对流扩散方程的QC3无网格法

对流扩散方程作为偏微分运动方程的分支,在流体力学、气体动力学等领域有着重要应用.为解决对流扩散方程难以通过解析法得到解析解的难题,采用二阶一致3点积分(Quadratically Consistent 3-Point Integration,简称QC3)提高无网格法的计算效率,通过对积分点上形函数导数的修正,改善无网格法的精度和收敛性.本文将QC3无网格法拓展到对流扩散方程问题中,时域离散采用广义特征线Galerkin法,空间离散采用QC3法.数值结果表明,应用QC3无网格法得到的对流扩散问题数值解与解析解十分接近,验证了QC3无网格法解决对流扩散问题的可行性.     

基于联合神经网络学习的中文电力计量命名实体识别

随着电力计量业务的不断扩展，迫切需要由业务信息、技术知识、行业标准及其内在联系所组成的电力计量知识图谱，为电网的决策和发展提供更为全面有效的支持。命名实体识别是构建知识图谱的基础。针对电力计量领域需要，结合中文分词技术特点，基于联合学习思想，提出了一种基于联合学习的中文电力计量命名实体识别技术。该技术联合CNN-BLSTM-CRF模型与整合词典知识的分词模型，使其共享实体类别和置信度；同时将2个模型的先后计算顺序改为并行计算，减少了识别误差累积。结果表明，在不需要人工构建特征的情况下，方法的正确率、召回率、F值等均显著优于以往方法。     

Chemical Composition and Antifungal Activity of Essential Oil from the Roots of Tinomiscium petiolare

Chemistry of Natural Compounds -     

Injectable Micromotor@Hydrogel System for Antibacterial Therapy

The drug delivery system based on nano/micromotors has become a research hot spot in recent years. However, naked micromotors may be ruptured or passivated under the complex biological environment, which will result in the leakage of drugs in advance or limited self-propulsion performance. Herein, an injectable micromotor@hydrogel drug delivery system to protect micromotors from the external environment is proposed. The micromotors were prepared through layer-by-layer assembly technology. The asymmetric decomposition of hydrogen peroxide catalyzed by the locally distributed platinum nanoparticles enabled efficient propulsion of the micromotors in low concentration of hydrogen peroxide. In order to protect micromotors, they were loaded into the Schiff base hydrogel. The micromotor@hydrogel system can be injected directly into the lesion to release micromotors in response to the environment, reducing external influence on micromotors and improving the sustained-release effect. Erythromycin (Ery) loaded into the micromotors and the micromotor@hydrogel system demonstrated excellent antibacterial effect. Micromotors released from the hydrogel underwent enhanced diffusion in the surroundings of bacteria without addition of exogenous hydrogen peroxide, which was manifested by their appearance in edge of the inhibition zone. The proposed micromotor@hydrogel drug delivery system offers a new strategy for the treatment of bacterial infections.     

Bicomponent Cocatalyst Decoration on Flux-assisted CaTaO2N Single Crystals for Photocatalytic CO2 Reduction under Visible Light

Cubic-like CaTaO₂N photocatalysts with high crystallinity and uniform particle size were successfully prepared by the flux-assisted nitridation method. The growth of CaTaO₂N single crystals under different synthesis conditions was systematically investigated to understand the effects of the crystallinity and optical property on photocatalytic performance of CO₂ reduction. Moreover, the modification of CaTaO₂N single crystals with core-shell Ni−Ag bicomponent cocatalyst by two-step decoration process gave a 2.4 times higher amount of CO evolution than the deposition of sole Ag cocatalyst, because of the synergistic effects of bicomponent cocatalyst on the interfacial electron transfer and surface catalytic process. This study provides a valuable way to construct high-crystalline photocatalysts with effective bicomponent cocatalyst for visible-light-driven CO₂ reduction with H₂O.     

Highly insulating alkane rings with destructive σ-interference

Science China Chemistry - Destructive quantum interference (DQI) provides a unique approach to controlling the leakage current in the OFF state of molecular devices. However, the DQI in...     

金刚石衬底上GaN HEMT沟道温度建模:各向异性且非均匀热导率的影响

为了改善GaN HEMT的自热效应,集成高热导率的金刚石衬底有助于增强器件有源区的热量耗散。然而,化学气相淀积(CVD)生长的多晶金刚石(PCD)具有柱状晶粒结构,导致了各向异性的材料热导率,且其热导率值与生长厚度有关。为此,通过建模金刚石生长过程中晶粒尺寸的演变过程,计算了金刚石沿面内和截面方向的热导率。基于该PCD热导率模型,利用计入材料非线性热导率的GaN器件热阻解析模型,计算得到了GaN HEMT沟道温度的波动范围,并分析了其与器件结构(栅长、栅宽、栅间距、衬底厚度)和功耗的依赖关系。最后,通过与有限元(FEM)仿真结果对比,分区域提取了GaN HEMT器件中PCD衬底的有效热导率,分别为260~310 W/(m·K)和1 250~1 450 W/(m·K)。本文的计算为预测金刚石衬底上GaN HEMT器件的沟道温度提供了快速、有效的方法。     

从知识传授到育人:高职“生活中的化学”教学实践*

深挖高职院校公选课“生活中的化学”的育人元素,精心设计教学内容,运用课堂主题辩论、趣味生活实验的设计与展示、探秘生活中的化学等理论知识传授与课内外实践相结合的教学方式,实现全过程育人,充分展现了公选课在立德树人方面的价值。