基于不确定控制理论的最优策略研究

本文在不确定理论的框架下,研究一类带背景状态变量的最优控制模型.在乐观值准则下,利用不确定动态规划的方法,证明了不确定最优性原则,得到最优性方程.作为应用,求解一个固定缴费(DC)型养老金的最优投资策略问题,在乐观值准则下,以工资变量为背景状态变量,建立养老金模型.通过求解不确定最优性方程得到最优投资策略和最优支付率.     

Two cubane-like [M4O4] {M = nickel(II), cobalt(II)} complexes: syntheses,crystal structures and magnetic properties

Transition Metal Chemistry - Two cubane-like complexes, namely [Ni4L4(HOEt)4] (1), [Co4L4(HOEt)4] (2) (H2L?=?(E)-2-((3-hydroxypropylimino)methyl)-6-methoxyphenol), were prepared under...     

DFT mechanistic study of the H2‐assisted chain transfer copolymerization of propylene and p‐methylstyrene catalyzed by zirconocene complex

DFT computations have been performed to investigate the mechanism of H₂‐assisted chain transfer strategy to functionalize polypropylene via Zr‐catalyzed copolymerization of propylene and p‐methylstyrene (pMS). The study unveils the following: (i) propylene prefers 1,2‐insertion over 2,1‐insertion both kinetically and thermodynamically, explaining the observed 1,2‐insertion regioselectivity for propylene insertion. (ii) The 2,1‐inserion of pMS is kinetically less favorable but thermodynamically more favorable than 1,2‐insertion. The observation of 2,1‐insertion pMS at the end of polymer chain is due to thermodynamic control and that the barrier difference between the two insertion modes become smaller as the chain length becomes longer. (iii) The pMS insertion results in much higher barriers for subsequent either propylene or pMS insertion, which causes deactivation of the catalytic system. (iv) Small H₂ can react with the deactivated [Zr]?pMS?PP_n facilely, which displace functionalized pMS?PP_n chain and regenerate [Zr]? H active catalyst to continue copolymerization. The effects of counterions are also discussed. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 576–585     

Rational Molecular Design towards Vis/NIR Absorption and Fluorescence by using Pyrrolopyrrole aza‐BODIPY and its Highly Conjugated Structures for Organic Photovoltaics

Pyrrolopyrrole aza‐BODIPY (PPAB) developed in our recent study from diketopyrrolopyrrole by titanium tetrachloride‐mediated Schiff‐base formation reaction with heteroaromatic amines is a highly potential chromophore due to its intense absorption and fluorescence in the visible region and high fluorescence quantum yield, which is greater than 0.8. To control the absorption and fluorescence of PPAB, particularly in the near‐infrared (NIR) region, further molecular design was performed using DFT calculations. This results in the postulation that the HOMO–LUMO gap of PPAB is perturbed by the heteroaromatic moieties and the aryl‐substituents. Based on this molecular design, a series of new PPAB molecules was synthesized, in which the largest redshifts of the absorption and fluorescence maxima up to 803 and 850 nm, respectively, were achieved for a PPAB consisting of benzothiazole rings and terthienyl substituents. In contrast to the sharp absorption of PPAB, a PPAB dimer, which was prepared by a cross‐coupling reaction of PPAB monomers, exhibited panchromatic absorption across the UV/Vis/NIR regions. With this series of PPAB chromophores in hand, a potential application of PPAB as an optoelectronic material was investigated. After identifying a suitable PPAB molecule for application in organic photovoltaic cells based on evaluation using time‐resolved microwave conductivity measurements, a maximized power conversion efficiency of 1.27 % was achieved.     

Gravitational wave imprint of new symmetry breaking

It is believed that there are more fundamental gauge symmetries beyond those described by the Standard Model of particle physics. The scales of these new gauge symmetries are usually too high to be reachable by particle colliders. Considering that the phase transition (PT) relating to the spontaneous breaking of new gauge symmetries to the electroweak symmetry might be strongly first order, we propose considering the stochastic gravitational waves (GW) arising from this phase transition as an indirect way of detecting these new fundamental gauge symmetries. As an illustration, we explore the possibility of detecting the stochastic GW generated from the PT of \begin{document}$ {\bf{B}}-{\bf{L}}$\end{document} in the space-based interferometer detectors. Our study demonstrates that the GW energy spectrum is reachable by the LISA, Tianqin, Taiji, BBO, and DECIGO experiments only for the case where the spontaneous breaking of \begin{document}$ {\bf{B}}-{\bf{L}}$\end{document} is triggered by at least two electroweak singlet scalars.     

镧系金属一氢化物有效芯势研究

采用Cundari和Stevens等推导的有效芯势对镧系金属一氢化物进行了理论计算，以探讨镧系金属元素与氢的相互作用。结果表明所有镧系金属一氢化物基态时理论上是稳定的，最稳定的是SmH,最不稳定的是DyH;键长计算结果显示，基态时镧系金属一招兵买马花物有独立王国 收缩现象发生；红外振动频率理论计算值与实验结果一致；成键轨道中，金属原子轨道的贡献主要是s轨道和d轨道：从CeH至ErH(GdH)例外）随着外层电子的增加s轨道成分逐渐增大d轨道成分逐渐减小；从TmH和LuH（包括GdH)，成键轨道中金属原子轨道的贡献主要是d轨道，约为90％；约大多数镧系金属一氧化物的成键轨道中金属原子轨道f成分小于1％。     

VIBRATION OF TWISTED AND CURVED CYLINDRICAL PANELS WITH VARIABLE THICKNESS

A numerical procedure, with an exact strain-displacement relationship of twisted and curved cylindrical panels having variable thickness derived by considering the Green strain tensor on general shell theory, is presented using the principle of virtual work and the Rayleigh-Ritz method with algebraic polynomials as in-plane and transverse displacement functions. The accuracy and applicability of the procedure are verified by comparing the present results with previous experimental and theoretical results for several panels. The effects of variation ratio of thickness in chordwise and lengthwise directions, twist, and curvature both in two directions aforementioned on vibrations of cylindrical panels are studied in detail, and typical vibration mode shapes are plotted to demonstrate the effects.     

原子力显微镜在生物物理领域的新应用

介绍了原子力显微镜在生物物理领域的最新应用:蛋白质去折叠、DNA拉伸、生物膜受力,通过分析实验得到的力谱,可以获取关于蛋白质、DNA、生物膜结构信息.原子力显微镜不仅能反映测量体系的力学性质,由于其具有独特的时间、空间分辨及实时成像,因而能提供更多信息.     

新疆玛纳斯湖水蒸发过程研究

本文依据Na^ ,K^ ,Mg^2 //Cl^-,SO4^2--H2O五元水盐体系相图，对新疆玛纳斯盐湖水进行原料分析、理论研究、25℃等温蒸发实验和自然蒸发实验，研究了该湖水蒸发过程中盐类的析出规律及湖水中各组分浓度变化的规律，为进行工艺实验及将来的综合开发利用提供了可靠依据。     

用Java实现网上结构图实验仿真

基于线性系统仿真的连接矩阵方法，用Java语言开发面向结构图的实验仿真程序，以Applet小应用程序的形式插入网页中运行，实现了信号与系统网上实验教学中的结构图实验仿真。经试用，程序在浏览器中运行正常，可以完成一般线性系统仿真，与以MATLAB，LABView等程序开发的实验仿真程序相比，该程序运行环境简单，几乎所有常用的Web浏览器都支持Java运行，不需另行安装相应组件。对于线性系统结构图，实现了所见即所得的图形化编程环境，具有较好的人机交互性。