基底上，采用微波等离子体化学气相沉积法，在微波功率2kW，压强4.0kPa和6.5kPa，CH4和H2流量分别为1.6cm/s和100.0cm/s的条件下生长金刚石薄膜。利用X射线衍射检测了金刚石薄膜是否存在，用拉曼光谱分析了薄膜的质量，用金相显微镜观察了薄膜的洛氏硬度压痕，标定并比较了不同预处理工艺膜与基底的结合力。实验结果表明，不同的预处理方法对于粘结力的影响不大，最主要的因素是钴含量的多少。     

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。     

Evolution of grain structure in thin film reactions

In this paper, we examine, both experimentally and theoretically, the kinetics of formation and microstructure of product phases in thin film reactions, using the Nb/Al and Ti/Al systems as our prototypes. The results of calorimetry and microscopy studies are interpreted using simple kinetic and morphology models. In particular, the kinetic models employed here focus on the nucleation and growth components of the phase formation process and the morphology models provide a starting point for the classification of product grain structures. An erratum to this article is available at .     

金刚石薄膜异质外延的研究进展

主要介绍金刚石薄膜在Si上异质外延的研究状况。综述了外延金刚石薄膜的偏压形核 ,SiC过渡层的影响及一些实验参数对外延薄膜质量的影响等 ,并论述了发展方向     

成形磨削中砂轮修整精度的研究

成形磨削一般采用金刚石笔来修整所需要的砂轮形状，金刚石笔在安装中的位置误差将影响被加工工件的精度，本文对此误差的大小进行了分析。     

Electrochemical oxidation of several chlorophenols on diamond electrodes Part I. Reaction mechanism

The electrochemical oxidation of 4-chlorophenol, 2,4-dichlorophenol and 2,4,6-trichlorophenol aqueous wastes using boron-doped diamond electrodes was studied. This treatment led to complete mineralization of the wastes regardless of the operating conditions. A simple mechanistic model is consistent with the voltammetric and electrolysis results. According to this model, the electrochemical treatment of chlorophenol aqueous wastes involves the anodic and cathodic release of chlorine followed by the formation of non-chlorinated aromatic intermediates. Subsequent cleavage of the aromatic ring gives rise to non-chlorinated carboxylic acids. Chlorine atoms arising from the hydrodehalogenation of the chlorophenols are converted into more oxidized molecules at the anode. These molecules react with unsaturated C₄ carboxylic acid to finally yield trichloroacetic acid through a haloform reaction. The non-chlorinated organic acids are ultimately oxidized to carbon dioxide and the trichloroacetic acid into carbon dioxide and volatile organo-chlorinated molecules. Both direct and mediated electrochemical oxidation processes are involved in the electrochemical treatment of chlorophenols.     

Effect of epitaxial realignment on the leakage behavior of arsenic-implanted,as-deposited polycrystalline Si-on-single crystal Si diodes

When dopants are indiffused from a heavily implanted polycrystalline silicon film deposited on a silicon substrate, high thermal budget annealing can cause the interfacial “native” oxide at the polycrystalline silicon-single crystal silicon interface to break up into oxide clusters, causing epitaxial realignment of the polycrystalline silicon layer with respect to the silicon substrate. Anomalous transient enhanced diffusion occurs during epitaxial realignment and this has adverse effects on the leakage characteristics of the shallow junctions formed in the silicon substrate using this technique. The degradation in the leakage current is mainly due to increased generation-recombination in the depletion region because of defect injection from the interface.