Annihilation of persistent slip bands and its effect on the fatigue life of copper single crystals

In single-slip-oriented copper single crystals, which were cyclically deformed under constant plastic shear strain amplitude control, a persistent slip band (PSB) was initiated on the persistent slip line (PSL) that first formed in the matrix vein dislocation structure. During intermediate temperature recovery (ITR) treatment in vacuum at 245 to 400°C, the variations in dislocation configurations and other defects of fatigued specimens were studied by using the scanning electron microscopy (SEM) electron channelling contrast (ECC) and the positron annihilation life (PAL) techniques. The results show that the ladders in the PSBs became curved and broken, or escaped locally until the PSBs disappeared completely during ITR treatment. The annihilation of the PSBs and other dislocation structures in the fatigued specimens prolonged the fatigue life to a certain extent.     

Imide‐functionalized naphthodithiophene based donor‐acceptor conjugated polymers for solar cells

Donor‐acceptor conjugated polymers containing a new imide‐functionalized naphthodithiophene (INDT) as the acceptor unit and a 2,2'‐bithiophene with varied substituents as the donor unit have been synthesized. The bandgaps of these polymers depend strongly on the dihedral angle of the 2,2'‐bithiophene unit. The 3,3'‐dialkoxy substitution (polymers PDOR / PBOR ) leads to near planar bithiophene conformation due to the well‐known S–O short contact, while the 3,3'‐dialkyl substitution (polymer PDR ) results in significant twisting due to the steric effect. Consequently PDOR / PBOR shows the lowest bandgap of 1.82/1.85 eV while PDR has a bandgap of 2.38 eV. Bulk‐heterojunction solar cells of the polymer/fullerene blends have been fabricated. Preliminary results show that PBOR gives the best device performance with power conversion efficiencies as high as 2.45% in air without any thermal annealing treatment, indicating the promising potential of INDT‐containing conjugated polymers for efficient solar cells. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013 , 51, 3818–3828     

聚脲甲醛-生物油微胶囊的研制及性能探究

为研究微胶囊对沥青路面微裂纹的愈合效果,首先利用聚脲甲醛(作为微胶囊壁)和生物油(作为微胶囊心)采用原位聚合法制备微胶囊,采用扫描/透射电子显微镜(SEM/TEM)和热重分析(TGA)探究微胶囊的外观形貌和热稳定性;然后将微胶囊用于制备微胶囊/苯乙烯-丁二烯-苯乙烯(Microcapsule/SBS)复合改性沥青,通过动态剪切流变仪(DSR)和离析试验探究微胶囊的掺加对复合改性沥青路面性能的影响;最后通过延度愈合率试验验证微胶囊的愈合效果,并结合宏微观试验分析其愈合机理。结果表明：微胶囊呈现类球状,且表面较为粗糙,增大了与沥青的接触面积。微胶囊的热稳定性较好,其囊壁可承受沥青混合料生产过程中的高温环境。随着微胶囊的添加,复合改性沥青的低温塑性和耐热性均有所改善。此外,复合改性沥青的储能模量和损失模量也有所提升,即微胶囊的添加提升了SBS改性沥青的黏弹性能,这可能是由于添加的微胶囊与SBS和基质沥青具有很好的相容性,且微胶囊均匀分散在沥青内部并嵌入SBS呈现的网状结构中,这也在离析试验和荧光显微试验中得以证实。当微胶囊的掺量为0.4%时,复合改性沥青的愈合率达到最高。     

基于参数化建模方法的复合式盾构机刀盘力学性能分析与结构优化

刀盘是盾构机的核心部件之一,合理的刀盘结构设计是安全高效掘进的基础。为了快速高效建立刀盘有限元模型并分析其力学性能,采用基于APDL（ANSYS parametric design language）命令流开发的参数化建模方法,建立了某型号复合式盾构机刀盘的数字模型。对刀盘施加极限工况下的推力和扭矩,通过静力学分析得到了刀盘的应力分布和变形分布,确定了最大应力和最大变形位置,校核了刀盘的静强度和静刚度。进一步以刀盘总质量为优化目标,以刀盘强度和刚度为约束条件建立了基于参数化建模的刀盘结构优化方法,提出了刀盘结构优化流程。通过参数敏感性分析确定了刀盘优化参数,探究相关参数对刀盘强度和刚度的影响。对复合式盾构机刀盘的关键参数进行优化。结果表明：优化后刀盘的最大应力降低了12%,最大变形降低了20%,质量减轻了119 kg。因此,基于参数化建模的优化方法可以提供刀盘的强度与刚度,并同时降低刀盘质量。研究成果可为后续多目标刀盘结构优化提供参考。     

