M2B7-(M=Mg,Zn)团簇的双重芳香性促进Mg-Mg和Zn-Zn单键的形成

本文使用密度泛函理论设计了两个无需配体的具有Mg-Mg和Zn-Zn单键的团簇Mg₂B₇^-和Zn₂B₇^-. 这两种团簇的全局能量最低构型均以M₂²⁺(B₇^3-)的形式存在,其中M-M单键处于准平面六边形形状的B₇部分的上方. 化学键分析证实了这些团簇中Mg-Mg和Zn-Zn单键的存在,这些单键是在异常稳定的B₇^3-的驱动下生成的. 该B₇^3-部分同时具有σ和π双重芳香性. 计算得到Mg₂B₇^-和Zn₂B₇^-的垂直跃迁能分别为2.79 eV和2.94 eV.     

Manganese precipitation in NaCl induced by room temperature X-irradiation

In the present paper, Electron Paramagnetic Resonance, Ionic Thermocurrents and photoluminescence (emission and excitation) measurements have been performed in crystals of manganese- doped NaCl which were exposured to room temperature X-irradiation. The results obtained indicate that the diffusion of the Mn²⁺ - cation vacancy dipoles, originally present in the quenched samples, is considerably enhanced by ionizing radiation leading to the formation of a second phase precipitate which appears to be related with the Suzuki phase of the manganese ions in the host NaCl, as revealed from the EPR and optical data.     

平行排列液晶器件的波前调制特性

设计了一种新型的平行排列液晶相位调制器(LC PM),可在纯相位的模式下进行相位调制,研究了液晶相位调制器的光学特性,理论上给予了分析．对畸变波前进行了调制,在1 cm2的校正面积上,调制后的准确度PV(peak to valley)值接近λ／15(λ=0.6328 μm),RMS(Root Means Square)可达到λ／100,斯特列尔比SR (Strehl Ratio)达到0.989．改变了传统的扭曲向列液晶器件难于进行纯相位调制和得到高准确度调制的缺点,达到了理想的效果.     

共掺杂效应对Y2O3:Eu3+和Gd2O3:Eu3+发光影响的理论研究

通过在Y2O3:Eu3 和Gd2O3:Eu3 发光材料中掺入Li ,Mg2 ,Al3 等离子能有效地提高材料的发光强度,根据分子动力学和密度泛函计算的结果,认为这些离子多倾向于形成C2格位附近的间隙缺陷对,导致部分Y(Gd)-O的键长增加,提高了材料的量子效率的同时使得激发峰位出现红移,是引起材料发光增强的一个原因.     

偏心和倾斜光学系统的像差特性

运用一种新的分析偏心和倾斜光学系统初级像差特性的方法—矢量像差理论,分析了具有较大交叉倾斜角的平行平板光学系统和具有较大倾斜角的光楔光学系统的像差特性.通过ZEMAX光学设计软件像差分析功能中的垂轴像差曲线、场曲曲线和点列图加以比较,两者非常吻合,证明该理论可以对具有较大倾斜元件的非共轴光学系统设计起指导作用.     

Route to broadband optical chaos generation and synchronization using dual-path optically injected semiconductor lasers

The generation and synchronization of broadband optical chaos in dual-path optically injected (DPOI) semiconductor lasers (SLs) are numerically demonstrated. The effective bandwidth enhancement is achieved up to about 35.84 GHz, under appropriate injection strength and frequency detuning. We systematically study and compare the bandwidth enhancement in single-path optically injected SLs (SPOI-SLs) and DPOI-SLs, and find that better performance can be obtained for the latter over a larger parameter span. Furthermore, two schemes for synchronization of bandwidth-enhanced chaos generated in two similar or identical (twin) DPOI-SLs are proposed, where the twins are driven by a common DPOI signal injected from another chaotic SL. High-quality chaos synchronization, an isochronous type, is observed between the twin DPOI-SLs. Also, the effect of parameter mismatch and frequency detuning is numerically examined. The simple technique of bandwidth enhancement using dual-path injection may pave way for various applications such as high-speed random number generators (RNGs) and chaos-based communications.     

顺式羰基铑碘络合物催化甲醇制乙酸反应的动力学研究

本文运用密度泛函理论DFT-B3LYP方法,对铑、碘元素采用相对论校正赝势基组SDD,对C、O、H采用6-311+G(2d,p)基组,计算研究了顺式羰基铑碘络合物催化甲醇羰基化制乙酸反应的微观机理,优化了各反应物、中间体和过渡态的构型特征,用频率分析方法和内禀反应坐标方法对过渡态进行了验证,运用Kozuch撰写的能量跨度模型获得循环反应的动力学信息,确定了决定循环反应速率的决速过渡态和决速中间体,并利用转化频率评估了催化性能与温度的变化关系.     

Microwave absorption properties of composite powders with low density

The composites of barium ferrite coated on hollow ceramic microspheres were prepared using sol-gel technique. The crystal structure, morphology and microwave absorption properties of composite powders with different weight ratio of microspheres were studied with XRD, EDS, FESEM and vector network analyzer. The results show that the microwave absorption properties of composite powders are greatly improved. The maximum microwave loss of composite powders reaches 31 dB with an amount of 50 wt.% microspheres, and its density is only about 1.80 g/cm³. The effect of hollow ceramic microspheres on the microwave absorption property is also discussed.     

高阶效应对超短艾里-高斯脉冲相互作用的影响

本文运用分步傅里叶变换,对满足高阶耦合非线性薛定谔方程的超短艾里脉冲与超短高斯脉冲,利用MATLAB数值模拟了在高阶效应下两脉冲相互作用后的演化过程以及时域上的强度变化.获得了负三阶色散效应使超短脉冲相互作用能传输更远距离;正三阶色散效应会减慢超短脉冲相互作用的传输.自陡峭效应通过孤子分裂现象的形式使超短脉冲相互作用产生时域位移.内拉曼效应可以将超短脉冲相互作用的能量由前沿处转移到后沿处.     

脂松香、石炭酸松香树脂和马林酸松香树脂的红外光谱剖析及鉴别

本文对脂松香、石炭酸松香树脂和马林酸松香树脂的红外光谱剖析及鉴别，方法快速，简便，准确。