NHC‐Catalyzed Asymmetric Synthesis of Functionalized Succinimides from Enals and α‐Ketoamides

The efficient asymmetric synthesis of highly substituted succinimides from α,β‐unsaturated aldehydes and α‐ketoamides via NHC‐catalyzed [3+2] cycloaddition has been developed. The new scalable protocol significantly expands the utility of NHC catalysis for the synthesis of heterocycles and provides easy access to assemble a wide range of succinimides from simple starting materials.     

分子动力学模拟研究[Bmim][PF6]+水+醇三元体系的微观结构和分子间相互作用

研究离子液体体系的微观结构和分子间相互作用具有重要意义. 本文对1-丁基-3-甲基咪唑六氟磷酸盐([Bmim][PF₆])+水+乙醇和[Bmim][PF₆]+水+异丙醇三元体系进行了分子模拟研究, 计算了径向分布函数和不同组成的水-醇混合溶剂与离子液体阴阳离子间的相互作用能, 并将其分解为库仑相互作用能和Lennard-Jones(LJ)势能. 在此基础上, 研究了溶液体系的微观结构、分子间相互作用和相行为. 结果表明, 水倾向于与离子液体阴离子和阳离子极性部分作用, 醇倾向于与阴离子和阳离子非极性部分作用; 库仑力主导阴离子-溶剂相互作用, 色散力主导阳离子-溶剂相互作用, 阴阳离子的缔合状态对色散力影响较小, 对库仑力的影响非常显著.     

An Antibacterial Nonenzymatic Glucose Sensor Composed of Carbon Nanotubes Decorated with Silver Nanoparticles

A glucose sensor composed of silver nanoparticles decorated carbon nanotubes (Ag‐NPs/CNTs) prepared by ion implantation is described. Ag‐NPs with size of 2–4 nm are uniformly distributed in the CNTs after ion implantation. This process provides a strong combination between Ag‐NPs and CNTs and can effectively prevent the Ag‐NPs from aggregation. A linear range of 125 µM to 10 mM towards glucose determination was obtained. The Ag‐NPs/CNTs electrode shows minimal interferences from co‐existence species such as uric acid and ascorbic acid and an antibacterial rate of 94 % towards E. coli.     

各向异性本构关系在板料成形数值模拟中的应用

对几种能表达面内各向异性的屈服准则Hill、Barlat-Lian、Barlat进行了比较。以弹性变形服从各向同性广义虎克定律的情况下，给出了基于张量算法推导的弹塑性本构关系的一般表达式，并由此导出了相应屈服准则的弹塑性本构关系的显式表达。借助ABAQUS软件本构模块用户子程序接口，分别实现了这些屈服准则在ABAQUS的嵌入。以模拟方形盒的拉延过程为例，分析了不同的屈服准则在板料成形过程数值模拟中的应用。模拟结果表明，基于弹塑性本构关系一般表达所列出的相应屈服准则的显式表达式是正确的；在采用壳元来模拟板料成形时，采用Barlat准则的模拟结果和采用Barlat-Lian准则的结果差别不大。     

DIRECT NUMERICAL SIMULATIONS ON THE TURBULENT FLOW PAST A CONFINED CIRCULAR CYLINDER WITH THE INFLUENCE OF THE STREAMWISE MAGNETIC FIELDS1)

绕流是托卡马克装置中液态包层内常见的流动形态,对流场与热量分布有着重要的影响.本文通过直接数值模拟(DNS),研究了不同磁场强度下$Re=3900$的圆柱绕流,分析了磁场强度对于湍流尾迹的影响.无磁场情况下,直接数值模拟的结果与前人的实验及模拟结果吻合很好.圆柱下游的尾迹中,随着流向距离的增大, 流向速度剖面逐渐从U型进化呈V型, 并慢慢趋于平缓,这表明尾迹中的流动结构受圆柱影响逐渐减小.圆柱后方两侧的剪切层中,由于Kelvin-Helmholtz不稳定性的影响,可以清晰地看到小尺度剪切层涡的脱落.通过对无磁场的计算结果施加流向磁场,本文计算了哈特曼数($Ha$)分别为20, 40和80的工况,以研究磁场效应对于湍流的影响.结果表明磁场较弱时,流动依然呈三维湍流状态.随着磁场增强, 近圆柱尾流区受磁场抑制明显,回流区被拉长,剪切层失稳位置向下游转移.圆柱后方的涡结构由于受到竖直方向洛伦兹力的挤压作用,随着哈特曼数的增加尾迹区域逐渐变窄.相比于无磁场情况的涡结构,由于磁场的耗散作用,相应的涡结构尺度变小.该研究不仅扩展了现有磁场下湍流运动的参数范围,对于液态包层的设计及安全运行同样具有重要的理论指导意义和工程应用价值.     

