Hexa-Coordinate phosphorus Chemistry and Life Chemistry

The amino acids' side chains were acting as the relay device to regulate the chemical reactivi-ties of the N-phosphoryl amino acids. These modulation effects were performed through the partici-pation of the phosphoryl group.     

碳化硅多型体连生现象的X射线研究

本工作用劳埃法对分布于三十二炉的四百多个碳化硅单晶进行了类型分布、连生规律和结构完整性等的分析。大量的观察表明,碳化硅片状晶体中的共轴平行连生是一种普遍的现象,二种以上类型的连生占晶体总数的三分之二。文中列出了各种连生类型的统计。系统地报导了SiC晶体连生状况的X射线法实验结果。对各炉晶体所作的类型分布的分析表明,不同的制备条件下影响较大的是颜色和结构完整度。类型分布的规律性并不明显,邻近的晶体类型可以完全相异。用实验数据分析了类型、颜色和蚀坑间的关系。对碳化硅多型体产生的机理作了讨论。     

基于影像处理的干涉测量相位重构研究

随着计算机技术和光电成像元件的发展,影像信息处理技术已经在无损检测、医学检测以及干涉测量等领域得到广泛应用。本文主要研究了影像信息在干涉测量领域的波前相位提取方法。干涉条纹图是干涉测量领域中影像信息的载体,在干涉条纹处理方面,针对空域卡雷算法的特点,提出一种基于影像处理的单幅闭合干涉条纹图相位重构新算法。在空域卡雷算法处理方法的基础上,利用迭代修正算法对干涉图相位进行二次逼近,实现了对单幅干涉条纹图的高精度相位重构。Matlab仿真结果表明,迭代修正后的相位残差降低了25.8%,表明该算法在空域卡雷算法的基础上能够有效提高相位重构精度,实现干涉测量领域中影像信息的高精度处理。     

激光全息光刻技术在微纳光子结构制备中的应用进展

微纳光子结构研究随着光子学、半导体物理学及微加工技术的发展而逐渐蓬勃开展,并在其结构、理论、制备技术等方面取得了系列进展。受限于目前的微加工技术水平,要成功制备大尺度、高质量的光子材料仍然存在着一定挑战。激光全息光刻技术作为一种简便快捷的微结构制作技术已经发展成为一种经济快速制作大面积微纳超材料及光子晶体模板的重要手段。介绍了激光全息光刻技术的原理,详细阐述了该技术在制作三维面心立方、木堆积结构、金刚石结构光子晶体以及光学周期类准晶、手性超材料、周期性缺陷结构等微纳光子结构中的应用研究进展。激光全息光刻技术成功制作微纳光子结构为光子材料在更多领域的广泛应用提供了基础和方法。     

用范德保法测量碳化硅的电阻率和霍耳效应

应用范德保法测量了电阻率在10^-3—10²欧姆·厘米范围的n型和p型碳化硅单晶和外延层的电学性质。进行了测定条件的选择,范德保法与普通法的对照等试验。发现接触电阻的大小和稳定程度对测量结果有极大的影响。在铟、紫铜、锡、磷铜等机械接触中,铟电极具有最低的接触电阻,其他电极须经电冶成方能进行测定。在不同的电极材料和样品电流下,电阻率偏离约2%,指出,样品电流应当根据具体样品的电阻率和接触电阻加以选择。与普通法比较,范德保法精确度高,数据重复性好。测量了自室温至1000°K范围内碳化硅单晶的高温电学性质,求得氮施主的电离能为0.056电子伏。讨论了引起实验误差的一些异常现象及其产生原因。     

The extrapolation of phase equilibrium curves of mixtures in the isobaric—isothermal Gibbs ensemble

A powerful extrapolation scheme is proposed to determine the vapour—liquid and liquid—liquid equilibrium curves of mixtures by performing a single isothermal-isobaric Gibbs ensemble Monte Carlo (GEMC) simulation. The coexistence curves for the mole fraction and the density are extrapolated as functions of the temperature and the pressure by second-order Taylor series. The coefficients of the Taylor series, which are the temperature and pressure derivatives of these quantities along the coexistence curves, can be calculated from the data produced by a single GEMC simulation on the basis of fluctuation formulas. We show that the application of a Padé approximant considerably widens the temperature and pressure range where the extrapolation is accurate. Using Lennard-Jones mixtures as test systems, we show that the technique is able to produce quite accurate equilibrium curves at fixed temperature in the function of the pressure and vice versa. The procedure yields good results not only for vapour—liquid but also for liquid—liquid coexistence curves. The calculation of the vapour pressure curves at a fixed composition of the liquid side is straightforward with the method.     

