镍催化α,β-不饱和醛的选择性α,β-双芳基化反应

三组分双官能化反应是一种高效、简便构建C―C键、C―X键的方式. 双键广泛存在于众多有机化合物中, 对双键的双官能化反应研究有巨大的应用潜力. 本工作以Ni(COD)₂为催化剂, 以芳基溴化镁、芳基溴化物为芳基化试剂, 实现了3-芳基-2-丙烯醛亚胺中碳碳双键的双芳基化反应. 该反应建立了一个新的镍催化α,β-不饱和醛的α,β-双芳基化方法, 可以高度区域选择性地向底物分子中引入两个不同取代的芳环, 得到多种2,3,3-三芳基丙醛骨架的产物. 利用这一反应作为核心步骤实现了天然产物Quebecol的简便合成. 机理研究表明, 该反应可能经历了亲核加成、金属交换、还原消除的历程.     

大孔高镍LiNi0.8Co0.1Mn0.1O2正极材料的制备及其电化学性能研究

本工作以聚甲基丙烯酸甲酯(PMMA)微球组装成的胶晶模板作为铸模, 溶胶-凝胶法辅助获得大孔LiNi_0.8Co_0.1Mn_0.1O₂ (NCM811)正极材料. 结果表明, 利用PMMA作为造孔剂, 形成了由100 nm的颗粒堆积而成的大孔结构, 这种结构有效地提高了材料的倍率性能和循环稳定性. 大孔NCM811在0.1C的首次放电比容量为190.3 mAh∙g^-1. 2C倍率下NCM811纳米颗粒的放电比容量仅为129.3 mAh∙g^-1, 而大孔NCM811的放电比容量为149.8 mAh∙g^-1. 0.5C倍率下循环400次后大孔NCM811的容量保持率为83.02%, 明显高于纳米颗粒材料的38.59%.     

Al2O3/PDMS复合材料热传导的分子动力学模拟

采用分子动力学模拟方法研究了Al₂O₃/聚甲基二硅氧烷(PDMS)复合材料在300 K时的传热行为, 通过分析热传导、温度梯度以及导热增强等理论数据, 讨论了不同半径以及不同浓度的Al₂O₃填料粒子对PDMS传热的影响. 结果表明随着体积分数的增大, Al₂O₃/PDMS复合材料的热传导先减小后增加. 并且当Al₂O₃填充粒子的半径为5 nm时, Al₂O₃/PDMS复合材料的热传导达到最大值. 通过考察传热过程中的Al₂O₃填料和Al₂O₃/PDMS复合材料的温度和结构变化, 添加有小半径Al₂O₃填料的Al₂O₃/PDMS复合材料在传热的过程中主要以声子的形式进行传热, 此时决定热导率的主要因素有热容c、声子的平均速度v和声子的平均自由程l. 同时, 当体积分数为15%时, 传导链形成, 热量可以顺利通过Al₂O₃填料形成的传导链传播, 有助于热传导的增加.     

Companionability characterization for the expansion of an o-minimal theory by a dense subgroup

This paper provides a full characterization for when the expansion of a complete o-minimal theory, one that extends the theory of ordered divisible abelian groups, by a unary predicate that picks out a divisible, dense and codense group has a model companion. This result is motivated by criteria and questions introduced in the recent works [14] and [10] concerning the existence of model companions, as well as preservation results for some neostability properties when passing to the model companion. Examples are included both in which the predicate is an additive subgroup of a real ordered vector space, and where it is a multiplicative subgroup of the nonzero elements of an o-minimal expansion of a real closed field. The paper concludes with a brief discussion of neostability properties and examples that illustrate the lack of preservation (from the base o-minimal theory to the model companion of the expansion we define) for properties such as strong, NIP, and NTP₂, though there are also examples for which some or all three of those properties are preserved.     

Terminal constrained robust hybrid iterative learning model predictive control for complex time-delayed batch processes

This work mainly addresses terminal constrained robust hybrid iterative learning model predictive control against time delay and uncertainties in a class of complex batch processes with input and output constraints. In this work, an equivalently novel extended two-dimensional switched system is first constructed to represent the process model by introducing state difference, output error and new relaxation variable information. Then, a hybrid predictive updating controller is proposed and an optimal performance index function including terminal constraints is designed. Under the condition that the switching signal meets certain conditions, the solvable problem of model predictive control is realized by Lyapunov stability theory. Meanwhile, the design scheme of controller parameters is also given. In addition, the robust constraint set is adopted to overcome the disadvantage that the traditional asymptotic stability cannot converge to the origin when it involves disturbances, such that the system state converges to the constraint set and meets its expected value. Finally, the effectiveness of the proposed algorithm is verified by controlling the speed and pressure parameters of the injection molding process.     

