非各态历经噪声的产生及其应用

用n阶时间导数噪声作为内部热噪声驱动自由粒子运动时,若该噪声所对应的非各态历经强度b?=0,且系统初始处于热平衡,则此时系统的长时稳态速度可以作为非各态历经噪声使用.非各态历经噪声具有谱密度在零频处发散的特点,一维半无界耦合简谐振子链对与之相连的气体分子的作用具有非各态历经噪声的特点,是非各态历经噪声的实例.最后将非各态历经噪声作为外噪声驱动倾斜周期势中的粒子运动,系统出现扩散指数α2的超弹道扩散现象.同时发现系统的速度分布将呈现出迁移态和锁定态两种不同状态,并且处于迁移态的粒子的速度分布为双峰.迁移态中双峰的出现是一种比较新奇的现象.     

X-pinch负载分流关系研究

研究了X-pinch和回流柱之间的分流关系,以及两个X-pinch之间的分流关系。在X-pinch和回流柱的分流实验中,X-pinch上的电流与回流柱上的电流大体相等,这表明电流分布不只与X-pinch或回流柱的特性有关,而且也与它们所在回路的其他部分有关。在两个X-pinch之间的分流实验中,X-pinch上的电流与X-pinch本身的材料和直径几乎无关,这确认了电流分布与回路中X-pinch之外的部分有关。离绝缘柱远的X-pinch上的电流总是比离绝缘柱近的X-pinch上的电流略大一些,这是并联回路之间的互感造成的。     

成像型速度干涉仪散斑成因的研究

在冲击波过程中,利用成像型速度干涉仪探测样品自由面的速度时,散斑的叠加使得干涉曲线被严重干扰,影响了速度信息的精密提取。在理论上从光路的角度分析了系统中可能造成散斑的两种因素:靶面粗糙度和多模光纤。在实验上设计了三种照明方式分别对这两种因素进行验证。离线实验的结果表明,多模光纤的引入对散斑的产生起了主要的作用,这对抑制乃至遏制散斑的产生具有很好的指导性意义。     

Asymmetric shock heating and the terrestrial magma ocean origin of the Moon

One of the difficulties of the current giant impact model for the origin of the Moon is to explain the marked similarity in the isotopic compositions and the substantial differences in the major element chemistry. Physics of shock heating is analyzed to show that the degree of heating is asymmetric between the impactor and the target, if the target (the proto-Earth) had a magma-ocean but the impactor did not. The magma ocean is heated much more than the solid impactor and the vapor-rich jets come mainly from the magma-ocean from which the Moon might have been formed. In this scenario, the similarity and differences in the composition between the Moon and Earth would be explained as a natural consequence of a collision in the later stage of planetary formation. Including the asymmetry in shock heating is the first step toward explaining the chemical composition of the Moon.     

Investigations on the geometrical isomers of astaxanthin: Raman spectroscopy of conjugated polyene chain with electronic and mechanical confinement

Recent research interests in geometrical isomers of astaxanthin (AST) are motivated by their metabolic activities in aquatic animals and human. It has been established that cis‐isomers of AST are selectively absorbed in human plasma during the metabolic process; however, exact absorption mechanism is still unclear. Hence, a detailed investigation of the structural and optical properties of geometrical isomers of AST is required. Among the techniques available for the study of AST and other carotenoids, Raman spectroscopy has been much acclaimed. Raman spectra have been shown to be influenced by the electronic and mechanical confinement effects arising from the conjugated polyene chain of carotenoids. In this work, we present Raman studies of geometrical isomers of AST, along with their optical absorption characteristics. Geometrical isomers of AST were prepared by heating all trans‐AST in solution form, and the isomers were separated using high performance liquid chromatography. Optical absorption spectra of cis‐isomers of AST showed hypsochromic shifts in the main absorption band and formation of new bands at lower wavelengths. A detailed Raman spectral analysis performed on the cis‐isomers of AST showed new modes which have not been observed and accounted for so far. In addition, we demonstrate that the electronic and mechanical confinement effects in the polyene chain of AST play an important role in the Raman spectra of geometrical isomers of AST. It is anticipated that this work will demonstrate that Raman spectroscopy is an important diagnostic tool in distinguishing and identifying the geometrical isomers of AST. Copyright © 2014 John Wiley & Sons, Ltd.     

