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针对连续Bernoulli-Euler和Timoshenko梁单元的动态刚度矩阵,分析了在使用连续梁单元 进行结构动态特性分析中的数值问题. 基于连续梁单元的运动方程,导出了连续 Bernoulli-Euler和Timoshenko梁单元的动态刚度矩阵. 分析了影响动态刚度矩阵中双曲函 数自变量的各个独立变量及其产生的影响,并给出了初估连续梁单元合理长度的方法. 使用 单一连续Bernoulli-Euler和Timoshenko梁单元的动态刚度矩阵分别进行了悬臂梁频响曲线 的数值求解. 研究表明,在合理选择连续梁单元的长度时,大多数工程结构的动态特性分析 中都不会产生数值问题.     

Molecular dynamics simulation of decomposition and thermal conductivity of methane hydrate in porous media

The hydrate has characteristics of low thermal conductivity and temperature sensitivity. To further analysis the mechanism of thermal conductivity and provide method for the exploitation, transportation and utilization of hydrate, the effect of decomposition and thermal conductivity of methane hydrate in porous media has been studied by using the molecular dynamics simulation. In this study, the simulation is carried out under the condition of temperature 253.15 K-273.15 K and pressure 1 MPa. The results show that the thermal conductivity of methane hydrate increases with the increase of temperature and has a faster growth near freezing. With the addition of porous media, the thermal conductivity of the methane hydrate improves significantly. The methane hydrate-porous media system also has the characteristics of vitreous body.With the decrease of the pore size of the porous media, thermal conductivity of the system increases gradually at the same temperature. It can be ascertained that the porous media of different pore sizes have strengthened the role of the thermal conductivity of hydrates.     

高压下锗化镁的金属化相变研究

锗化镁是一种窄带半导体,压力作用可以使锗化镁导带底与价带顶的能隙变小.本文基于第一性原理计算了锗化镁在高压下的能带结构以及反萤石相(常压稳定相)和反氯铅矿相(高压相)的焓值,发现在7.5 GPa时反萤石结构锗化镁导带底与价带顶的能隙闭合,预示着半导体相转变为金属相,计算结果还预测在11.0 GPa时锗化镁发生从反萤石结构到反氯铅矿结构的相变.实验研究方面,本文采用长条形压砧在连续加压条件下测量了锗化镁高压下的电阻变化,采用金刚石对顶压砧测量了锗化镁的高压原位拉曼光谱,发现在8.7 GPa锗化镁的电阻出现不连续变化,9.8 GPa以上锗化镁的拉曼振动峰消失.由于金属相的自由电子浓度高会阻碍激发光进入样品,进而引起拉曼振动峰消失,因此我们推测锗化镁在9.8 GPa转变为金属相.     

Ab initio study on the electronic states and laser cooling of AlCl and AlBr

We investigate whether AlCl and AlBr are promising candidates for laser cooling. We report new ab initio calculations on the ground state X~1Σ~+ and two low-lying states(A~1Π and a~3Π) of AlCl and AlBr. The calculated spectroscopic constants show good agreement with available theoretical and experimental results. We also obtain the permanent dipole moments(PDMs) curve at multi-reference configuration interaction(MRCI) level of theory. The transition properties of A~1Π and a~3Π states are predicted, including the transition dipole moments(TDMs), Franck–Condon factors(FCFs), radiative times and radiative width. The calculated radiative lifetimes are of the order of a nanosecond, implying that they are sufficiently short for rapid laser cooling. Both AlCl and AlBr have highly diagonally distributed FCFs which are crucial requirement for molecular laser cooling. The results demonstrate the feasibility of laser cooling AlCl and AlBr, and we propose laser cooling schemes for AlCl and AlBr.     