Effect of Intercalated LiF on Interface Contact Characteristics of MoS2 Field Effect Transistor: A First-Principles Study

Based on the first-principles calculation, the effect of intercalated LiF on the contact characteristics of the interface between Au electrode and MoS₂ layer is studied. It is found that adding LiF film can change the contact type between metal electrode Au and MoS₂ layer from Schottky contact to ohmic contact, which is accompanied by interfacial charge transfer from LiF layer to MoS₂ layer and the downward movement of d (d_xy and d_z2) orbital of Mo atom and p (p_x and p_y) orbital of S atom to Fermi level. And the interlayer spacing between LiF layer and Au electrode has a great impact on the interface contact characteristics. The electric field effect and stress effect of interface contact of Au, LiF and MoS₂ (Au/LiF/MoS₂)is more obvious than that of interface contact of Au and MoS₂ (Au/MoS₂). Au/LiF/MoS₂ shows ohmic contact with the interlayer spacing between Au layer and LiF layer less than 3.05 Å and with the electric field less than 0.15 VÅ⁻¹, respectively, while Au/MoS₂ still shows N-type Schottky contact. These findings are helpful to control the contact resistance and have guiding significance for high performance MoS₂ field effect transistor and other electronic components.     

HL-2M装置低杂波钛泵电流监测器的研制

选用Arduino nano开源硬件平台、OLED图形显示器和SD卡等器件,研制了钛泵电流监测器,实现了在非实验期间钛泵电流长期低速采集、存储和趋势图显示功能。同时启用内部中断和外部中断,提升采样频率到1k Hz,拓展了监测器的应用范围。测试结果表明,监测器趋势图与测试信号一致,最大采集误差为0.25μA。     

不同载荷及转速条件下MoS2涂层的摩擦磨损性能研究

为获得二硫化钼(MoS₂)涂层在聚变堆部件表面使用条件下的摩擦磨损特性,采用单极性脉冲磁控溅射技术在铁铬镍基高温合金A286上制备了厚度为2μm的MoS₂涂层,并针对MoS₂涂层在不同载荷及转速条件下的摩擦学性能展开了研究。经验证,沉积的MoS₂涂层结晶度较好,沿(002)面择优取向;随测试转速的增加,摩擦系数逐渐减小,在转速为50r·min^-1时,摩擦系数平均值为0.0722;在转速固定时,摩擦系数随测试载荷的增加先减小后增大,当载荷为7N时达到最小平均值0.0763。     

基于第一性原理计算Mn掺杂MoS2对油中溶解气体的吸附性能

CO、C₂H₂、CH₄是溶解在变压器油中的典型故障特征气体,其种类和浓度能够反映油浸式变压器绝缘故障的不同类型和严重程度,进行油中溶解气体分析是在线检测变压器运行状态的重要方法.基于第一性原理,通过Mn-MoS₂单层对三种气体的吸附能、转移电荷、态密度和形变电荷密度等参数以及解吸性能分析和灵敏度计算,提出了一种基于Mn-MoS₂材料的气敏传感器对油中溶解气体进行分析的方法.结果表明Mn-MoS₂对CH₄是物理吸附,对CO和C₂H₂是化学吸附.对于Mn-MoS₂来说,CH₄在常温下吸附能力差且灵敏度低,CO在不同温度下均有较强的吸附能力,而C₂H₂在常温下吸附稳定,高温下易解吸且响应灵敏度高.因此,Mn掺杂的MoS₂体系可预期作为CO的气体吸附剂和检测C₂H     

BeF2分子基态势能函数研究

利用密度泛函理论（DFT）B3LYP/aug-cc-PVTZ方法对BeF和BeF2分子进行计算, BeF分子的基态电子态为X2Σ+,平衡核间距Re=0.1367 nm,BeF2分子最稳定构型为D∞h构型,基态电子态为X1Σg+,离解能De=13.4 eV。利用最小二乘法拟合了BeF分子基态的Murrell-Sorbie势能函数,并得到其光谱数据与力常数。结合全局多体项展式方法,导出了基态BeF2分子基态势能函数的解析表达式,该函数准确反映了BeF2分子的结构以及静态反应特征,这些结果为进一步探索BeF2的微观分子反应动力学提供了基础。