Atomic-scale simulation of nano-grains:structure and diffusion properties

Nanograins are characterized by a typical grain size from lto 100 nm.Mclecular dynamics aimubations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm.We study the influence of grain size on structure and diffusion properties of the nanograins.The results reveal that as the grain size is reduced,the fraction of grain surface increases significantly,and the surface width is approximately constant；the diffusicn coefficlent is increased sharply,and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10nm.     

PREPARATION AND CATALYTIC ACTIVITY OF BIOACTIVE FIBERS

Two kinds of water-soluble metallophthalocyanines, binuclear cobalt phthalocyanine （Co2Pc2） and binuclear ferric phthalocyanine （Fe2Pc2）, were synthesized through phenylanhydride-urea route and characterized by elemental analysis and FT-IR spectra. Binuclear metallophthalocyanine derivatives （Mt2Pc2） were immobilized on silk fibers and modified viscose fibers to construct bioactive fibers of mimic enzyme. Mt2Pc2 was used as the active center of bioactive fibers, viscose and silk fibers as the microenvironments. The catalytic oxidation ability of bioactive fibers on the malodors of methanthiol and hydrogen sulfide was investigated at room temperature. The experimental results indicated that the catalytic activity of such bioactive fibers was closely correlative to the types ofbioactive fibers and substrates.     

可压稠密气固两相流动过程的模拟计算

基于稠密气体分子运动论和颗粒动理学,建立可压稠密气固两相流动模型。采用梯度模拟来考虑气相可压缩性对气相湍流的影响。模拟计算表明气固两相射流速度沿轴向和径向减小,颗粒浓度下降。气固两相射流具有高的颗粒温度,呈现强烈的气固两相湍流流动特性。     

一类复杂循环排队系统的计算机模拟及其在进程调度中的应用

讨论了顾客到达时间和服务时间与等待队列队长有关的排队系统模拟,顾客服务次数不止1次即出现循环的复杂排队系统,引入到达因子、服务台因子和循环因子,在串并联多服务台情形下建立了4类计算机模拟模型,给出该复杂循环排队系统在进程调度中的应用并进行了计算机模拟.     

基于域分解法的大规模有限元数值计算

描述了在微机并行计算机群上用域分解法对大规模工程问题进行有限元并行分析的方法．为了节省内存和计算时间，开发的系统使用了动态载荷配平和等级分布式数据管理技术．本系统对120万自由度以上的切口拉伸模型顺利地应用并进行了有效的静态弹性应力分析．     

二元液态金属Cu-Ni和Ag-Cu凝固过程的分子动力学模拟研究

用Quantum Sutton-Chen多体势对Ag6Cu4和CuNi液态金属凝固过程进行了分子动力学模拟研究.在冷却速率2×1012到2×1014K/s范围内,CuNi总是形成fcc晶体结构,而Ag6Cu4总是形成非晶态结构.考虑到CuNi及AgCu中原子半径之比分别为1.025和1.13,那么模拟结果证实了原子的尺寸差别是非晶态合金形成的一个主要影响因素.此外采用键对及原子多面体类型指数法对凝固过程中微观结构组态变化的分析,不但能说明二十面体结构在非晶态合金形成和稳定性中所起的关键作用,又有助于对液态金属的凝固过程、非晶态结构特征的深入理解.     

HLS直线加速器调制器系统设计与改造

介绍了合肥同步辐射光源速调管调制器改造项目.在新的设计中采用了开关型恒流PFN充电电源,计算了充电参数,建立了主放电回路的仿真模型,重点分析了电路中反向电压问题,依据仿真结果及分析设计了反向保护电路.给出了运行中的主要波形.最后介绍了新的调制器控制系统.     

碳纤维增强复合材料反射镜的刚度分析

用有限元法对层合板结构和蜂窝夹层结构的两种复合材料反射镜的刚度进行分析计算,分析是以Ex1522环氧树脂为基体,M60J碳为增强材料的平面反射镜为例进行的,分析包括不同铺层取向、顺序的层合板反射镜自重下的镜面变形;对蜂窝夹层结构反射镜,分别比较了以芳纶纸、玻璃布、耐久铝三种夹层材料的反射镜刚度,对比了碳纤维复合材料、铍金属、微晶玻璃为面板材料的反射镜刚度,讨论了不同蜂窝单元结构形状对反射镜刚度的影响.分析表明,对于以Ex1522环氧树脂为基体,M60J碳为增强材料的平面复合材料反射镜,要使其具有相对稳定的面形,应采用单元形状为正三角形铝蜂窝,前后面板各为12层;90/45/0/－45］3层合板的夹层结构.     

机载海洋激光测深系统参量设计与最大探测深度能力分析

详细讨论了机载海洋激光测深系统最大测量深度与相关因子之间的关系，并利用最小可探测信噪比为判据，对机载海洋激光测深系统在白天和晚上工作进行了数值模拟，通过比较最大测量深度与激光脉冲峰值功率、接收视场角、接收口径和光谱接收带宽等关系，确定了系统的主要参量。以确定的参量建立的系统具有白天49m和晚上65m的最大测深能力，可完全满足在沿岸带以及岛礁的测量要求。     

FAST ACCURATE PREDICTION OF BLANK SHAPE IN SHEET METAL FORMING

By using the Finite Element Inverse Approach based on the Hill quadratic anisotrop-ically yield criterion and the quadrilateral element, a fast analyzing software-FASTAMP for the sheet metal forming is developed. The blank shapes of three typical stampings are simulated and compared with numerical results given by the AUTOFORM software and experimental results, respectively. The comparison shows that the FASTAMP can predict blank shape and strain distribution of the stamping more precisely and quickly than those given by the traditional methods and the AUTOFORM.