First-principles study on the geometric and electronic structures and phase transition of PbZr1-xTixO3 solid solutions

With first-principles virtual-crystal approximation calculations, we systematically investigate the geometric and elec- tronic structures as well as the phase transition of lead zirconate titanate (PbZr1-xTixO3 or PZT) as a function of Ti content for the whole range of 0 ≤ x Ti ≤ 1. It can be found that, with the increase of the Ti content, the PbZr1-xTixO3 solid solu- tions undergo a rhombohedral-to-tetragonal phase transition, which is consistent with the experimental results. In addition, we also show the evolution in geometric and electronic structures of rhombohedral and tetragonal PbZr1-x TixO3 with the increasing content of Ti.     

The giant enhancement of Fano-type resonance in a gain-assisted silicon slab array

Giant resonance enhancement is demonstrated to be due to the Fano interference in a grating waveguide composed of gain-assisted silicon slabs. The Fano mode is characterized by its ultra-narrow asymmetric spectrum, different from that of a pure electric or magnetic dipole. The simulation indicates that a sharp Fano-interfered lineshape is responsible for the giant resonance enhancement featuring the small-gain requirements.     

利用分形法表征光学元件中高频相位畸变

针对神光Ⅲ主机装置使用的光学元件,基于分形理论,分析中高频相位畸变的统计分布特征,指出其满足分数布朗随机场,并利用结构函数法对分形维数进行计算,统计结果显示,大口径钕玻璃片的分形维数在2.34~2.43之间。利用局部稳态的随机中点位移法,提出一种新的表征光学元件相位的方法,将分形维数作为参数,可衡量中高频相位畸变,对高功率激光光学元件的评价有参考意义。     

基于Lorenz映射的混沌系统分支变换预报规律研究

尽管Lorenz系统具有混沌和非周期性质, 但其分支变换是可预报的.本文以强迫Lorenz系统为数学模型, 基于Lorenz映射, 研究了混沌系统分支变换的预报规律, 将原有关于分支开始变换条件和新分支持续时间的两条一般规律扩展到了3条, 并首次分析了系统当前状态达到变换条件所需时间的预报规律, 从而为预报混沌系统非周期演变提供了另一途径.结果表明: 映射尖点位置为分支变换的临界值, 当变量z超过相应临界值时, 系统在当前分支的运动即将结束, 下一循环将跳跃到另一分支运动; 系统在同一分支循环的次数随极值z_max单调减小, z_max 越小, 达到变换条件需循环的次数越多; 系统在新分支持续的时间是先前分支最大极值z_M 的单调增加函数, z_M越大, 持续时间增加的幅度也越大.此外, 外强迫影响着混沌系统分支变换的预报规律, 其不但使正负分支的变换条件出现差异, 且与新分支持续时间的增加速率和达到变换条件所需时间的递减速率密切相关. 关键词： Lorenz映射 分支变换 外强迫 预报规律     

182Os 核yrast带相继SU(3)–U(5)–SU(3)结构相变势能曲面的一种可能理解

基于联合实施微观相互作用玻色子模型的最大F旋方案 (sdIBM-F_max)与γ射线能量-自旋曲线 (γ-ray energy over spin curves, E-GOS)方案, 成功描述了¹⁸²Os核yrast带相继的SU(3)–U(5)–SU(3)结构相变, 由于缺少直观解释而显得抽象. 本文借助微观sdIBM-F_max的微观参数与Bohr哈密顿量的势能曲面方程之间存在的泛函关系, 几何地给出了对这种相继相变途径的另外一种可能理解; 并阐述了在完全变形核的高角动量态中, 由于量子效应在高激发态与低激发态之间生成高简并的临界区, 提供了γ振动能量会变得低于转动能量的一个可能途径, 从而实现了SU(3)–U(5)的相变. 关键词： yrast带结构演化 势能曲面 相变临界区 182Os核')" href="#">¹⁸²Os核     

变工况下旋转机械故障跟踪的相空间曲变方法

为实现在工况变化条件下对旋转机械的故障预测, 提出使用相空间曲变和平滑正交分解理论在变工况条件下跟踪旋转机械的故障演化过程. 首先在对目标系统的观测时间序列相空间重构的基础上, 通过量化相空间曲变构建信号损伤演化的跟踪函数, 为弥补累积模型误差和相空间点局部分布概率差异造成的误差, 将时间序列和相空间进行分割, 并以此构建跟踪矩阵; 再利用平滑正交分解方法将跟踪矩阵中分别由实际损伤劣化和工况变化造成的演化趋势进行分离, 根据平滑正交特征值提取出其中能够反映实际故障演化趋势的平滑正交分量; 最后以变转速情况下轴承外环故障退化的仿真信号为例验证算法的有效性. 计算结果表明: 本文提出的算法能够对旋转机械故障的演化趋势实现有效跟踪, 基本排除转速波动造成的工况变化影响. 关键词： 相空间曲变 平滑正交分解 变工况 故障跟踪     

