团簇Aun+1-1、AunCr-1 (n=1-10)吸附CO的密度泛函理论研究

采用密度泛函理论对CO在阴离子团簇Aun+1-1、AunCr-1(n=1-10))表面的吸附做了系统研究.结果表明,团簇Aun+1CO-1、AunCrCO-1的基态结构是在团簇Aun+1-1、AunCr-1最低能量结构的基础上吸附CO形成; 吸附后的CO键长变长,振动频率减小,表明CO分子被活化;取值相同时,AunCrCO-1的平均结合能高,表明团簇Aun+1CO-1掺杂Cr后稳定性升高.HOMO-LOMO能隙结果表明Aun+1CO-1替代掺杂Cr原子后团簇的化学活性得到了提升,AunCrCO-1、Aun+1CO-1团簇能隙具有奇偶振荡的现象;轨道电荷分析表明CO与团簇相互作用实质是C原子与成键Au原子或Cr原子间转移电荷,CO在与团簇相互作用过程中O原子轨道电荷分布几乎没有发生变化.     

Some Properties for the Euclidean Distance Matrix and Positive Semidefinite Matrix Completion Problems

The Euclidean distance matrix (EDM) completion problem and the positive semidefinite (PSD) matrix completion problem are considered in this paper. Approaches to determine the location of a point in a linear manifold are studied, which are based on a referential coordinate set and a distance vector whose components indicate the distances from the point to other points in the set. For a given referential coordinate set and a corresponding distance vector, sufficient and necessary conditions are presented for the existence of such a point that the distance vector can be realized. The location of the point (if it exists) given by the approaches in a linear manifold is independent of the coordinate system, and is only related to the referential coordinate set and the corresponding distance vector. An interesting phenomenon about the complexity of the EDM completion problem is described. Some properties about the uniqueness and the rigidity of the conformation for solutions to the EDM and PSD completion problems are presented.     

Robust Output Tracking Control of an Uncertain Linear System via a Modified Optimal Linear-Quadratic Method

This study investigates the robust output tracking problem for a class of uncertain linear systems. The uncertainties are assumed to be time invariant and to satisfy the matching conditions. According to the selected nominal parameters, an optimal solution with a prescribed degree of stability is determined. Then, an auxiliary input via the use of an adapting factor, connected to the nominal optimal control, is introduced to guarantee the robustness and prescribed degree of stability for the output tracking control of the uncertain linear systems. This method is very simple and effective and can reject bounded uncertainties imposed on the states. A maglev vehicle model example is given to show its effectiveness.     

The deformation of the neutron-rich isotopes102Mo and104Mo

The half-lives of low-lying levels of the neutron-rich isotopes¹⁰²Mo and¹⁰⁴Mo have been measured at the fission product separator Josef with the ß-- triple coincidence technique. Values of t_1/2= 126(4)ps and 0.72(4)ns have been obtained for the 2₁ ⁺ levels at 296 keV and 192 keV in¹⁰²Mo and¹⁰⁴Mo, respectively. Deformation parameters of ß_q=0.28(1) and 0.31(1), respectively, are deduced, which are smaller than those of the isotones of Sr and Zr. The interacting boson model accounts well for the trend of 2⁺ energies in the Mo isotopes but slightly overpredicts the B(E2) values at saturation. A smooth dependence of 2₁ ⁺ vs. E 2₁ ⁺ is found for the A 100 region in agreement with the hydrodynamical model.Dedicated to Prof. Dr. P. Kienle on the occasion of his 60th birthday     

一类基于变量分离的稳定化混合有限元方法

Based on a seperated model for saddle-point problems, we develop a new sta-bilized mixed finite element method. Such a model consists of two subproblems with respect to the primal and the dual variables, respectively. We show that the new method is coercive and that optimal error bounds hold. As an application,the nearly incompressible elastic problem is analyzed with our method.     

过渡金属化合物OsB2与OsO2低压缩性的第一性原理计算研究

利用基于密度泛函理论平面波赝势法的第一性原理计算,研究了过渡金属化合物OsB2和OsO2的金红石相、黄铁矿相与萤石相三种结构在高压下的状态方程和结构特性以及OsO2可能的高压相变.理论计算结果支持OsB2与OsO2的萤石相是潜在超低可压缩性的硬性材料.同时,也分析了它们的电子结构,力求理解大体变模量和高硬度的微观机制.结果表明,可以利用过渡金属高的价电子浓度,掺入硼、氧、碳、氮等轻的元素形成强的方向键,这可能提供了一种合成超硬材料的新途径.     

Linear Theory of Free Electron Laser with a Plasma-Loaded Cylindrical Waveguide

The dispersion characteristics of plasma–loaded free-electron laser has been analyzed using linear fluid model. The device under consideration consists of the cylindrical metallic waveguide, completely filled with background plasma and a relativistic electron beam which passes through a helical wiggler magnetic field. The result predicts that reasonable plasma density tends to improve the growth rate of the low-frequency optical wave of FEL and causes an shiftup in the operating frequency, However it has little effect on the growth rate of the high-frequency wave. In the plasma–loaded FEL, for the FEL oscillator, it may be tuned by varying the plasma density; and for the FEL amplifier, the wider frequency bandwidth is gained. A critical density n ^c _p for the background plasma density is found.     

New approach for deriving the exact time evolution of density operator for diffusive anharmonic oscillator and its Wigner distribution function

Using the thermal entangled state representation, we solve the master equation of a diffusive anharmonic oscillator (AHO) to obtain the exact time evolution formula for the density operator in the infinitive operator-sum representation. We present a new evolution formula of the Wigner function (WF) for any initial state of the diffusive AHO by converting the calculation of the WF to an overlap between two pure states in an enlarged Fock space. It is found that this formula brings us much convenience to investigate the WF's evolution of any known initial state. As applications, this formula is used to obtain the evolution of the WF for a coherent state and the evolution of the photon-number distribution of the diffusive AHO.     

监测点波长对高双折射光纤环镜轴向应变灵敏度的影响

研究了高双折射光纤环镜监测点波长对轴向应变灵敏度的影响. 经理论推导得出高双折射光纤环镜轴向应变灵敏度公式. 结果表明: 当高双折射光纤材料选定后, 灵敏度随着监测点波长的增大而增大; 当监测点选定后, 监测点的灵敏度为常数, 波长变化与应变成线性关系. 实验选取不同波长的波峰进行应变灵敏度监测, 对各监测点进行数据拟合, 实验结果与理论分析一致. 研究结果对提高高双折射光纤环镜应变、温度等灵敏度具有指导意义. 关键词： 波长 灵敏度 监测点 高双折射光纤环镜