四角晶相HfO2(001)表面原子和电子结构研究

采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO₂)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明，t-HfO₂(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO₂(001)表面态密度明显高于体相态 密度.其次，表面原子的态密度更靠近费米能级(E_F)，价带往低能量处移动，并 有表面态产生.计算结果表明了t-HfO₂表面禁带宽度明显低于体相的禁带宽度. t-HfO₂(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少，表面原子周围的环境发生变化而引起的. 关键词： 密度泛函理论 2(001)')" href="#">t-HfO₂(001) 表面电子结构     

(Anti-)de Sitter Black Hole Entropy and Generalized Uncertainty Principle

We generalize the method that is used to study corrections to Cardy-Verlinde formula due to generalized uncertainty principle and discuss corrections to Cardy-Verlinde formula due to generalized uncertainty principle in (anti)-de Sitter space. Because in de Sitter black hole spacetime the radiation temperature of the black hole horizon is different from the one of the cosmological horizon, this spacetime is a thermodynamical non-equilibrium spacetime.     

轴流风扇叶片端导叶作用的研究

本文采用数值方法研究了叶片端导叶对轴流风扇性能的影响。通过与普通开式轴流风扇比较,分析了叶片端导叶对内部流动作用的机理.数值计算结果表明:叶片端导叶的安装位置将影响轴流风扇气动效率,安装叶片端导叶不能提高风扇静压升,但是在压力面安装时能有效地减小风扇叶顶泄漏流与主流的掺混损失;在设计流量下,压力面安装叶片端导叶使泄漏涡的作用范围较小,涡核更靠近吸力面;吸力面安装叶片端导叶弱化了泄漏涡的强度但没有减小泄漏涡的作用范围。     

离子交换富集-导数火焰原子吸收法测定自来水中Cu,Fe和Zn

本文研究了用 2 0 1× 7阳离子交换树脂对自来水中的微量元素进行交换富集 ,采用微量脉冲进样 导数火焰原子吸收法测定富集后溶液中的Cu ,Fe和Zn ,该方法灵敏度分别为 0 2 9,0 5 9和 0 0 6 μg·L- 1 ,精密度分别为 4 2 8% ,1 95 %和 2 2 8% ,检测限分别为 1 2 8,5 85和 0 6 8μg·L- 1 ,回收率分别为 91 13% ,10 1 34%和99 84 % ,本方法大大减少了需样量 ,简便快速 ,灵敏度高。     

一种不等带宽光学梳状滤波器

提出了一种新型—Michelson—三面镜FabryPerot型50GHz不等带宽光学梳状滤波器设计方案,分析和模拟表明:该器件将一路信道间隔为50GHz的输入信号分离成信道间隔为100GHz的奇偶两路输出信号,其中在3dB处,奇数信道带宽大于30GHz用于10Gb/s传输,偶数信道带宽大于60GHz用于40Gb/s传输对于将来的40Gb/s系统,该器件具有优势.     

THE AUTOMORPHISMS OF TWO-DIMENSIONAL LINEAR GROUPS OVER COMMUTATIVE RINGS

The present paper determines the form of automorphisms of $\[{E_2}(R)\]$ and $\[G{E_2}(R)\]$ over commutative rings provided 2, 3 and 5 are units.     

On the stability of Riemannian manifold with parallel spinors

Inspired by the recent work [HHM03], we prove two stability results for compact Riemannian manifolds with nonzero parallel spinors. Our first result says that Ricci flat metrics which also admit nonzero parallel spinors are stable (in the direction of changes in conformal structures) as the critical points of the total scalar curvature functional. Our second result, which is a local version of the first one, shows that any metric of positive scalar curvature cannot lie too close to a metric with nonzero parallel spinor. We also prove a rigidity result for special holonomy metrics. In the case of SU(m) holonomy, the rigidity result implies that scalar flat deformations of Calabi-Yau metric must be Calabi-Yau. Finally we explore the connection with a positive mass theorem of [D03], which presents another approach to proving these stability and rigidity results. Dedicated to Jeff Cheeger for his sixtieth birthday     

Approaches to improving critical current density of YBCO superconducting thick films deposited by electrophoresis

The irreversibility field (Hirr) of Y-based superconductor is much higher than that of Bi-based superconductor. Y-based superconductor is capable of maintaining stable electrical currents in high magnetic field and electric field, so it is a better suited mate-rial for electric-current applications. Commonly, the Y-based tapes comprise a YBCO thick film deposited on a flexible substrate, typically with an intermediate buffer layer, and an overcoat of noble metal. In this process, the interm…     

A theoretical study of the ion pair SN2 reaction between lithium isocyanates with methyl fluoride with inversion and retention mechanism

This paper is devoted to a detailed theoretical study of an ion pair S_N2 reaction LiNCO+CH₃F in the gas phase and in solution at the level of MP2(full)/6-31+G**//HF/6-31+G**. Two possible reaction mechanisms, inversion and retention, are discussed. There are eight possible reaction pathways. The inversion mechanism is more favorable no matter in the gas phase or in solution based on analyses of the transition structures. Methyl isocyanate should form preferentially in the gas phase and more stable methyl cyanate is the main product in solution. The retardation of the reaction in solvents was attributed to the difference in solvation in the separated reactants and in the transition state.     

On Super Hamiltonian Semigroups

The concept of super hamiltonian semigroup is introduced. As a result, the structure theorems obtained by A. Cherubini and A. Varisco on quasi commutative semi-groups and quasi hamiltonian semigroups respectively are extended to super hamiltonian semigroups.