湖南锡矿山高锑地下水稳定碳同位素特征及其富锑意义

溶解性有机碳是地下水中Sb富集的关键因素,为探明湖南锡矿山高Sb地下水稳定碳同位素特征,揭示有机质氧化分解过程对地下水中Sb富集的影响,对湖南锡矿山高Sb地下水选用碳稳定同位素分馏和水化学相结合的方式进行分析。结果表明：湖南锡矿山高Sb地下水δ13CDIC值在-17.84‰~-2.30‰之间,δ13CDOC值在-26.87‰~-16.70‰之间。高Sb地下水中Sb与DOC、HCO3-均呈正相关关系,表明微生物作用对高Sb地下水中Sb的富集具有较大的贡献。高Sb地下水溶解性有机碳相对于溶解性无机碳具有更负的δ13C值,DOC主要受内源有机质的影响;随着δ13CDIC-δ13CDOC差值的减小,Sb浓度逐渐升高,表明由于微生物的存在,有机质的氧化分解明显促进了高Sb地下水中Sb的富集。     

基于突变理论的深部煤柱稳定性

本文针对神华新街矿区盾构工法建设煤矿长距离斜井,研究了深部条件下保护煤柱的自身稳定性。研究发现,根据煤柱不同区域受力特征的差异性,可将其分成弹性核区和边缘塑性区,在此基础上建立了煤柱尖点突变模型,并经推导得到了煤柱的失稳判别公式。通过数值计算(UDEC)分析了深部盾构斜井保护煤柱在开采过程中的稳定状态。试验结果表明,随着煤层的开采能量缓慢释放,120m煤柱自边缘向内部逐渐屈服,并在单侧出现4.5m的塑性区。经公式判别,该工程中保护煤柱可以在深部开采条件下保持稳定,研究结果对相似工程中合理煤柱的留设提供了借鉴。     

基于自监督信息增强的图表示学习

针对图表示学习模型依赖具体任务进行特征保留以及节点表示的泛化性有限等问题,本文提出一种基于自监督信息增强的图表示学习模型(Self-Variational Graph Auto Encoder,Self-VGAE)。Self-VGAE首先使用图卷积编码器和节点表示内积解码器构建变分图自编码器(Variational Graph Auto Encoder,VGAE),并对原始图进行特征提取和编码;然后,使用拓扑结构和节点属性生成自监督信息,在模型训练过程中约束节点表示的生成。在多个图分析任务中,Self-VGAE的实验表现均优于当前较为先进的基线模型,表明引入自监督信息能够增强对节点特征相似性和差异性的保留能力以及对拓扑结构的保持、推断能力,并且Self-VGAE具有较强的泛化能力。     

厄尔尼诺和南方涛动海气耦合模型中参数估计的变分方法

提出一种基于变分原理估计厄尔尼诺和南方涛动海气耦合模型中未知参数的方法. 首先将所研究的非线性海气耦合动力方程引入到目标泛函中; 接着利用变分方法导出伴随方程和待辨识参数泛函梯度的公式; 然后设计了估计未知参数的算法.数值试验结果表明变分方法是一 种能有效估计海气耦合非线性系统未知参数的方法.     

Substrate-controlled and highly stereoselective synthesis of 2-aminobut-2-ene-1, 4-diones

2-Methylthio-substituted 1,4-enediones, obtained from readily available aryl methyl ketones, were reacted with primary or secondary amines to afford the desired 1,4-diaryl-2-aminobut-2-ene-1,4-diones in excellent yields with high Z/E-stereoselectivity.     

Transfer hydrogenation of imines with carboxyl-tailed benzothiazoline as readily removable hydrogen donor

A benzothiazoline bearing 4-carboxyphenyl group at 2-position was developed as an efficient hydrogen donor for the transfer hydrogenation reaction. Introduction of the carboxyl group significantly facilitated the removal of the residual benzothiazoline and benzothiazole by washing with aqueous basic solution. The present approach provides a convenient and straightforward access to various amines with broad substrate scope and in good yields.