晶体微观结构的数值计算

晶体微观结构是晶体材料在特定物理条件下其多个能量极小平衔态在空间形成的某种微尺度的规则分布．几何非线性的连续介质力学理论可以用能量极小化原理来解释晶体微观结构的形成，并用Young测度来刻画平衡态各变体在空间的概率分布．定性的理解与定量地分析和计算晶体材料的微观结构对于发展和改进高级晶体功能材料，如形状记忆合金、铁电体、磁至伸缩材料等，有重要的意义．本文回顾了近年来晶体微观结构数值计算方面的最新进展．介绍了计算晶体微观结构的几种数值方法及有关的数值分析结果。     

ZrO2纳米粉等离子喷涂层组织与性能

用纳米结构粉末做喂料进行喷涂，缩短了颗粒熔化时间，在有限的飞行时间内，颗粒熔化效果更好，从而制备的涂层孔隙率更小，表面更平整。用ZrO2纳米结构喂料制备了等离子喷涂层，研究了功率、粒度、氧化钇含量等工艺参数条件下涂层的微观组织、孔隙率、相组成及抗热震性能。经X衍射分析表明，原始粉末由m-ZrO2,t-ZrO2,c-ZrO2构成，单斜相的含量为11％，主要由四方相和立方相构成。     

单调全局最优化问题的凸化外逼近算法

单调优化是指目标函数与约束函数均为单调函数的全局优化问题．本文提出一种新的凸化变换方法把单调函数化为凸函数，进而把单调优化问题化为等价的凸极大或凹极小问题，然后采用Hoffman的外逼近方法来求得问题的全局最优解．我们把这种凸化方法同Tuy的Polyblock外逼近方法作了比较，通过数值比较可以看出本文提出的凸化的方法在收敛速度上明显优于Polyblock方法．     

Spectra Analysis of a Novel Ti-Doped LiAlO2 Single Crystal

LiAlO2 single crvstals doped with Ti at concentration 0.2at.% are grown by the Czochralskl technique with dimensions φ42×55mm. Ti ions in the crystal are quadrivalence proven by comparing the absorption and fluorescence spectra of pure LiAlO2 and Ti： LiAlO2. After air and Li-rich atmosphere annealing, the absorption peaks in the range of 600-800nm disappear. We conclude that 682 and 756nm absorption peaks are attributed to the VLi and Vo absorptions, respectively： The peaks at 716nm and 798nm may stem from the VLi^＋ and absorptions. The colour-centre model can be applied to explain the experimental phenomena. Ti^4＋-doping produces more lithium vacancies in the LiAlO2 crystal. The intensities of [LiO4] and the associated bonds remain unchanged, which improves the anti-hydrolyzation and thermal stability of LiAlO2 crystals.     

当代文学＂民间＂研究的旧问题与新思考

20世纪90年代中期以来,知识分子民间立场、民间文化形态、民间审美形态、民间隐形结构等一系列学术范畴的建立,突破了文学史叙述在知识分子/政治意识形态、传统/现代等二元结构上的局限,拓展了文学研究的多维文化空间.     

r（1S）的强衰变及粲重子结构的研究

在微拢QCD框架内，利用重子结构的夸克模型，计算了r→pp^-ΛcΛ^-c,∑c∑^-c,ΞcΞ^-c,Ξcc Ξcc-,ΩcccΩ^-ccc。衰变的分支比，讨论了在T衰变中寻找Ωccc粲重子的可能性．     

NECESSARY CONDITIONS FOR OPTIMAL CONTROLS OF SEMILINEAR ELLIPTIC VARIATIONAL INEQUALITIES INVOLVING STATE CONSTRAINT

This paper deals with maximum principle for some optimal control problem governed by some elliptic variational inequalities. Some state constraints are discussed. The basic techniques used here are based on those in [1] and a new penalty functional defined in this paper.     

Viscosity Characteristic in Metallic Melts with Medium／Short-Range Order Structures

Viscosities and liquid structure of alloys Cu75Al25, Cu87Sn13 and Al-12.5%Si and pure metals Cu and Sn are investigated by using torsional oscillation viscometry and high temperature x-ray diffractometry. The viscosities of pure metals and eutectic alloy melts along with the short-range order structure are found to follow the Arrhenius law in a wide range of temperature above the liquidus. The breakpoints in Arrhenius plots emerge when the structures of alloy melts are transformed from the medium-range order structure to the short-range order structure. It has been found that the change of the viscosity of the metallic alloys is a characteristic of microstructure transformation in the related melts.     

Nanoporous Structure in Low-Dielectric Films with Positronium Annihilation Lifetime Spectroscopy

We investigate nano-porous structures in thin low-dielectric films, i.e. the pore sizes, distributions, and interconnectivity, by using depth profiled positronium annihilation lifetime spectroscopy (PALS). It is found that PALS has good sensitivity to probe both interconnected and closed pores in the range from 0.3nm to 3Onto, even in the film buried beneath a diffusion barrier. A series of low dielectric constant films of organosilicon-silsequioxane with different weight percentages of porogen have been comparatively investigated. The PALS technique can be used to distinguish the open porosity from the closed one, to determine the pore size, and to detect the percolation threshold with the increasing porosity that represents the transition from closed pores to interconnected pores.Furthermore, the pore percolation length can be derived.     

Structure and Photoluminescence of Nano-ZnO Films Grown on a Si （100） Substrate by Oxygen- and Argon-Plasma-Assisted Thermal Evaporation of Metallic Zn

Nano-ZnO thin films were prepared by oxygen- and argon-plasma-assisted thermal evaporation of metallic Zn at low temperature, followed by low-temperature annealing at 300℃ to 500℃ in oxygen ambient. X-ray diffraction patterns indicate that the nano-ZnO films have a polycrystalline hexagonal wurtzite structure. Raman scattering spectra demonstrate the existence of interface layers between Zn and ZnO. Upon annealing at 400℃ for i h, the interface mode disappears, and photoluminescence spectra show a very strong ultraviolet emission peak around 381 nm. The temperature-dependent PL spectra indicate that the UV band is due to free-exciton emission.