本征正交分解技术在屋盖风压场重建与预测中的应用

给出利用本征正交分解(POD)对屋盖风压场进行重建和预测的研究结果.对一个双坡屋盖用同步多点压力扫描系统进行了风洞试验,根据POD技术采用前若干阶本征模态重建屋盖风压场.采用两种方案预测未布置测压点位置的风压时间序列.第一种方案中利用插值技术获得没有测压点位置的本征模态值.第二种方案对参考屋盖和需预测的新屋盖分别进行试验,结合由参考屋盖试验萃取的本征模态和由新屋盖试验的风压数据计算的主坐标,预测出新屋盖未知区域的风压时间序列.文中对风压场重建和预测的效果作了分析,而且比较了根据测量的风压数据和预测的风压数据所计算的屋盖风致响应.     

晶体位错尺寸效应的多尺度分析

本文采用准连续介质多尺度方法，分析了面心立方（fcc）晶体铝阶梯孪晶界在不同尺寸情况下（试件尺寸长高比从1：1到8：1）受剪切作用的晶界变形。了解在不同尺寸下，晶界结构位错的成核过程，得到了大试件比值与小试件比值下作用力与应变的关系曲线及不同试件尺寸下应变能的变化曲线。其中随着试件比值的增加，作用力在应变比较小的时候变化情况相似，但当应变达到3％以后，呈现出明显的不同；应变能随试件长高比的增大而减小，各个试件在各自不同的加载阶段，应变能变化趋势同作用力变化趋势相一致。本计算揭示了不同尺寸下阶梯孪晶界在剪切作用下的微观机理，证实其尺寸效应性质。     

Ⅰ—Ⅲ混合型裂纹相变增韧分析

本文采用压力敏感准则和权函数法对相变增韧陶瓷Ⅰ－Ⅲ混合型裂纹的增韧效应进行了理论预测。分别给出了静止裂纹和定长扩展裂纹相变塑性屏蔽的理论表达式，结果表明：相变对静止裂纹有负屏蔽效应，并随ＫⅢ／ＫⅠ比值的增大而趋于零，对扩展裂纹的增韧结果除与材料的弹性模量，相变尾区高度和相变体积分数有关外，还与ＫⅢ／ＫⅠ的比值有关。     

向量值空间中的几何酉元

研究向量值空间中的几何酉元.通过数值指标理论刻画向量值空间C(Ω,X),L_∞(μ,X)和L(l_1(Γ),X)中几何酉元的特征,其中X是Banach空间,Ω是紧Hausdorff空间,μ是σ有限测度以及Γ是非空指标集.同时,描述了Banach空间的内射张量积和投射张量积中几何酉元的特征.     

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??Recurrent event data usually occur in long-term studies which concern
recurrence rates of the disease. In studies of medical sciences, patients who have infected
with the disease, like cancer, were conventionally regarded as impossible to be cured. However,
with the development of medical sciences, recently those patients were found to be possibly
recovered from the disease. The recurrence rate of the events, which is of primary interest,
may be affected by the cure rate that may exist. Therefore, we proposed semiparametric
statistical analysis for recurrent event data with subjects possibly being cured. In our
approach, we present a proportional rate model for recurrence rate with the cure rate adjusted
through a Logistic regression model, and develop some estimating equations for estimation of
the regression parameters, with their large sample properties, including consistency and
asymptotic normality established. Numerical studies under different settings were conducted
for assessing the proposed methodology and the results suggest that they work well for
practical situations. The approach is applied to a bladder cancer dataset which motivated our
study.