N,N-二[(二苯基膦)甲基]-2-吡啶胺溴化铜(Ⅰ)配合物的合成和光谱

合成了一种新配体N,N-二[(二苯基膦)甲基]-2-吡啶胺(L)及其双核铜(Ⅰ)配合物(CuBrL)2(1),采用1HNMR、吸收光谱、质谱和元素分析等方法对化合物进行表征,并通过X射线单晶衍射确定配合物1的晶体结构。该晶体结构属三斜晶系,P-1空间点群。配合物1是中心对称的双核Cu(Ⅰ)配合物,中心离子Cu(Ⅰ)采取扭曲四面体空间构型,分别与配体L的两个P原子和两个桥联的Br原子配位;其中Cu-Cu距离为0.3060nm,大于两个铜原子的范德华半径之和,因此不存在Cu-Cu相互作用。密度泛函理论(DFT)计算表明1的HOMO电子密度主要集中于铜和卤素原子,而LUMO电子密度分布在配体(L)上。研究工作表明,配合物1的最低能级激发态通过金属到配体电荷跃迁(MLCT)和卤素到配体的电荷跃迁(XLCT)两种机制形成。     

带时间窗取送货问题的混合算法

为解决带时间窗的取送货问题,建立了集合划分模型,设计列生成算法与启发式规则相结合的CGA混合算法进行求解。首先,放松约束构建主问题及受限主问题,运用单纯形法与分支定界进行求解;其次,建立时空网络以构建子问题,基于修正的Dijkstra's算法,设计包含算法A、B1、B2的求解算法;最后,通过启发式算法解决节点重复覆盖问题。为验证算法有效性,进一步构建了OPT近似最优解算法;并基于CGA提出三种求解策略C1、C2、C3,做单因素方差分析,采用算例分析算法的性能。实验结果表明,对于客户点数量小于30的小规模算例,CGA与OPT所得结果相近,但CGA求解效率更显著;针对客户点数量为600的大规模算例,CGA至多在20分钟内求得结果,可见本文算法的精度和效率较高。而针对不同类型及规模的客户点的单因素方差分析结果显示,C1、C2、C3在“平均行驶距离成本”、“平均车辆数”、“平均求解时间”三个维度上差异性显著,经营者可根据实际需求进行策略选择。     

Ecological optimization for an irreversible magnetic Ericsson refrigeration cycle

An irreversible Ericsson refrigeration cycle model is established, in which multi-irreversibilities such as finite-rate heat transfer, regenerative loss, heat leakage, and the efficiency of the regenerator are taken into account. Expressions for several important performance parameters, such as the cooling rate, coefficient of performance （COP）, power input, exergy output rate, entropy generation rate, and ecological function are derived. The influences of the heat leakage and the time of the regenerative processes on the ecological performance of the refrigerator are analyzed. The optimal regions of the ecological function, cooling rate, and COP are determined and evaluated. Furthermore, some important parameter relations of the refrigerator are revealed and discussed in detail. The results obtained here have general significance and will be helpful in gaining a deep understanding of the magnetic Ericsson refrigeration cycle.     

Hard X-ray optics simulation using the coherent mode decomposition of the Gaussian Schell model

The propagation of a hard X-ray beam from a partially coherent synchrotron source is simulated by using the novel method based on the coherent mode decomposition of Gaussian Schell model and wave-front propagation. We investigate how the coherency properties and intensity distributions of the beam are changed by propagation through optical elements. Here, we simulate and analyze the propagation of the partially coherent radiation trans- mitted through an ideal slit. We present the first simulations for focusing partially coherent synchrotron hard X-ray beams using this novel method. And when compared with the traditional method which assumes the source is a totally coherent point source or completely incoherent, this method is proved to be more reasonable and can also demonstrate the coherence properties of the focusing beam. We also simulate the Young’s double slit experiment and the simulated results validate the academic analysis.     

Well-Posedness in Critical Spaces for the Full Compressible Mhd Equations

In this paper we prove local well-posedness in critical Besov spaces for the full compressible MHD equations in ?N, N≥ 2${?}^N,\hspace{0.17em}N\ge \hspace{0.17em}2$ under the assumptions that the initial density is bounded away from zero. The proof relies on uniform estimates for a mixed hyperbolic/parabolic linear system with a convection term.     

硼烯化合物的合成及应用

In most cases, borylenes containing boron (I) are unstable. In this article, we proceed from the electron configuration of borylene and review the common methods of stabilizing this category of compounds through a series of borylenes in literature. In addition, the article briefly introduces the metallic borylenes and non-metallic borylenes and their properties. Some of these properties have been applied in nitrogen fixation.     

北京谱仪III上利用神经网络方法进行粒子鉴别的研究

本文描述了一种多层感知器的神经网络系统在BESIII粒子鉴别技术中的应用。网络按照子探测器分别进行训练, 输出结果可以作为后续网络的输入或者可以为似然函数方法构建概率密度函数。蒙特卡罗模拟样本的检验结果表明, 利用神经网络方法可以在BESIII上获得较好的粒子鉴别效果。     

Realization of Ultraviolet Electroluminescence from ZnO Homojunction Fabricated on Silicon Substrate with p-Type ZnO:N Layer Formed by Radical N2O Doping

ZnO homojunction light-emitting diodes are fabricated on Si（100） substrates by plasma assisted metal organic chemical vapour deposition. A p-type layer of nitrogen-doped ZnO film is formed using radical N2O as the acceptor precursor. The n-type ZnO layer is composed of un-doped ZnO film. The device exhibits desirable rectifying behaviour with a turn-on voltage of 3.3 V and a reverse breakdown voltage higher than 6 V. Distinct electrolumineseence emissions centred at 395nm and 490nm are detected from this device at forward current higher than 20mA at room temperature.     

光谱法研究硫唑嘌呤与人血清白蛋白的相互作用

采用荧光光谱法研究了巯嘌呤药物与人血清白蛋白(HSA)分子间的相互结合反应.测定了硫唑嘌呤与HSA反应的结合平衡常数为:4.13×106L/mol.结合位点数n为1-2.运用Baster偶极与偶极非辐射能量转移原理,测定了硫唑嘌呤与HSA结合距离为r=2.59nm.并用同步荧光法考察了硫唑嘌呤对HSA构像的影响,证实了硫唑嘌呤药物与人血清白蛋白的相互结合作用为单一的静态猝灭过程.