固体颗粒对半球扰动尾迹影响的实验研究

采用粒子图像测速技术(particle image velocimetry, PIV)研究固体颗粒对放置在平板层流边界层中半球粗糙元尾迹的影响. 实验采集了清水和加入粒径为140 $\mu$m, 220 $\mu$m, 350$\mu$m聚苯乙烯固体颗粒4种工况下二维速度场信息, 基于半球半径的雷诺数为994 ($Re_R=RU/\upsilon$), 固体颗粒的体积浓度为$3.0\times10^{-5}$. 对比清水和两相工况下的平均速度剖面、湍流强度等宏观统计量, 分析固体颗粒对半球尾迹流动宏观特性的影响. 分别利用沿流向不同位置的流向脉动速度的二维空间相关系数和法向脉动速度的功率谱密度函数分析颗粒对尾迹结构演化过程及尾迹结构脱落频率的影响. 结果发现: 与清水相比, 回流区随颗粒粒径增大而逐渐增大; 颗粒使湍流强度增大, 回流区的存在导致在半球后流向位置$2R$前后区域湍流强度呈现不同变化趋势; 颗粒使尾迹结构的流向尺度减小并且随着颗粒粒径的增大先减小后增大; 在尾迹结构运动过程中颗粒的存在促进了尾迹结构的周期性加速和减速运动, 促进作用随着颗粒粒径的增大先增强后减弱; 颗粒的存在促进了尾迹结构的脱落, 脱落频率随颗粒粒径的增大先增大后减小.      

SMM Behaviour of the Butterfly {CrIII2DyIII2} Pivalate Complex and Magneto-structurally Correlated Relaxation Thermal Barrier

We are reporting the synthesis, single-crystal X-ray structure characterization, and magnetic property investigations of the pivalate butterfly {Cr^III₂Ln^III₂} complexes with Ln= Gd and Dy and the isostructural Y(III) sample. We found an anti-ferromagnetic Cr(III)-Ln(III) exchange interaction, which, as previously observed in related Cr(III)/Ln(III) systems, plays a key role in suppressing quantum tunnelling of magnetization and enhances the SMM performance in the Dy(III) complex. In fact, a pure Orbach relaxation mechanism, with absence of QT regime, is observed with a thermal barrier of 50 cm⁻¹, leading to magnetization hysteresis opening, measured with a commercial magnetometer, up to 3.6 K with a coercive field of 2.9 T. Analysis of SMM behaviour in literature-known butterfly {Cr^III₂Dy^III₂} complexes, reveals the existence of a magneto-structural correlation between U_eff, the thermal barrier size, and the mean Cr−Dy bond distances. Moreover, a clear correlation is found for the thermal barrier magnitude and the maximum temperature hysteresis opening and coercive field.     

Kinetics of Photoinduced Reactions at the Single-Molecule Level: The KACB Method

The kinetics of photoinduced reactions can be approached by laser flash photolysis techniques. Although such techniques allow for a detailed understanding of the important photophysics of molecules, they normally require a substantial amount of sample for measurements (>1 nmol), and thus, they are difficult to apply to analytical and diagnostic applications. The photophysics of a fluorescent molecule can be accessed by monitoring the kinetics of the fluctuation of fluorescence, which is called blinking. Blinking is a phenomenon that can be monitored only if molecules are observed at the single-molecule level. In bulk solution, blinking kinetics can be measured by using fluorescence correlation spectroscopy (FCS), which normally requires more than 10⁵ times less sample than that required for laser flash photolysis. Blinking is controlled to extract fruitful microenvironmental information around a fluorescent molecule, by using a method named kinetic analysis based on the control of fluorescence blinking (KACB). This Concept highlights the adaption of the KACB method to investigate the local conformation of DNA with less than 1 pmol of DNA sample.     

