带新NCP函数的Lagrangian乘子方法

在经营管理、工程设计、科学研究、军事指挥等方面普遍存在着最优化问题,而实际问题中出现的绝大多数问题都被归纳为非线性规划问题之中。作为带等式、不等式约束的复杂事例,最优化问题的求解向来较为繁琐、困难。适当条件下,非线性互补函数(NCP)可以与约束优化问题相结合,其中NCP函数的无约束极小解对应原约束问题的解及其乘子。本文提出了一类新的NCP函数用于解决等式和不等式约束非线性规划问题,结合新的NCP函数构造了增广Lagrangian函数。在适当假设条件下,证明了增广Lagrangian函数与原问题的解之间的一一对应关系。同时构造了相应算法,并证明了该算法的收敛性和有效性。     

一锅法合成Ce_xZr_(1-x)O_2固溶体催化剂用于热化学循环分解CO_2制CO

采用一锅蒸发诱导自组装法(EISA)制备了一系列不同铈锆物质的量比的铈锆固溶体催化剂,用TGA研究了其热化学循环分解CO_2制CO的催化性能,并采用XRD、Raman光谱、H2-TPR、XPS、SEM和N_2吸附-脱附等手段对催化剂的物相结构、还原性能和表面化学性质进行了表征分析,用热重分析(TGA)研究了铈锆固溶体对热化学循环分解CO_2制CO的催化性能。结果表明,随着Ce/Zr物质的量比增加,铈锆固溶体催化剂的CO_2高温分解活性先增大后减小。Ce/Zr物质的量比为1的Ce_(0.5)Zr_(0.5)O_2催化剂由于具有较多的晶格缺陷和氧空穴,氧迁移能力强,催化活性高,而Ce/Zr物质的量比为3的Ce_(0.75)Zr_(0.25)O_2催化剂具有相对稳定的氧空穴数,循环稳定性好。循环反应后,所有的催化剂均出现了一定程度的烧结,且富锆固溶体发生了相分离,这可能会影响催化剂的性能。     

低相对分子质量有机酸对α-FeO(OH)吸附As(Ⅲ)的影响

制备并表征了α-FeO(OH),探究了4种低相对分子质量有机酸(LMW)对α-FeO(OH)吸附As(Ⅲ)的影响,并阐明了机理。 单一和混合LMW对α-FeO(OH)吸附As(Ⅲ)均有抑制作用,4种LMW的影响大小顺序为:草酸(OA)>柠檬酸(CA)>乳酸(LA)、水杨酸(SA)。 混合LMW的影响为:OA会加剧CA对α-FeO(OH)吸附As(Ⅲ)的影响,而SA几乎不起作用。 当ρ(As(Ⅲ))较低,LMW通过与α-FeO(OH)的静电引力、与α-FeO(OH)表面的铁离子形成配合物、生成沉淀从而影响α-FeO(OH)对As(Ⅲ)的吸附;当ρ(As(Ⅲ))较高,LMW还通过阻碍As(Ⅲ)在α-FeO(OH)上的扩散和沉淀作用产生影响。 实验结果为土壤中As(Ⅲ)的迁移转化、污染治理提供技术支撑。     

Blow-up and Global Smooth Solutions for Incompressible Three-Dimensional Navier--Stokes Equations

We present some explicit self-similar blow-up solutions and some other solutions of the incompressible threedimensional Navier Stokes equations. These solutions indicate that in C^∞ the solution of Navier-Stokes equations does not always tend to a solution of Euler equations.     

染料敏化太阳能电池光敏剂卟啉儿茶酚的密度泛函和含时密度泛函研究

用密度泛函理论的杂化密度泛函B3LYP方法研究了太阳能电池光敏荆5,10,15.三苯基-20-(3,4-二羟基苯)卟啉(卟啉儿荼酚,TPP-cat)的几何结构、电子结构、IR和Raman特性.用自然键轨道方法分析了电荷布居和成键性质.计算结果表明,最强的IR吸收峰位于1175.81 cm-1处,最强的Raman活性位于1587.18 cm-1处.采用含时密度泛函计算了TPP-cat在水溶液中的电子吸收谱,其Soret带和Q带均指认为π→π*跃迁,在大约354 cm-1处的跃迁与一个光诱导分子内电荷转移过程有关.     

