Chemical bonding in representative astrophysically relevant neutral,cation, and anion HCnH chains

Most existing studies assign a polyynic and cumulenic character of chemical bonding in carbon-based chains relying on values of the bond lengths. Building on our recent work, in this paper we add further evidence on the limitations of such an analysis and demonstrate the significant insight gained via natural bond analysis. Presently reported results include atomic charges, natural bond order and valence indices obtained from ab initio computations for representative members of the astrophysically relevant neutral and charged HC_2k/2k+1H chain family. They unravel a series of counter-intuitive aspects and/or help naive intuition in properly understanding microscopic processes, e.g., electron removal from or electron attachment to a neutral chain. Demonstrating that the Wiberg indices adequately quantify the chemical bonding structure of the HC_2k/2k+1H chains—while the often heavily advertised Mayer indices do not—represents an important message conveyed by the present study.     

共享自动驾驶汽车使用意愿模型及其影响因素

为了构建共享自动驾驶汽车(shared autonomous vehicles，SAV) 的使用意愿模型并分析其影响因素，通过使用时机和使用频率来体现公众对SAV的使用意愿；采用验证性因子分析将态度潜变量转化为潜变量得分，以此将态度潜变量引入传统的有序Logit模型；提出SAV使用意愿的有序Logit模型构建方法，并建立基于个人属性、通勤特征、态度潜变量的SAV使用意愿模型.研究发现:是否使用过滴滴拼车、工作单位停车费、自动驾驶态度对使用时机和3种价格(1，2，3元/km) 下的使用频率有显著影响；使用过滴滴拼车、工作单位收取停车费、支持自动驾驶的群体倾向于频繁地、更早地使用SAV出行；公众期望以1元/km或 2元/km即不超过目前滴滴拼车的价格使用SAV.     

Pattern transition and regulation in a subthalamopallidal network under electromagnetic effect

Although the significant roles of magnetic induction and electromagnetic radiation in the neural system have been widely studied, their influence on Parkinson's disease (PD) has yet to be well explored. By virtue of the magnetic flux variable, this paper studies the transition of firing patterns induced by magnetic induction and the regulation effect of external magnetic radiation on the firing activities of the subthalamopallidal network in basal ganglia. We find: (i) The network reproduces five typical waveforms corresponding to the severity of symptoms: weak cluster, episodic, continuous cluster, episodic, and continuous wave. (ii) Magnetic induction is a double-edged sword for the treatment of PD. Although the increase of magnetic coefficient may lead the physiological firing activity to transfer to pathological firing activity, it also can regulate the pathological intensity firing activity with excessive β-band power transferring to the physiological firing pattern with weak β-band power. (iii) External magnetic radiation could inhibit continuous tremulous firing and β-band power of subthalamic nucleus (STN), which means the severity of symptoms weakened. Especially, the bi-parameter plane of the regulation region shows that a short pulse period of magnetic radiation and a medium level of pulse percentage can well regulate pathological oscillation. This work helps to understand the firing activity of the subthalamopallidal network under electromagnetic effect. It may also provide insights into the mechanisms behind the electromagnetic therapy of PD-related firing activity.     

基于差异信息量的多源数据融合方法

D-S证据理论可应用于多源数据融合领域，但在处理高度冲突的证据时，可能会出现反直觉的结果.为解决这一问题，本文提出了差异信息量的概念及融合方法.首先，通过信息熵表明证据的相对重要性，采用散度获取证据可信度.然后利用证据可信度优化证据差异度以得到差异信息量，经过计算获取数据的最终权重，并将其作为D-S证据理论中的基本概率分配进行决策.在处理冲突证据、一致证据及不同数量证据等方面的数据融合问题时与其他方法对比，所提方法收敛更快，准确度更高.故障诊断的应用实例表明，所提方法的不确定性更小，优于现存的其他方法.     

李雅普诺夫：逐梦唯美天空的俄罗斯数学家

 李雅普诺夫是圣彼得堡数学学派的中流砥柱，创立了运动稳定性理论、旋转液团平衡形状理论和微分方程定性理论，探索了概率论中心极限定理和一系列其他深刻数学力学问题，为俄罗斯跻身世界科技强国做出了卓越贡献。通过采撷李雅普诺夫的动人爱情诗篇和唯美科学奋斗目标，展示了其美丽的爱情观和追求卓越的科学精神、人生观和宇宙观。     

改进遗传算法及其在钻井液设计中的运用

在深井、超深井以及地层复杂等条件下，为了避免或减少钻井事故的发生，达到优质快速钻井的目的，选择合适的钻井液体系至关重要。基于案例推理（CBR，Case-Based Reasoning）的钻井液设计中，钻井液体系由岩性、井型和井深等属性推理得出，但属性权重的分配会对推理结果产生显著的影响；遗传算法在优化属性权重时，存在收敛速度慢、收敛精度低的缺点。针对上述问题，提出一种解决CBR中属性权重分配问题的改进遗传算法。首先，对遗传算子进行改进：选择算子方面，利用指数尺度变换法优化个体选择；交叉算子方面，对算术交叉中的比例因子进行自适应调整；变异算子方面，改进个体变异方向，保持种群多样性。其次，从个体适应度和交叉个体的差异程度两方面实现交叉概率自适应调整。最后，通过对UCI数据集的对比实验，证明了改进后的遗传算法能改善全局收敛性能，提高CBR的准确率。将该算法运用到基于CBR的钻井液设计中，实验结果表明，所提方法能够优化属性权重的分配，进而提高钻井液设计的质量。     

Synthesis and characterization of VO–vanillin complex immobilized on MCM-41 and its facile catalytic application in the sulfoxidation reaction,and synthesis of 2,3-dihydroquinazolin-4(1H)-ones and disulfides in green media

In this work, a vanillin complex is immobilized onto MCM-41 and characterized by FT-IR, X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, thermogravimetric analysis, and BET techniques. This supported Schiff base complex was found to be an efficient and recoverable catalyst for the chemoselective oxidation of sulfides into sulfoxides and thiols into their corresponding disulfides (using hydrogen peroxide as a green oxidant) and also a suitable catalyst for the preparation of 2,3-dihydroquinazolin-4(1H)-one derivatives in water at 90°C. Using this protocol, we show that a variety of disulfides, sulfoxides, and 2,3-dihydroquinazolin-4(1H)-one derivatives can be synthesized in green conditions. The catalyst can be recovered and recycled for further reactions without appreciable loss of catalytic performance.     

轧制道次间插入冷却对特厚钢板组织与性能的影响

使用实验轧机旁冷却装置配合轧机进行轧制实验，研究轧制道次间不同冷却工艺对特厚钢板组织和性能的影响规律.研究结果表明:采用道次间冷却工艺可以在全厚度方向获得组织细化及强韧性提高效果，采用强冷道次间冷却实验钢1/4处晶粒尺寸可细化至10μm，强度为376MPa，-40℃冲击功为169J;心部晶粒尺寸可细化至15μm，强度为360MPa，-40℃冲击功为123J.本工艺可形成470μm厚表层细晶层，晶粒尺寸可细化至5μm;粗轧道次间插入冷却工艺轧制钢板强度和冲击韧性优于中间坯冷却工艺;随冷却强度增加，钢板内部组织明显细化且强度大幅提高.