线性均衡约束最优化的一个广义投影强次可行方向法

本文讨论带线性均衡约束最优化问题,首先利用摄动技术和一个互补函数将问题等价转化为一般约束最优化问题,然后结合广义投影技术和强次可行方向法思想,建立了问题的一个新算法.算法在迭代过程中保证搜索方向不为零,从而使得每次迭代只需计算一次广义投影.在适当的条件下,证明了算法的全局收敛性,并对算法进行了初步的数值试验.     

锂离子电池硅氧化物负极首次库伦效率的影响因素与提升策略

硅氧化物(SiO_x, 0<x≤2)具有高的比容量和低的嵌锂电位, 且体积膨胀率显著低于纯硅负极, 因而被认为是替代传统石墨负极材料的理想选择之一. 然而SiO_x负极在首次嵌锂过程中表面形成的固体电解质界面膜(SEI)以及大量的不可逆产物, 造成其首次库伦效率偏低, 严重阻碍了SiO_x负极的实际应用. 本文从SiO_x的结构模型出发, 系统阐述了SiO_x负极的嵌锂机理以及首次库伦效率低的原因; 归纳了SiO_x负极首次库伦效率的提升策略及其研究进展; 并对提升SiO_x负极首次库伦效率的未来发展方向进行了展望.     

Influence of the molding angle on tensile properties of FDM parts with orthogonal layering

Fused deposition molding (FDM) is one of the most widely used three‐dimensional (3D) printing technologies. This paper explores the influence of the forming angle on the tensile properties of FDM specimens. Orthogonal layering details were studied through experiments, theory, and finite element simulations. The stiffness and strength of the specimens were analyzed using the classical laminated plate theory and the Tsai–Wu failure criterion. The experimental process was simulated using finite element simulations. Results show that it is feasible to predict the stiffness and strength of FDM specimens using classical laminated plate theory and the Tsai–Wu failure criterion. A molding angle of 45° leads to specimens with maximized tensile properties. Numerical simulations show that changing the molding angle changes the internal stress and deformation fields inside samples, leading to FDM samples with different mechanical properties due to the orthogonal layers at different molding angles.     

一个改进的SQP型算法

本文建立非线性等式和不等式约束规划问题的一个序列二次规划(SQP)型算法.算法的每次迭代只需解一个确实可解的二次规划，然后对其解进行简单的显式校正，便可产生关于罚函数是下降的搜索方向，克服Maratos效应.在适当的假设条件下，还论证了算法的全局收敛性和超级收敛性.     

n—型聚乙炔复合膜电极性能的研究

自MacDiarmid等将聚乙炔(PA)做为二次电池的电极材料以来,其电化学特性和行为引起了人们的极大兴趣.随后的研究表明,p-型PA[(CH)~(y )Ay~-]_x在电解液中不稳定,用ClO_4~-掺杂的PA充放循环时有降解发生.n-型PA[My~ (CH)~(y-)]_x(y≤0.10)在THF/LiClO_4电解质中较稳定,电化学还原完全可逆,目前已实现1100次充放循环.因此,它既可做电池的正极材料(碱金属为负极),又可做负极材料(TiS_2为正极).我们发现     

Carbon dots doped with heteroatoms for fluorescent bioimaging: a review

Carbon dots (CDs) possess superior fluorescent properties in that they do not blink, are biocompatible, chemically inert, have small size and well tunable photoluminescence (PL), can be easily functionalized with biomolecules, and can be multi-photon excited to give up-converted PL. This review (with 141 refs.) summarizes recent progress in the field of imaging using carbon dots doped with heteroatoms (X-CDs). Following an introduction, we discuss top-down and bottom-up strategies for synthesis and methods for surface modification. We also compare the differences in synthesis for undoped CDs and X-CDs. Specifically, CDs doped with heteroelemets nitrogen, phosphorus, sulfur, selenium, boron and silicium are treated. We then discuss method for determination of the properties (particle size, ZP), how doping affects fluorescence (spectra, quantum yields, decay times), and how dopants affect upconversion (UC, anti-Stokes luminescence). We finally review the progress made in fluorescent imaging of cells tissue, and other biomatter. This review also gives new hints on how to use synthetic methods for tuning the structure of X-CDs, how doping affects properties, and how to achieve new bioimaging applications.

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Graphical abstract Carbon dots doped with heteroatoms (X-CDs) are a kind of fluorescent nanomaterials that display bright fluorescence, high quantum yield, photostability, biocompatibility and low toxicity. Hence, they possess large potential for both in-vitro and in-vivo bioimaging.

     

铜掺杂氧化锌纳米纤维宽线性响应乙醇气体传感器

采用电纺丝技术结合高温煅烧制备了铜掺杂氧化锌复合纳米纤维,并通过XRD,XPS,SEM和TEM等手段对材料进行表征.将所得材料作为敏感层构筑了气体传感器,器件对乙醇蒸气具有很好的传感特性,特别是当Cu/Zn摩尔比为1∶60时,由于Cu组分的活化作用,所得传感器不仅具有高灵敏度、快速响应恢复(2 s/7 s)特性及优良的稳定性,而且在5~104μg/g超大乙醇蒸气浓度范围内都能保持良好的线性关系(R2=0.99),这不仅有利于乙醇实际检测,而且对宽响应范围及高灵敏传感器的发展具有重要意义.     

超线性与二次收敛序列线性方程组算法

本文,在无严格互补条件下,对非线性不等式约束最优化问题提出了一个新的序列线性方程组(简称SSLE)算法．算法有两个重要特征:首先,每次迭代,只须求解一个线性方程组或一个广义梯度投影阵,且线性方程组可以无解．其次,初始点可以任意选取．在无严格互补条件下,算法仍有全局收敛性、强收敛性、超线性收敛性及二次收敛性．文章的最后,还对算法进行了初步的数值实验．     

导数示波极谱法测定废水中微量的对硝基苯乙酮

对硝基苯乙酮在０．０２５ｍｏｌ·Ｌ－１乙二胺－０．０１０ｍｏｌ·Ｌ－１ＥＤＴＡ底液中，产生一灵敏的极谱峰电流．峰电位为－０．３５Ｖ（ｖｓ．ＳＣＥ）．对硝基苯乙酮浓度在３．００×１０－８～１．００×１０－４ｍｏｌ·Ｌ－１范围内，浓度与峰电流成线性关系．检测限为３．００×１０－８ｍｏｌ·Ｌ－１．本方法用于氯霉素制药厂废水中的对硝基苯乙酮的测定，取得满意的结果     

Total Syntheses of (−)‐Huperzine Q and (+)‐Lycopladines B and C

Utilizing a late‐stage enamine bromofunctionalization strategy, the twelve‐step total synthesis of (?)‐huperzine Q was accomplished. Furthermore, the first total syntheses of (+)‐lycopladines B and C are described. An unprecedented X‐ray crystal structure of an unusual epoxyamine intermediate is also reported, and the synthetic application of this intermediate in natural product synthesis is demonstrated.