Atomistic insight into the hydration and proton conducting mechanisms of the cobalt doped Ruddlesden-Popper structure Sr3Fe2O7-δ

Sr₃Fe₂O_7-δ (SFO) with two-layer Ruddlesden-Popper (R–P) structure has recently been proved to be a promising material for the single phase cathode in proton conducting solid oxide fuel cells (P–SOFCs). To investigate the hydration reactions and proton conducting mechanisms of SFO and cobalt doped SFO (SFCO), both bulk and surface properties were calculated. We conclude that R–P structures have advantages in P–SOFCs. The unique Sr–O–M layer can facilitate the hydration process. Although in Sr–O–F and Sr–O–N layers, it is difficult for the formation and migration of oxygen vacancies, protons are most stable. Furthermore, cobalt doping can not only improve the electronic conductivity but also enhance surface properties of SFCO. The easily exposed Co–Fe–O surface can also facilitate the hydration reactions on the surface. Our work could give an informative insight into the relationships among the doped elements, the R–P structures, the hydration process and the proton conducting properties.     

中国省际绿色技术创新效率测度及影响因素研究

文章基于2011—2017年中国30个省份面板数据，运用super-SBM模型对绿色技术创新效率进行测算，并利用ML指数对绿色技术创新效率进行动态分析，最后通过空间滞后模型分析影响效率的关键因素。研究结果表明：中国绿色技术创新效率呈逐渐增长的趋势，但整体效率偏低，有较大进步空间；中国绿色技术创新效率存在明显区域差异，呈现由东部向西部递减的格局；绿色技术创新水平的提高是技术效率和技术进步共同贡献的结果；产业结构、区域开放程度和教育水平对绿色技术创新效率产生积极的正向影响，环境规制和研发投入强度对绿色技术创新效率影响不显著。     

无源光网络标准发展及关键技术研究

无源光网络(Passive Optical Network,PON)作为当今接入网的主要技术解决方案,具有带宽使用效率高、传输距离远、抗干扰能力强等特点.通过研究PON技术的发展动态,本文首先归纳了各种PON技术的产生背景和应用特点,整理出各技术间的连接关系及主要标准;其次介绍了PON技术的帧结构,并对带宽、波长、传输模式等PON技术的主要参数进行了汇总;然后将国内外研究热点进行划分,围绕媒体访问控制协议、帧结构、动态带宽分配算法、节能机制等关键技术,阐述了其研究现状及在PON中的重要作用;最后对PON技术的发展趋势进行了展望.     

Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

基于VOF模型的层叠器流动过程分析及流道结构优化

基于FLUENT软件的流体体积(VOF)模型研究了不同壁面滑移程度以及不同流道结构参数下4层等厚熔体通过层叠器倍增为8层熔体时,流道中熔体的分层情况变化。结果表明,壁面滑移程度的降低会促使熔体在上下壁面聚集,进而导致上下壁面处熔体层厚增加;汇流段与出口段间圆角半径、汇流段扩压角和平衡段长度这3个结构参数则只会影响熔体在左右壁面的聚集,进而影响各层熔体的尺寸精度,且其中扩压角的影响程度最大,平衡段长度次之,圆角半径的影响较小。     

金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

基于颜色四通道及空间金字塔的鱼类图像检索

随着计算机视觉技术在海洋水产领域中的应用不断加深，鱼类图像检索在渔业资源调查、鱼类行为学分析等方面发挥了巨大的作用。通过研究发现，鱼类图像的背景信息会对鱼类图像检索造成极大干扰，而且鱼类图像中颜色、纹理、形状等特征由于空间位置信息的缺乏而使检索的准确率不高。为解决以上问题，提出了一种新的基于颜色四通道及空间金字塔的鱼类图像检索算法。首先，提取视觉显著性图将鱼类图像的前景和背景分开，从而减少图像背景对检索的干扰；其次，为了使图像特征包含一定的空间位置信息，利用空间金字塔的理论对图像进行分割，在此基础上，将图像转为HSVG四通道图并提取SURF特征；；最后，得到检索结果。为验证所提算法的有效性，在QUT_fish_data数据集和DLOU_fish_data数据集上对算法的查全率、查准率与经典的HSVG算法和显著性分块算法进行对比：在两个数据集上查准率分别比传统的HSVG算法最多分别提高12%和5%，查全率最多分别提高7%和22%；比传统的显著性分块算法查准率最多分别提高15%和5%，查全率最多分别提高36%和22%；从而证明所提算法是有效的，能有效提升鱼类图像的检索效果。     

超深溜井爆破一次成井技术实践

为解决溜井掘进效率低、安全性差等问题，以柿竹园多金属矿掘进出矿溜井为例，提出了爆破一次成井技术，根据矿山具体爆破条件，设计了布孔参数、装药结构和起爆顺序等。实践表明，爆破一次成井技术施工天井效果良好，溜井贯穿上下2个分段，与设计相符，相较于普通法施工天井，节约成本30.7%，节约时间58.3%，经济效益显著，施工周期短，且安全性好，值得在其他类似矿山推广应用。     

采油树平板闸阀柔性密封圈结构优化设计

为了提高采油树平板闸阀密封圈的密封性能,在泛塞封的基础上,设计一种密封圈本体唇边开有锯齿状凸起的新型柔性密封结构;运用有限元分析方法模拟密封圈的工作状况,分析柔性密封结构特性参数对密封圈密封性能的影响,获得不同柔性密封圈结构参数下密封面间接触应力分布规律,并对新型密封结构进行优化。结果表明:密封面间最大接触应力随唇边锯齿数量、唇边夹角度数的增大而增大,随唇谷夹角度数的增大而减小;新型密封结构选择锯齿数量为3、唇边夹角为20°、唇谷夹角为30°的特性参数时,其最大接触应力比常规Y形密封圈提高了15倍;新型柔性密封结构的密封圈与阀杆、阀盖壁面间接触应力比常规Y形密封圈有显著提高,提高了密封圈的密封性能。