DVC analysis of a polymer material subjected to tensile loading with synchrotron radiation tomography

Subsurface deformation behavior of a polymeric material is studied through the digital volume correlation (DVC) technique. Fundamental principles of the DVC technique are presented and the supplemental state-of-the-art algorithmic schemes to improve the efficiency and accuracy of the DVC analysis are also introduced. Tensile tests on an epoxy material are performed in conjunction with synchrotron radiation tomography. In order to create randomly distributed grayscale values in the tomograms for the following image analysis, microscale high-density particles are embedded when the epoxy specimens are fabricated. 3D tomographic images taken at multiple loading steps are utilized for the DVC analysis. The performance of the present DVC analysis is evaluated with the experimental data.     

纺织品摩擦时的听觉风格评价的初步研究

为评价不同组织织物的摩擦听觉风格,建立了以刺耳度(C)、顺滑度(S)、响度(L)、沉闷度(D)、喜好度(B)和拟声词描述(O)的主观评价指标。采用语意评定法(SD法)将听觉风格指标各分为5级,并通过对随机抽取的21名合格纺织专业学生进行问卷调查与测试。研究结果表明：在纱线原料、线密度、经密等相同的情况下,织物摩擦听觉风格指标刺耳度(C)与响度(L)成正相关关系,而刺耳度(C)则分别与顺滑度(S)或者喜好度(B)之间存在着一定的负相关关系。听者对于织物摩擦声音的判别,女性的敏锐度明显高于男性。此外,平纹的刺耳度(C)、响度(L)和沉闷度(D)最高,而缎纹的顺滑度(S)和喜好度(B)最高。     

基于同步辐射原位CT的聚氨酯泡沫微观变形机理研究

为揭示聚氨酯泡沫的微观结构性能关系,本文依靠自主研发的微型材料试验机,在美国APS光源2BM线站上搭建了原位CT系统,对闭孔硬质聚氨酯泡沫在准静态压缩加载下的变形损伤行为进行了三维实时表征,分辨率可达0.87μm。通过原位CT试验获取了硬质聚氨酯泡沫的应力应变关系,以及三个变形阶段(弹性、平台、压实)的三维结构演化过程。三维图像显示,在平台段会观察到局部压缩带从样品两端向中间传播的过程,且压缩带传播速度会超过压头速度。同时,利用数字体图像相关技术精确计算了聚氨酯泡沫的三维变形场,表明压缩变形主要集中在变形带内部。通过追踪胞元变形过程并利用表面曲率场来量化胞壁变形,发现胞元坍塌主要源于包壁屈曲形成的褶皱。     

Semicovariance Coefficient Analysis of Spike Proteins from SARS-CoV-2 and Other Coronaviruses for Viral Evolution and Characteristics Associated with Fatality

Complex modeling has received significant attention in recent years and is increasingly used to explain statistical phenomena with increasing and decreasing fluctuations, such as the similarity or difference of spike protein charge patterns of coronaviruses. Different from the existing covariance or correlation coefficient methods in traditional integer dimension construction, this study proposes a simplified novel fractional dimension derivation with the exact Excel tool algorithm. It involves the fractional center moment extension to covariance, which results in a complex covariance coefficient that is better than the Pearson correlation coefficient, in the sense that the nonlinearity relationship can be further depicted. The spike protein sequences of coronaviruses were obtained from the GenBank and GISAID databases, including the coronaviruses from pangolin, bat, canine, swine (three variants), feline, tiger, SARS-CoV-1, MERS, and SARS-CoV-2 (including the strains from Wuhan, Beijing, New York, German, and the UK variant B.1.1.7) which were used as the representative examples in this study. By examining the values above and below the average/mean based on the positive and negative charge patterns of the amino acid residues of the spike proteins from coronaviruses, the proposed algorithm provides deep insights into the nonlinear evolving trends of spike proteins for understanding the viral evolution and identifying the protein characteristics associated with viral fatality. The calculation results demonstrate that the complex covariance coefficient analyzed by this algorithm is capable of distinguishing the subtle nonlinear differences in the spike protein charge patterns with reference to Wuhan strain SARS-CoV-2, which the Pearson correlation coefficient may overlook. Our analysis reveals the unique convergent (positive correlative) to divergent (negative correlative) domain center positions of each virus. The convergent or conserved region may be critical to the viral stability or viability; while the divergent region is highly variable between coronaviruses, suggesting high frequency of mutations in this region. The analyses show that the conserved center region of SARS-CoV-1 spike protein is located at amino acid residues 900, but shifted to the amino acid residues 700 in MERS spike protein, and then to amino acid residues 600 in SARS-COV-2 spike protein, indicating the evolution of the coronaviruses. Interestingly, the conserved center region of the spike protein in SARS-COV-2 variant B.1.1.7 shifted back to amino acid residues 700, suggesting this variant is more virulent than the original SARS-COV-2 strain. Another important characteristic our study reveals is that the distance between the divergent mean and the maximal divergent point in each of the viruses (MERS > SARS-CoV-1 > SARS-CoV-2) is proportional to viral fatality rate. This algorithm may help to understand and analyze the evolving trends and critical characteristics of SARS-COV-2 variants, other coronaviral proteins and viruses.     