平面简谐纵波动能和势能的有关讨论

以在弹性介质中传播的平面简谐纵波为研究对象,从数学表达、图像、力学原理等方面对平面简谐纵波动能和势能进行探讨,通过分析介质中质元受力、形变情况和运动过程,揭示了平面简谐纵波在弹性介质中传播能量的本质和规律。     

Mn与非金属元素N，C，S共掺锐钛矿型TiO2电子性质和光学性质研究

金属与非金属共掺TiO2半导体以提高对可见光的利用率是近期研究的一个热点。本文通过基于密度泛函理论的平面波超软赝势方法,计算了Mn-N共掺杂、Mn-C共掺杂、Mn-S共掺杂TiO2晶体的能带、态密度、分态密度和光学性质。通过对比Mn-N共掺杂、Mn-C共掺杂、Mn-S共掺杂,这三种掺杂都在一定程度上改善了锐钛矿型二氧化钛对可见光的利用率,但Mn-C共掺杂相比于另外两种掺杂来说,对可见光的响应效果更好,电子从杂质能级跳跃到导带需要1.94eV能量,该能量恰好对应可见光吸收光谱中的吸收峰。并且Mn-C共掺杂对可见光的的吸收率,反射率都远高于其它两种掺杂体系。     

8-氧-2''-去氧鸟嘌呤核苷水解机理的理论研究

本文用计算化学的方法研究了有单个水分子参与的8-氧-2'-去氧鸟嘌呤核苷(8-oxodG)的N-糖苷键水解反应机理。研究结果表明,水分子有两个进攻方向,即水分子可以从去氧核糖糖环的上方和下方进攻C1'并且8-氧鸟嘌呤碱基的O8原子和N9原子都可以摘取去氧糖环的Ha-2'。因此,8-oxodG与单个水分子作用的水解反应有四条不同的反应通道,且每条反应通道都包括两步,都形成类双氢呋喃中间体。O8原子摘取去氧糖糖环Ha-2'的反应的两条反应途径的第一步的活化能相近,约为41.98 kcal/mol;而N9原子摘取去氧糖糖环Ha-2'的反应的两条反应途径的第一步的活化能也相近,约为47.31 kcal/mol。碱基上O8原子摘取去氧核糖糖环Ha-2'的反应的两条反应途径更具有优势。     

含苯乙烯桥侧链三枝分子的二阶非线性光学性质

采用密度泛函理论B3LYP/6-311+g(d,p)方法对含苯乙烯桥侧链均三嗪类衍生物的8个分子(Y1-Y8)进行几何构型优化,对其最优构型采用TD-DFT(TDB3LYP/6-311+g(d,p)),计算电子吸收光谱,用有限场FF方法及自编程序计算二阶非线性光学（NLO）性质。结果表明,8个分子的μ（或0）值为104数量级个原子单位(10-29 esu),显示出良好的二阶非线性光学性能。在其三支链的末端引入强供电子基团（如-N(CH3)2或-N(CH2CH3)2）比引入弱供电子基团及吸电子基团,更有利于改善体系的二阶非线性光学性质,从而可获得良好的非线性光学材料。     

导弹逼近告警器及无源干扰设备测试软件设计

为解决导弹逼近告警器及无源干扰设备测试成本高、维护保障难的问题,研制了一套导弹逼近告警器及无源干扰设备自动检测系统;设计了系统测试软件,按照模块化设计方式,针对设备检测需求,开发不同的软件测试模块并集成;该系统集成度高,配置灵活,操作智能化,功能完整,测试项目全,测试和排故障效率高;经试用表明,该检测系统具有良好的操作性和维护性,可以为导弹逼近告警器及无源干扰设备检测维修提供技术支持,有效节省测试成本和维护保障费用。