苯/二联苯为桥的噻吩-吡咯-噻吩结构:分子构型及电致变色性质

A series of multi-branched dithienylpyrrole (SNS) monomers with rigid phenyl (PhSNS) and biphenyl rings (BPhSNS) as bridges were designed and synthesized, and were fabricated to form cross-linked polymers (pPhSNS, pBPhSNS) by electrochemical polymerization. Cyclic voltammetry (CV) results showed that PhSNS and BPhSNS exhibited similar oxidative properties except for one new higher-potential oxidative peak appearing in the curves of PhSNS. Theoretical calculations indicated that it should be attributed to the different steric configuration between the two dithienylpyrrole (SNS) units in PhSNS. One SNS unit possessed a larger twist angle (40.2°) between thiophene and pyrrole rings than the other one (21.2°), which indicated that PhSNS possessed a relatively larger energy gap (~0.4 eV) between HOMO-1 and HOMO than BPhSNS, for which HOMO and HOMO-1 levels were of almost the same energy. However, both PhSNS and BPhSNS showed similar onset oxidation potentials. The CV curves of pPhSNS and pBPhSNS showed that they presented similar oxidative properties, which enabled their corresponding electrochemical polymers to exhibit similar electrochromic properties. The UV-vis spectra of the corresponding polymers showed that both pPhSNS and pBPhSNS possessed similar optical absorption and similar multicolor switching between yellow (-0.8 V), greyish-green (0.9 V) and gray (1.1 V) colors. Besides, pPhSNS and pBPhSNS showed fast switching times of 0.57 s and 0.93 s at 1100 nm, respectively and reasonable contrasts of 46% and 31% at 1100 nm, respectively. These investigations may help understand the relationship between structural configuration and the electrochemistry/electrochromic properties for polymer electrochromic (PEC) materials research.     

一维固-液掺杂声子晶体缺陷模的机理研究

建立了一维固-液掺杂声子晶体的谐振腔模型,利用谐振腔的共振条件推导出了缺陷模频率满足的解析公式,从理论上解释了产生一维固-液掺杂声子晶体缺陷模的物理机理.利用频率的解析公式研究了缺陷模的频率随入射角、杂质厚度、杂质波速的变化规律.结果表明:缺陷模的频率随入射角和杂质波速的增加而增加,缺陷模的频率随杂质厚度的增加而减少,圆满地解释了一维固-液掺杂声子晶体缺陷模的变化规律.在此基础上并与转移矩阵法的计算结果进行了比较,其结果吻合.     

基于演化博弈理论的知识服务网络复制动态模型

在知识服务网络中,知识供应方和知识需求方在传递知识的过程中进行着重复博弈,并根据收益矩阵选择有利策略逐渐模仿,最终采用某个策略达到了演化稳定均衡状态.首先,根据演化博弈理论,建立了知识服务网络的复制动态演化博弈模型.然后,采用多智能体建模仿真方法及Netlogo仿真平台对所建模型进行仿真分析.最后,通过仿真分析得到在不同的初始情况下,知识主体最终的演化稳定策略与各主体中采取合作策略的初始比例和鞍点的大小关系有关,验证了所建立模型的正确性.     

灰色理论和BP神经网络在大学生就业信心指数预测中的应用

采用大学生就业信心指数来分析预测其就业信心是值得研究的问题.提出一种灰色理论和BP神经网络相结合的方法对大学生就业信心指数进行预测.首先对影响就业信心的主要因素建立不同的灰色模型,然后将每个灰色模型的预测值作为神经网络的输入,利用神经网络进行组合预测以作为其最终的预测值.结果表明组合模型的预测值相对误差更小,精度更高.     

推荐一本好书——《物理学中的群论》

复旦大学陶瑞宝院士编著的《物理学中的群论》于2011年由高等教育出版社出版发行.准确的定位、重点突出的内容、合理的体系编排使得此书一经出版就迅速获得本科高年级学生、研究生、广大高校老师和科学工作者的欢迎和好评.2013年,本书入选"十二五"国家重点图书规划.     

吡喃木糖热裂解机理的密度泛函理论研究

采用密度泛函理论理论方法M062X/6-311++G(d,p)，对吡喃木糖的热解反应机理进行了理论计算分析。针对吡喃木糖热解可能发生的化学反应共设计了九条可能的热解路径，并对各路径中的反应物、中间体和过渡态的几何结构进行了能量梯度全优化，并在梯度全优化的基础上计算了各热解反应路径的热力学和动力学参数。文中以两大类方式来设计反应路径：1）木糖首先经过过渡态TS1发生开环反应生成链状中间体2，该步的反应能垒为188.7 kJ/mol，对于中间体2共设计了五种可能的热解反应路径；2）考虑双键同时断裂的情况，木糖先发生脱水反应，接着按C-C和C-O键同时断裂的情况发生开环反应，针于这种情况共设计了四条可能的热解路径。计算结果表明，吡喃木糖热解的主要反应产物有乙醇、乙醛、糠醛、丙酮、酸类、CO2和CO等小分子化合物。     

Integral Self-affiine Tiles of Bandt＇s Model

Integral self-affine tiling of Bandt＇s model is a generalization of the integral self-affine tiling. Using ergodic theory, we show that the Lebesgue measure of the tile is a rational number where the denominator equals to the order of the associate symmetry group. We apply the result to the study of the Levy Dragon.     

Nuclear data for the cyclotron production of ~（117）Sb and ~（90）Nb

This presented study is to make comparison of cross sections to produce ¹¹⁷Sb and ⁹⁰Nb via different reactions with particle incident energy up to 70 MeV as a part of systematic studies on particle-induced activations on enriched Sn, Y₂O₃ and ZrO₂ targets, theoretical calculation of production yield, calculation of required thickness of target and suggestion of optimum reaction to produce Antimony-117 and Niobium-90.