微纳层叠聚丙烯腈凝胶流动特性的数值模拟研究

建立了层叠流道的三维模型和有限元网格模型，根据流变测试数据，采用Polymat对物料的黏度模型参数进行拟合，并利用Polyflow软件对聚丙烯腈（PAN）凝胶在层叠流道内的三维等温流动过程进行了数值模拟分析。研究发现，当入口流量增大时，层叠流道出口速度的不均匀性增加；沿流动方向流道内压力逐渐降低，并在出口处降低至同一最低值；流道进出口压力差与入口流量大小具有正相关性；在流道的中心截面上剪切速率分布均匀，波动较小。     

A novel ceramic matrix composite based on YNbO4–TiO2 for microwave applications

This work presents the dielectric properties of YNbO₄ (YNO)–TiO₂ composites in the microwave range. X-ray diffraction analysis demonstrates that the addition of TiO₂ to YNO results in the formation of a Y(Nb_0.5Ti_0.5)₂O₆ phase. In the microwave range, the values of permittivity and dielectric loss did not present major changes with the increment of TiO₂. Moreover, the addition of TiO₂ results in an improvement in the thermal stability of YNO, with YNO63 demonstrating a resonant frequency of ?8.96 ppm.°C^?1. We utilised numerical simulations to evaluate the behaviour of these materials as dielectric resonator antennae and it is found that they exhibit a reflection coefficient below ?10 dB at the resonant frequency, with a realised gain of 4.94 – 5.76 dBi, a bandwidth of 665–1050 MHz and a radiation efficiency above 84%. Our results indicate that YNO–TiO₂ composites are interesting candidates for microwave operating devices.     

Magnetic properties and magnetoresistance effect of SnFe2O4 spinel nanoparticles: Experimental,ab initio and Monte Carlo simulation

In this contribution, SnFe₂O₄ nanoparticles were prepared by the solvothermal method, the structural properties were performed using X-Ray Diffraction (DRX) to prove the success of tin ferrite formation and to determine de crystals parameters. The size and morphological study were build using Scanning Electron Microscopy (SEM) and Transmission Electron microscopy (TEM), the results showed that the size of particles is uniform with a range of particles (5–7 nm). The magnetic properties were carried out using the SQUID device, the SnFe2O4 nanoparticles have a magnetic transition at 750 K. In addition, the hysteresis loops at low temperature displayed Ms and Mr equals to 23 emu/g and 6 emu/g, respectively. The magnetoresistance properties were investigated, the SnFe₂O₄ nanoparticles present a large magnetoresistance effect (80%). The experimental results are supplemented by model calculations utilizing density functional theory and Monte-Carlo simulations.     

多模态影像学检查在诊断早期强直性脊柱炎骶髂关节疾病中的效果

目的:探究在早期强直性脊柱炎骶髂关节疾病诊断中不同放射影像学检查方法的应用效果。方法:抽取2018年5月-2020年1月本院收治的早期强直性脊柱炎骶髂关节疾病患者65例作为研究对象,所有患者均开展X线、CT、MRI影像学检查,对比三种不同影像学检查方法的检出率、影像学特征。结果:X线、CT、MRI检出率分别为38.46%(25/65)、60.00%(39/65)、76.92%(50/65),检出率相比,MRI、CT明显高于X线,P<0.05;X线、CT、MRI影像学特征,发现关节间隙出现不同的异常,如关节面出现侵蚀、骨质囊变现象,关节面下骨质出现硬化与关节软骨出现肿胀,其中MRI、CT检查,阳性率高于X线,P<0.05。而对于软组织肿胀、骨髓水肿、滑膜炎症、关节滑膜增厚等现象,只能通过MRI检查才能诊断。结论:在早期强直性脊柱炎骶髂关节疾病诊断中,X线、CT、MRI影像学检查均具有一定的指导意义,而MRI不仅可以提高检出率,还能准确反映微小病灶及其软组织病变,对于早期发现骶髂关节炎值得推荐。     

一种磁控管用扼流线圈仿真设计

采用电路仿真软件仿真滤波组件S参数曲线,观察曲线随器件参数的变化;介绍利用三维全波电磁仿真软件HFSS简化设计流程的方法,并与测试结果对比。结果表明:利用3D仿真软件在满足器件设计精度的同时可以简化线圈的设计流程。     

