Ar adsorptions on Al （111） and Ir （111） surfaces： a first-principles study

We investigate the adsorptions of Ar on Al (111) and Ir (111) surfaces at the four high symmetry sites,i.e.,top,bridge,fcc-and hcp-hollow sites at the coverage of 0.25 monolayer (ML) using the density functional theory within the generalized gradient approximation of Perdew,Burke and Ernzerhof functions.The geometric structures,the binding energies,the electronic properties of argon atoms adsorbed on Al (111) and Ir (111) surfaces,the difference in electron density between on the Al (111) surface and on the Ir (111) surface and the total density of states are calculated.Our studies indicate that the most stable adsorption site of Ar on the Al (111) surface is found to be the fcc-hollow site for the (2 × 2) structure.The corresponding binding energy of an argon atom at this site is 0.538 eV/Ar atom at a coverage of 0.25 ML.For the Ar adsorption on Ir (111) surface at the same coverage,the most favourable site is the hcp-hollow site,with a corresponding binding energy of 0.493 eV.The total density of states (TDOS) is analysed for Ar adsorption on Al (111) surface and it is concluded that the adsorption behaviour is dominated by the interaction between 3s,3p orbits of Ar atom and the 3p orbit of the base Al metal and the formation of sp hybrid orbital.For Ar adsorption on Ir (111) surface,the conclusion is that the main interaction in the process of Ar adsorption on Ir (111) surface comes from the 3s and 3p orbits of argon atom and 5d orbit of Ir atom.     

含分数阶Bingham模型的阻尼减振系统时滞半主动控制

针对基于磁流变液阻尼器的半主动控制系统中存在的时滞问题, 采用了一种将可控的时滞变量引入半主动控制切换条件的控制策略, 研究了考虑时滞的天棚阻尼控制切换条件对半主动阻尼减振系统的影响, 分析了含有分数阶Bingham模型的线性刚度系统在基础激励下的振动特性. 利用平均法得到了系统在含时滞半主动控制策略下主共振响应的近似解析解, 根据Lyapunov理论分析了系统的稳定性. 通过数值解验证了近似解析解的准确性, 二者具有较好的一致性. 利用近似解析解分析了固定激励频率下时滞对系统幅频响应特性的影响, 以及主共振峰值响应和共振频率随时滞变化的特性规律. 结果表明, 含时滞的半主动控制系统存在一个小时滞区间, 使得系统的振幅在主共振峰对应的频率附近低于不考虑时滞时系统的振幅, 且存在最优时滞使得系统的振幅大幅度降低; 而大时滞的引入会加剧系统的振动, 导致系统的颤振. 确定了基于分数阶Bingham模型的线性刚度系统在天棚阻尼半主动控制下的时滞选取原则, 为振动系统半主动阻尼控制中的时滞选取提供了参考.      

V形切口应力强度因子的一种边界元分析方法

将V形切口结构分成围绕切口尖端的小扇形和剩余结构两部分. 尖端处扇形域应力场表示成关于尖端距离$\rho$的渐近级数展开式,从线弹性理论方程推导出了一组分析平面V形切口奇异性的常微分方程特征值问题,通过求解特征方程,得到前若干个奇性指数和相应的特征向量. 再将切口尖端的位移和应力表示为有限个奇性阶和特征向量的组合. 然后用边界元法分析挖去小扇形后的剩余结构. 将位移和应力的线性组合与边界积分方程联立,求解获得切口根部区域的应力场、应力幅值系数和整体结构的位移和应力. 从而准确计算出平面V形切口的奇异应力场和应力强度因子.      

基于可信计算平台的统一认证系统模型

将数字证书技术、认证代理技术和可信计算技术相结合,针对园区网环境,提出了一种基于可信计算平台的统一认证系统模型,该模型通过在计算终端引入可信平台模块、对用户身份统一认证、对计算平台进行身份及完整性验证等方法,解决了存在多个应用系统时口令容易混淆、访问效率低下和终端的可信性难以保证的问题.系统的安全性分析和测试结果表明,用户只需一次认证,即可访问其拥有权限的多个应用系统,效率和安全性得到了很大的提升,而且可以保证终端的可信性.     