Hybrid density functional study on lattice vibration,thermodynamic properties,and chemical bonding of plutonium monocarbide

Hybrid density functional theory is employed to systematically investigate the structural,magnetic,vibrational,thermodynamic properties of plutonium monocarbide(Pu C and Pu C_(0.75)).For comparison,the results obtained by DFT,DFT + U are also given.For Pu C and Pu C_(0.75),Fock-0.25 hybrid functional gives the best lattice constants and predicts the correct ground states of antiferromagnetic(AFM) structure.The calculated phonon spectra suggest that Pu C and Pu C_(0.75) are dynamically stable.Values of the Helmholtz free energy ?F,internal energy ?E,entropy S,and constant-volume specific heat C_v of Pu C and Pu C_(0.75) are given.The results are in good agreement with available experimental or theoretical data.As for the chemical bonding nature,the difference charge densities,the partial densities of states and the Bader charge analysis suggest that the Pu–C bonds of Pu C and Pu C_(0.75) have a mixture of covalent character and ionic character.The effect of carbon vacancy on the chemical bonding is also discussed in detail.We expect that our study can provide some useful reference for further experimental research on the phonon density of states,thermodynamic properties of the plutonium monocarbide.     

ZnO纳米针阵列合成及台阶动力学生长机理研究

采用化学气相沉积系统,不用催化剂,生长过程中采用变温技术,在Si基片上合成了ZnO纳米针阵列.扫描电子显微图(SEM)显示ZnO纳米针阵列整齐密集生长在基片上,其棒状部分粗细均匀,直径约100 nm.透射电子显微照片(TEM)显示ZnO纳米针尖端呈现一系列的台阶.X射线衍射(XRD)图谱上只存在ZnO的(002)衍射峰,说明ZnO纳米针沿c轴择优取向.运用台阶动力学和奇异面生长理论分析表明ZnO纳米棒是典型的奇异面上单二维成核法向层生长机制.当单圈圆台阶扫过整个晶面的时间ts大于奇异面法向生长一个台阶高度所用时间tn时,在纳米棒顶端形成针尖;当单圈圆台阶扫过整个晶面的时间ts小于或等于奇异面法向生长一个台阶高度所用时间tn时,在纳米棒顶端不能形成针尖.     

A new layered space--time detection algorithm for frequency selective fading multiple-input multiple-output channels based on particle filter

In this paper, a new observation equation of non-Gaussian frequency selective fading Bell Labs layered space time (BLAST) architecture system is proposed, which is used for frequency selective fading channels and non-Gaussian noise in an application environment of BLAST system. With othogonal matrix triangularization (QR decomposition) of the channel matrix, the static observation equation of frequency selective fading BLAST system is transformed into a dynamic state space model, and then the particle filter is used for space--time layered detection. Making the full use of the finite alphabet of the digital modulation communication signal, the optimal proposal distribution can be chosen to produce particle and update the weight. Incorporated with current method of reducing error propagation, a new space--time layered detection algorithm is proposed. Simulation result shows the validity of the proposed algorithm.     

利用光电检测技术分析光栅衍射

本文利用光电检测技术对光盘光栅的衍射特性进行研究.实现了对分光范围、衍射光强分布、衍射叠级、自由光谱范围、衍射角与衍射光波长的线性度、角分辨率和光栅常数等光栅参数的观测和计算.该实验结果与衍射理论结果一致.该方法在一定程度上弥补传统光栅实验的不足,有利于增进本科生对大学光学中衍射光栅的认识.     

水中爆炸冲击波测试技术研究

改进锰铜压力计，ＰＶＤＦ压力计算测试系统，并用该系统进行实验研究，得到了ＴＮＴ／ＲＤＸ＝４０／６０炸药球水国爆炸冲击波在１≤Ｒ／Ｒ０≤１２０范围内的峰值压力随距离的衰减规律。     

硫在Fe(100)面吸附的第一性原理研究

基于密度泛函理论的第一性原理方法,在广义梯度近似下,计算了硫原子在Fe(100)面吸附的结构和电子性质,并计算了其分子轨道和吸附能.同时讨论了相关吸附性质与硫原子表面覆盖度(0.25～1.0ML)的关系.结果表明:硫原子吸附在H住最稳定,吸附能均随浓度的增加而单调增加;B位吸附的硫原子与Fe(100)表面的距离随浓度非单调变化,在0.5 ML时达到最大,是由较高的局域电子云重叠产生的排斥作用所导致;对比分析吸附前后硫和Fe的s及p电子的态密度,显示了硫化亚铁的生成.