甲醛和过氧化氢分子振动光谱的路径积分刘维尔动力学模拟

本文采用路径积分刘维尔动力学计算偶极矩时间导数的关联函数来得到红外光谱，通过与真实振动频率相比，发现路径积分刘维尔动力学可以比较忠实地描述振动动力学过程中的核量子效应，能够准确刻画系统温度变化和同位素取代效应引起的振动光谱变化.     

New type Schottky diodes based on the heterostructure of transition metal oxides: p-La2/3Sr1/3VO3/n-TiO2

We make a new type of bipolar Schottky diodes using the p-type La_2/3Sr_1/3VO₃ (LSVO)/n-TiO₂ heterostructure. The p-type LSVO metal thin films are grown on various substrates using radio frequency magnetron co-sputtering deposition. We find that the LSVO film grown on anatase TiO₂ layer produce the lowest resistivity of 0.28 mΩ cm. We discover that the resistivity decreases with decreasing LSVO film thickness for LSVO/TiO₂/Si structures. Hall measurements are performed and the dielectric functions of LSVO films are measured. The effective mass of LSVO/TiO₂/Si is determined to be 2.54 ± 0.05 m₀. The current-voltage curves of the Schottky diodes of p-LSVO/n-TiO₂ is measured and is explained using band alignment diagram. We identify a new type of Schottky diode, where both electrons in n-TiO₂ and holes in p-LSVO can flow under bias.     

The Structures of ZnCl2-Ethanol Mixtures,a Spectroscopic and Quantum Chemical Calculation Study

We report in this article the structural properties, spectral behavior and heterogeneity of ZnCl₂-ethanol (EtOH) mixtures in a wide-composition range (1:3 to 1:14 in molar ratios), using ATR-FTIR spectroscopy and quantum chemical calculations. To improve the resolution of the initial IR spectra, excess spectroscopy and two-dimensional correlation spectroscopy were employed. The transformation process was suggested to be from EtOH trimer and EtOH tetramer to EtOH monomer, EtOH dimer and ZnCl₂-3EtOH complex upon mixing. The theoretical findings showed that increasing the content of EtOH was accompanied with the flow of negative charge to ZnCl₂. This led to reinforcement of the Zn←O coordination bonds, increase of the ionic character of Zn‒Cl bond and weakening and even dissociation of the Zn‒Cl bond. It was found that in some of the ZnCl₂-EtOH complexes optimized at the gas phase or under the solvent effect, there existed hydroxyls with a very special interactive array in the form of Cl‒Zn⁺←O‒H^…Cl⁻, which incredibly red-shifted to wavenumbers <3000 cm⁻¹. This in-depth study shows the physical insights of the respective electrolyte alcoholic solutions, particularly the solvation process of the salt, help to rationalize the reported experimental results, and may shed light on understanding the properties of the deep eutectic solvents formed from ZnCl₂ and an alcohol.