Inconel 690传热管GTAW对接焊接头组织及力学性能研究

对Inconel 690传热管材进行钨极气体保护焊(GTAW)对接焊,采用拉伸试验机、压扁试验机和光学显微镜测试和分析传热管焊接接头,同时利用ANSYS软件开展焊接接头在设计工况失压时的一次应力强度校核。研究结果表明:焊缝中心为树枝胞状晶,熔合线附近为粗大柱状晶。室温时接头的平均抗拉强度为619 MPa,平均屈服强度为292 MPa,350℃时接头平均抗拉强度为475 MPa,平均屈服强度为206 MPa,拉伸接头断裂从熔合区开始贯穿整个焊缝组织,呈塑性断裂。压扁试验和反向压扁试验结果表明管接头完好。通过ANSYS分析可知,设计工况下传热管接头350℃许用应力强度150 MPa限值可满足其一次应力强度要求,且裕量较大。     

Molecular fingerprint and machine learning to accelerate design of high-performance homochiral metal–organic frameworks

Computational screening was employed to calculate the enantioseparation capabilities of 45 functionalized homochiral metal–organic frameworks (FHMOFs), and machine learning (ML) and molecular fingerprint (MF) techniques were used to find new FHMOFs with high performance. With increasing temperature, the enantioselectivities for (R,S)-1,3-dimethyl-1,2-propadiene are improved. The “glove effect” in the chiral pockets was proposed to explain the correlations between the steric effect of functional groups and performance of FHMOFs. Moreover, the neighborhood component analysis and RDKit/MACCS MFs show the highest predictive effect on enantioselectivities among the four ML classification algorithms with nine MFs that were tested. Based on the importance of MF, 85 new FHMOFs were designed, and a newly designed FHMOF, NO₂-NHOH-FHMOF, with high similarity to the optimal MFs achieved improved chiral separation performance, with enantioselectivities of 85%. The design principles and new chiral pockets obtained by ML and MFs could facilitate the development of new materials for chiral separation.     

基于GA-BP的汽车风振噪声声品质预测模型

目前对于汽车风振噪声的优化研究主要以声压级（Sound pressure level，SPL）作为单一评价指标，既不能全面反映噪声的物理属性，也无法考虑人耳对噪声的主观认知过程。为准确评价风振噪声，引入声品质，运用大涡模拟（Large eddy simulation，LES）对风振噪声进行数值仿真，根据实车道路试验判断仿真的准确性；对仿真结果进行声品质客观评价与主观评价，综合声品质客观评价参数与声品质主观评价试验结果建立BP神经网络预测模型；利用遗传算法（Genetic algorithm，GA），进一步对BP神经网络的结构参数进行优化，建立GA-BP声品质预测模型。研究结果表明，GA-BP声品质预测模型在训练速度和预测精度上都优于BP神经网络预测模型。预测模型基于声品质主客观评价结果，其预测值可以代替传统的声压级评价指标，为风振噪声提供更为准确合理的评价。     

Preliminary Structural Data Revealed That the SARS-CoV-2 B.1.617 Variant's RBD Binds to ACE2 Receptor Stronger Than the Wild Type to Enhance the Infectivity

The evolution of new SARS-CoV-2 variants around the globe has made the COVID-19 pandemic more worrisome, further pressuring the health care system and immunity. Novel variations that are unique to the receptor-binding motif (RBM) of the receptor-binding domain (RBD) spike glycoprotein, i. e. L452R-E484Q, may play a different role in the B.1.617 (also known as G/452R.V3) variant's pathogenicity and better survival compared to the wild type. Therefore, a thorough analysis is needed to understand the impact of these mutations on binding with host receptor (RBD) and to guide new therapeutics development. In this study, we used structural and biomolecular simulation techniques to explore the impact of specific mutations (L452R-E484Q) in the B.1.617 variant on the binding of RBD to the host receptor ACE2. Our analysis revealed that the B.1.617 variant possesses different dynamic behaviours by altering dynamic-stability, residual flexibility and structural compactness. Moreover, the new variant had altered the bonding network and structural-dynamics properties significantly. MM/GBSA technique was used, which further established the binding differences between the wild type and B.1.617 variant. In conclusion, this study provides a strong impetus to develop novel drugs against the new SARS-CoV-2 variants.