Discrete material optimization of vibrating laminated composite plates for minimum sound radiation

This paper deals with vibro-acoustic optimization of laminated composite plates. The vibration of the laminated plate is excited by time-harmonic external mechanical loading with prescribed frequency and amplitude, and the design objective is to minimize the total sound power radiated from the surface of the laminated plate to the surrounding acoustic medium. Instead of solving the Helmholtz equation for evaluation of the sound power, advantage is taken of the fact that the surface of the laminated plate is flat, which implies that Rayleigh’s integral approximation can be used to evaluate the sound power radiated from the surface of the plate. The novel Discrete Material Optimization (DMO) formulation has been applied to achieve the design optimization of fiber angles, stacking sequence and selection of material for laminated composite plates. Several numerical examples are presented in order to illustrate this approach.     

基于静动态混合重构的DG/FV混合格式

通过比较紧致格式和间断Galerkin(DG)格式, 提出了``静态重构'和``动态重构'的概念,对有限体积方法和DG有限元方法进行统一的表述. 借鉴有限体积的思想, 发展了基于``混合重构'技术的一类新的DG格式, 称之为间断Galerkin有限元/有限体积混合格式(DG/FV格式). 该类混合格式通过适当地扩展模板(拓展至紧邻单元)重构单元内的高阶多项式分布, 在提高精度的同时, 减少了传统DG格式的计算量和存储量. 通过典型一维和二维标量方程的计算发现新的混合格式在有些情况下具有超收敛(superconvergence)性质.      

Extraordinary optical transmission through metal gratings with single and double grooved surfaces

We investigate the transmission properties of a normally incident TM plane wave through metal films with periodic parabolic-shaped grooves on single and double surfaces using the finite-difference-time-domain method. Nearly zero transmission efficiency is found at wavelengths corresponding to surface plasmon excitation on a flat surface in the case where the single surface is grooved. Meanwhile, resonant excitation of surface plasmon polariton (SPP) Bloch modes leads to a strong transmission peak at slightly larger wavelengths. When the grating is grooved on double surfaces, the transmission enhancement can be dramatically improved due to the resonant tunnelling between SPP Bloch modes.     

A new method of detecting interferogram in differential phase-contrast imaging system based on special structured x-ray scintillator screen

An x-ray scintillator screen with a special structure,functioning as detector and analyser grating,was proposed for collecting the interferogram of differential phase contrast imaging without absorption grating and difficulty of fabrication by a state of the art technique.On the basis of phase grating diffraction,a detecting model of the scintillator screen was built for analysing the phase and absorption information of objects.According to the analysis,a new method of phase retrievals based on two-images and the optimal structure of screen were presented.     

旋流阻塞与旋流扩散复合内消能泄洪洞的壁面压强特性

结合雅砻江两河口水电站3#导流洞改建的水工模型试验,研究了新型旋流阻塞和旋流扩散复合内消能泄洪洞的壁面压强特性。研究结果表明:在淹没堰流流态时,壁面压强在进口的堰面、竖井段和旋流洞段因阻塞的顶托作用整体增大;在起旋器出口下游侧的旋流洞的顶部仍然存在局部范围的低压区或负压区;在旋流阻塞段,流速增大,壁面压强减小,水流空化数降低;在旋流扩散段,壁面压强略大于或小于大气压。     

对二甲苯分子结构和红外光谱的DFT研究

用密度泛函理论(DFT)-BLYP方法在6-31G*基组水平上结合Onsager模型对液态对二甲苯的几何构型进行了全优化,同时对其振动光谱进行了计算.在Gaussian View3.08程序上对其红外光谱进行了归属,并将计算所得的对二甲苯的红外频率与Sadtler标准红外光谱进行了比较.对Onsager模型的适用性进行了讨论,结果发现,该模型为液态对二甲苯的最稳定构型.