弹光调制光电转换放大电路设计

弹光调制干涉具调制的干涉光被探测器接收后输出高速变化的微弱电信号,能否将该电信号提取并放大输出对弹光调制-傅里叶变换光谱仪的研制至关重要。通过对调制干涉光进行理论分析,设计一种具有高信噪比和较高带宽的光电转换放大电路,主要由电源电路、光电转换电路、放大电路、理论通频带为100 kHz~3.5 MHz的带通滤波电路组成。实验结果表明:设计的电路能够将探测器输出的最大频率为1.6 MHz的信号放大至670 mV左右,实现了将探测器输出的微弱速变电信号从背景噪声中有效提取与放大,为后续傅里叶变换提供可靠数据。     

直接相位调制产生周期性线性啁啾脉冲特性研究

提出一种利用周期性抛物线调制信号对光脉冲进行相位调制以获得周期性线性啁啾脉冲的方法, 并对其进行了数值模拟与实验研究. 数值模拟结果表明: 增益饱和效应、群速度色散以及同步误差对啁啾脉冲的时间-光谱特性影响较大; 自相位调制对啁啾脉冲的影响较小. 实验获得了0.52 nm带宽的周期性线性啁啾脉冲, 与模拟结果符合较好. 实验结果同时表明装置中存在较大的偏振模色散, 导致幅频效应较大, 后续的研究中需加入对此的考虑. 模拟及实验研究表明: 直接相位调制是一种新型的可方便地获得周期性线性啁啾脉冲的方法, 其在光谱色散平滑中具有潜在应用. 关键词： 直接相位调制 周期性线性啁啾脉冲 幅频效应     

Direct observation of surface‐enhanced Raman scattering in ZnO nanocrystals

We have been able to observe the surface‐enhanced Raman scattering (SERS) from 4‐mercaptopyridine (4‐Mpy) molecules adsorbed on ZnO nanocrystals, which display 10³ enhancement factors (EFs). An excitation wavelength‐dependent behavior is clearly observed. Another molecule BVPP is also observed to have surface‐enhanced Raman signals. The chemical enhancement is most likely responsible for the observed enhancement, since plasmon resonances are ruled out. The research is important not only for a better understanding of the SERS mechanism, but also for extension of the application of Raman spectroscopy to a variety of adsorption problems on a semiconductor surface. Copyright © 2009 John Wiley & Sons, Ltd.     

Pigment identification and decoration analysis of a 5th century Chinese lacquer painting screen: a micro‐Raman and FTIR study

To investigate the pigments and decoration applied to a wood‐based lacquer painting screen from the tomb of Si‐ma Jin‐long, Shanxi Province, central China, made by Chinese craftsmen in the 5th century, a combination of micro‐Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), wavelength dispersive X‐ray fluorescence (WDXRF), and microscopic examination was used. The obtained results are as follows: (1) the black, yellow, and red colors are identified as carbon black, orpiment and realgar, and cinnabar, respectively, by using micro‐Raman spectroscopy. The FTIR result shows that the white pigment filled in the leaves is not lead white, as assumed in the literature, but gypsum. Whether lead white was used at other locations remains unanswered and requires more samples for further work; (2) the thickness of each discernable pigment layer, as observed under the microscope, is approximately equal and the differences among them are small, suggesting a superfine painting skill; besides, a noticeable smooth interface between wood and the red grounding substance indicates that a polishing process might have been applied before the painting; (3) the red background was proved to contain cinnabar, but further FTIR analyses found no evidence for the presence of Chinese wood oil; and (4) the most interesting finding, rarely reported before, is that white grains of different sizes are found in both pigment layers and the grounding substance, which are perhaps an intentional addition. Further, in situ XRF and Raman analyses indicate that they are sourced from hydroxyapatite, coming probably from the intentional addition of animal bone ash to the lacquer. But how such a process could be finished and what purpose it served have not yet been answered. Copyright © 2009 John Wiley & Sons, Ltd.