CeO2的电子结构，光学和晶格动力学性质：第一性原理研究

基于考虑了Ce-4f电子间的库仑作用U和交换作用J的LDA+U方案,应用第一性原理计算系统研究了CeO₂的电子结构,光学和晶格动力学性质.电荷密度和电子局域函数的分布特征表明,CeO₂是属于共价键的绝缘体.介电常数、玻恩有效电荷张量和声子色散曲线的计算值和相应的实验结果符合得比较好. 关键词： 电子结构 光学性质 晶格动力学 第一性原理计算     

脉冲激光频域干涉技术在超快动力学物理中的应用

介绍了一种具有fs时间分辨力的超短脉冲激光频域干涉测试技术,详细论述了该技术的工作原理和系统构成,指出传输时间差和相位差是影响频域干涉条纹周期的主要因素。采用脉冲激光频域干涉仪测量了200 nm厚度铝膜在波长800 nm、单脉冲能量0.7 mJ、脉宽35 fs脉冲激光作用下的运动速度剖面。在单次飞秒脉冲激光作用下,铝膜自由面的运动速度峰值可达960 m/s,速度剖面的上升前沿小于5.77 ps,表明脉冲激光频域干涉技术可用于测量材料在超快脉冲激光作用下的冲击动力学参数。     

Three dimensional study of harmonic operation at the Shanghai deep ultraviolet free electron laser

With the right choice of parameters in the free electron laser (FEL) scheme, the undulator can be primarily operated at high order harmonic modes and the harmonic radiation is expected to be significantly enhanced. Recently, the possibility of proof-of-principle harmonic operation experiments on the basis of the Shanghai deep ultraviolet (SDUV) FEL test facility has been studied. In this paper, the principle of harmonic operation, three dimensional numerical approaches, and detailed performances of proposed harmonic operation at SDUV FEL are presented.     

Up-conversion emissions of Er<Superscript>3+</Superscript>-Yb<Superscript>3+</Superscript> codoped Al<Subscript>2</Subscript>O<Subscript>3</Subscript> nanoparticles by the arc discharge synthesis method

The Er³⁺-Yb³⁺ codoped Al₂O₃ nanoparticles with an average particle size of about 50 nm have been synthesized by an arc discharge synthesis method. The green and red up-conversion emissions centered at about 526, 547 and 677 nm, corresponding respectively to the ²H_11/2→⁴I_15/2, ⁴S_3/2→⁴I_15/2 and ⁴F_9/2→⁴I_15/2 transitions of Er³⁺, were detected by a 978-nm semiconductor laser diode excitation. The Annealing has evident effect on the up-conversion emissions of the samples: The red up-conversion emission is noticeable before annealing; however, the green up-conversion emission becomes predominant after annealing. The mixture of (Er,Yb)₃Al₅O₁₂ and α-(Al,Er,Yb)₂O₃ phases is more favorable for green up-conversion emissions due to an enhancement of the ESA (I) of ⁴I_11/2+a photon→⁴F_7/2 and ET (III) of ²F_5/2(Yb³⁺)+⁴I_11/2(Er³⁺)→²F_7/2(Yb³⁺)+⁴F_7/2(Er³⁺) processes. The two-photon absorption up-conversion process is involved in the green and red up-conversion emissions. The results have proved that arc discharge synthesis is a new promising preparation technology for optical materials. Supported by National Natural Science Foundation of China (Grant No. 10804015), the Scientific Research Foundation for Doctor of Liaoning Province (Grant No. 20071095), and the Educational Committee Foundation of Liaoning Province (Grant No. 2008123)     

叶片开缝的离心风机流场研究

本文提出在离心叶轮轮盖与叶片之间开缝,使得叶片压力面侧的高压气体射流到吸力面侧的低速尾迹区,从而直接给叶轮内的低速流体提供能量,减弱了叶轮内由于二次流所导致的射流-尾迹结构,并可用于消除或解决部分负荷时常发生的离心叶轮积灰问题.对某离心风机整机的数值模拟表明,在设计流量和小流量情况下,叶轮开缝后使叶片表面分离区域减小,整个流道速度分布更为均匀,改善了叶轮内部流场的流动状况,提高了离心叶轮性能和整机性能.研究表明,本方法对于提高离心式流体机械性能是有效的.     

正立像显微镜的设计

光学显微镜是一种光学放大仪器,被广泛地用来观测微小物体．但是,目前使用的显微镜成的是倒立的像,从而给使用者带来了很多不必要的麻烦．为了解决这一问题,文中提出了成正立像的显微镜的设计方案,同时计算了这种显微镜的放大率,并且对相关问题进行了讨论．     

Characteristics of a dual‐radio‐frequency cylindrical inductively coupled plasma

The plasma parameters such as electron density, effective electron temperature, plasma potential, and uniformity are investigated in a new dual‐frequency cylindrical inductively coupled plasma (ICP) source operating at two frequencies (2 and 13.56 MHz) and two antennas (a two‐turn high‐frequency antenna and a six‐turn low‐frequency (LF) antenna). It is found that the electron density increases with 2 MHz power, whereas the electron temperature and plasma potential decrease with 2 MHz power at a fixed 13.56 MHz power. Moreover, the plasma uniformity can be improved by adjusting the LF power. These results indicate that a dual‐frequency synergistic discharge in a cylindrical ICP can produce a high‐density, low‐potential, low‐effective‐electron‐temperature, and uniform plasma.     

多端耦合量子点分子桥的量子输运特性研究

利用非平衡格林函数方法,对五个量子点连结而成的有四个终端的耦合量子点分子桥进行了理论研究和数值模拟,得出了入射电子通过耦合量子点分子桥传输到各个终端的电子隧穿概率的规律. 关键词： 耦合量子点分子桥 非平衡格林函数 量子输运     

Meter-long CeO2/YSZ/Y2O3 buffer layers for YBCO coated conductors using DC reactive sputtering

This paper reports CeO₂/YSZ/Y₂O₃ buffer layers deposited on biaxially textured NiW substrates by DC reactive sputtering in a reel-to-reel system. The effect of partial pressure of water vapor (P_H2O) on surface morphology and orientation of the Y₂O₃ films was examined. The obtained CeO₂/YSZ/Y₂O₃ buffer layers exhibit a highly biaxial texture, with in- and out-of-plane FWHM values respectively in the range of 6.0–7.0° and 4.5–5.5°. Crystallographic consistency of CeO₂/YSZ/Y₂O₃ along meter length is excellent. Atomic force microscope observation (AFM) reveals a smooth, continuous and crack-free surface with a Root-mean-square roughness (RMS) lower than 10 nm.     

NH3(H2O)4稳定结构的理论研究

先构建氨水团簇的模型势,并计算得到NH3(H2O)4的模型势异构体,从中选取稳定性较好的异构体作为初始结构,分别利用密度泛函方法和二级微扰理论在6-31G(d)和6-311++G(d,p)基组水平上逐级进行结构优化、频率和单点能计算.发现包括第2和第3稳定结构等12种新异构体;NH3(H2O)4的五边形环状结构的稳定性最好;这种极性混合分子簇的偶极矩大小和包含的氢键数都与结构的稳定性无必然联系.