The extrapolation of the vapour—liquid equilibrium curves of pure fluids in the isothermal Gibbs ensemble

A powerful extrapolation scheme is proposed to determine the vapour-liquid equilibrium (VLE) curves of pure molecular fluids over a finite temperature range by performing a single Gibbs ensemble Monte Carlo (GEMC) simulation. The VLE curves of the various thermodynamic quantities are extrapolated as functions of the temperature by second-order Taylor series. The coefficients of the Taylor series, which are the temperature derivatives of these quantities along the VLE curves, can be calculated from a single GEMC simulation using Clapeyron-like equations and fluctuation formulas containing double or triple correlations. It is shown that the application of a Padé approximant considerably widens the temperature range where the extrapolation is accurate. The efficiency of the method is demonstrated by applying it on the Lennard-Jones fluid and a three-site model of carbon dioxide. The procedure is found to be a very useful tool that is able to reproduce the VLE curves over a considerable temperature range. The procedure makes it possible to calculate the saturation heat capacity from fluctuation formulas.     

Role of initial complexes in 1,2-addition reactions of disilene derivatives

Mechanisms of four 1,2-addition reactions, H₂Si=SiHMe + H₂O, H₂Si=SiHF + H₂O, H₂Si=SiH(C≡CH) + H₂O, H₂Si=SiH(NH₂) + HF, were investigated in detail by the ab initio MO method using a recent approach combined with frontier MO theory. Twelve reaction pathways were found. The initial step of each reaction is the formation of a weakly bonded complex. According to the structure and the charge distribution of the complexes, the reactions are categorized into two types. Reactions starting from electrophilic interaction between the LUMO of water (or hydrogen fluoride) and the HOMO of disilene always result in syn-adducts. On the other hand, nucleophilic interaction between the HOMO of the water and the LUMO of disilene leads both syn and anti adducts. Depending on the acidity of the reagent and the charge on the silicon to be attacked, the reactions proceed in simple one-step mechanisms or in two-step ones via a Lewis-type complex. The paired interacting orbitals of the initial complexes were examined in order to predict the reaction pathways.     

基于自由曲面的LED准直透镜设计

本文基于准直光束照明的自由曲面透镜设计方法,设计了一种以单颗LED为光源的准直透镜,其可应用于投影仪的照明系统。根据几何光学原理构造自由曲面,该方法无需求解复杂的偏微分方程,计算简单。准直透镜由内自由曲面折射面、球面、抛物面全反射曲面以及平面组成,利用Matlab编程求出自由曲面轮廓曲线的离散数据点,导入Solidworks中进行曲线拟合,建立透镜的实体模型。为探讨LED光源尺寸对准直透镜光斑影像的影响,在Tracepro中对透镜进行非序列光线追迹,模拟结果表明:当光源半径不大于1 mm时,其光学效率达到86.26%以上,视场半角达到3.3度以内。     

用电发光法测量碳化硅少数载流子寿命的若干问题

本文介绍一种测量碳化硅半导体少数载流子寿命的方法,叙述有关的原理和测试设备,并就对测试结果有极大影响的谐振干扰、点接触的电学性质和电发光特性等问题进行了试验。提出了若干可以避兔谐振干扰、防止触点旁路并控制整流比的有效措施。推荐采用焊铟方法制备低阻接触。指出,为了保证实验结果的可靠性,测试前必须了解样品的发光特性。采用这种方法测定了若干碳化硅单晶的少数载流子寿命,测得值一般低于4.2×10^-9秒。