Improving the fluorometric determination of the cancer biomarker 8-hydroxy-2′-deoxyguanosine by using a 3D DNA nanomachine

The authors describe a fluorometric method for improving the determination of the cancer biomarker 8-hydroxy-2′-deoxyguanosine (8-OHdG). A nicking endonuclease (NEase)-powered 3-D DNA nanomachine was constructed by assembling hundreds of carboxyfluorescein-labeled single strand oligonucleotides (acting as signal reporter) and tens of swing arms (acting as single-foot DNA walkers) on a gold nanoparticle (AuNP). The activity of this DNA nanomachine was controlled by introducing the protecting oligonucleotides. In the presence of aptamer against 8-OHdG, the protecting oligonucleotides are removed from the swing arms by toehold-mediated strand displacement reaction. In the next step, detached DNA walker hybridizes to the labelled DNA so that the DNA nanomachine becomes activated. Special sequences of signal reporter in the formed duplex can be recognized and cleaved by NEase. As a result, the DNA walker autonomously and progressively moves along the surface of the AuNP, thereby releasing hundreds of signal reporters and causing a rapid increase in green fluorescence. This 3-D nanomachine is highly efficient because one aptamer can release hundreds of signal reporters. These unique properties allowed for the construction of a DNA nanomachine-based method for sensitively detecting 8-OHdG in concentrations as low as 4 pM. This is three orders of magnitude lower compared to previously reported methods.

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Graphical abstract Schematic of a fluorometric method for determination of the cancer biomarker 8-hydroxy-2′-deoxyguanosine. A nicking endonuclease powered 3D-DNA nanomachine was used to improve the sensitivity. Limit of detection is three orders of magnitude lower than reported methods.

     

MOCVD方法在Ti/Si(111)模板上生长ZnO薄膜的研究

本文采用常压MOCVD方法在Ti/Si（111）模板上生长了氧化锌（ZnO）薄膜，使用二乙基锌为Zn源，去离子水为O源。Si衬底上的Ti薄层采用电子束蒸发台蒸发，然后低温生长缓冲层并在高温下进行重结晶，接着在680％进行ZnO薄膜的生长。采用粉末衍射法、双晶X射线衍射及光致发光技术研究了材料的取向、结晶性能及发光性能。结果表明，本文制备了高度择优取向和良好发光性能的ZnO薄膜。     

CFETR ˮ���մɰ���ʱ����ز�����Գ�������

水冷陶瓷包层是中国聚变工程实验堆(CFETR)的三种候选包层概念之一。基于CFETR水冷陶瓷包层的一维中子学模型,通过蒙特卡罗输运模拟程序MCNP和活化计算程序FISPACT的耦合计算,经三维转换系数修正,分析了CFETR水冷陶瓷包层时间相关产氚特性。结果表明,当CFETR运行因子为0.5,聚变功率为200MW时,水冷陶瓷包层在运行5年、10年、20年后,氚增殖率(TBR)的降低都不显著,但是年产氚剩余量的降低很明显。此外,产氚包层内初始时刻TBR对产氚特性的影响也很大。     

外磁场中单畴反铁磁颗粒的宏观量子效应

用瞬子方法研究了外加磁场对单畴双轴反铁磁颗粒宏观量子效应的影响. 当外磁场沿易磁化方向时,简并基态中的一个能量抬高,变为亚稳态,其隧穿衰变率随外磁场增大;当外磁场沿中间磁化方向时,能级的隧穿劈裂随外磁场的变化而振荡.从而提出一种观察单畴反铁磁颗粒中宏观量子相干和隧穿现象的实验方法.     

The Effect of the Electron-Phonon Interaction on Giant Magnetoresistance in Magnetic Multilayers

We built electron and phonon free energies and attempted to investigate the effect of the electron-phonon interaction on giant magnetoresistance in magnetic multilayers. Starting from a jellium-like model, we found that the electron-phonon interaction can have an important effect on the spin splitting of electronic energy band. The expression of giant magnetoresistance has been obtained by considering the spin splitting of electronic energy band,indicating that the effect of phonon could not be neglected. Numerical calculations using our approach demonstrate the agreement between experimental and theoretical values.