Bulk heterojunction photovoltaic cells based on tetra-methyl substituted copper(II) phthalocyanine:P3HT:PCBM composite

Insoluble CuMePc nanocrystals were incorporated into P3HT:PCBM bulk heterojunction photovoltaic cells to increase the carrier mobility and photon harvesting. The P1C1-based (weight ratio of P3HT:?CuMePc = 1:1) OPV cell exhibited the best photovoltaic performance with a J(SC) of 16.3 mA cm(-2), V(OC) of 0.58 V, FF of 0.56 and PCE of 5.3%.     

基于字典学习的77GHz雷达人体动作识别

基于视觉的人体动作识别方法对光线和视距环境较高,并且存在侵犯隐私的问题,在应用中有局限性。为了解决这个问题,提出一种基于毫米波雷达和字典学习的人体动作识别方法。首先对人体动作的雷达回波信号进行时频分析得到时频图,再使用两种特征提取方法对时频图进行降维描述,将两种降维后的数据融合,通过LC-KSVD字典学习算法同时学习多特征字典和一个线性分类器,最后根据稀疏系数和线性分类器来识别动作。在此基础上,设计77 GHz毫米波雷达动作识别实验系统,结果表明:算法在10种人体动作数据集上达到了97.7%的识别准确率,可见所提方法实现了对人体动作的准确识别。     

Hydrodynamic and mass transfer characteristics of slug flow in a vertical pipe with and without dispersed small bubbles

In this work, we present a numerical study to investigate the hydrodynamic characteristics of slug flow and the mechanism of slug flow induced CO₂ corrosion with and without dispersed small bubbles. The simulations are performed using the coupled model put forward by the authors in previous paper, which can deal with the multiphase flow with the gas–liquid interfaces of different length scales. A quasi slug flow, where two hypotheses are imposed, is built to approximate real slug flow. In the region ahead of the Taylor bubble and the liquid film region, the presence of dispersed small bubbles has less impacts on velocity field, because there are no non-regular intensive disturbance forces or centrifugal forces breaking the balance of the liquid and the dispersed small bubbles. In the liquid slug region, the strong centrifugal forces generated by the recirculation below the Taylor bubble lead to the effect of heterogeneity, which makes the profile of the radial liquid velocity component sharper with higher volume fraction of dispersed small bubbles. The volume fraction has a maximum value in the range of r/R = 0.5–0.6. Meanwhile, it is usually higher than 0.35, which means that larger dispersed bubbles can be formed by coalescences in this region. These calculated results are in good agreement with experimental results. The wall shear stress and the mass transfer coefficient with dispersed small bubbles are higher than those without dispersed small bubbles due to enhanced fluctuations. For short Taylor bubble length, the average mass transfer coefficient is increased when the gas or liquid superficial velocity is increased. However, there may be an inflection point at low mixture superficial velocities. For the slug with dispersed small bubbles, the product scales still cannot be damaged directly despite higher wall shear stress. In fact, the alternate wall shear stress and the pressure fluctuations perpendicular to the pipe wall with high frequency are the main cause for breaking the product scales.     

Imido transfer from bis(imido)ruthenium(VI) porphyrins to hydrocarbons: effect of imido substituents, C-H bond dissociation energies, and Ru(VI/V) reduction potentials

[Ru(VI)(TMP)(NSO2R)2] (SO2R = Ms, Ts, Bs, Cs, Ns; R = p-C6H4OMe, p-C6H4Me, C6H5, p-C6H4Cl, p-C6H4NO2, respectively) and [Ru(VI)(Por)(NTs)2] (Por = 2,6-Cl2TPP, F20-TPP) were prepared by the reactions of [Ru(II)(Por)(CO)] with PhI=NSO2R in CH2Cl2. These complexes exhibit reversible Ru(VI/V) couple with E(1/2) = -0.41 to -0.12 V vs Cp2Fe(+/0) and undergo imido transfer reactions with styrenes, norbornene, cis-cyclooctene, indene, ethylbenzenes, cumene, 9,10-dihydroanthracene, xanthene, cyclohexene, toluene, and tetrahydrofuran to afford aziridines or amides in up to 85% yields. The second-order rate constants (k2) of the aziridination/amidation reactions at 298 K were determined to be (2.6 +/- 0.1) x 10(-5) to 14.4 +/- 0.6 dm3 mol(-1) s(-1), which generally increase with increasing Ru(VI/V) reduction potential of the imido complexes and decreasing C-H bond dissociation energy (BDE) of the hydrocarbons. A linear correlation was observed between log k' (k' is the k2 value divided by the number of reactive hydrogens) and BDE and between log k2 and E(1/2)(Ru(VI/V)); the linearity in the former case supports a H-atom abstraction mechanism. The amidation by [Ru(VI)(TMP)(NNs)2] reverses the thermodynamic reactivity order cumene > ethylbenzene/toluene, with k'(tertiary C-H)/k'(secondary C-H) = 0.2 and k'(tertiary C-H)/k'(primary C-H) = 0.8.     

Cobalt(II) Porphyrin‐Catalyzed Intramolecular Cyclopropanation of N‐Alkyl Indoles/Pyrroles with Alkylcarbene: Efficient Synthesis of Polycyclic N‐Heterocycles

A protocol on chemoselective cobalt(II) porphyrin‐catalyzed intramolecular cyclopropanation of N‐alkyl indoles/pyrroles with alkylcarbenes has been developed. The reaction enables the rapid construction of a range of nitrogen‐containing polycyclic compounds in moderate to high yields from readily accessible materials. These N‐containing polycyclic compounds can be converted into a variety of N‐heterocycles with potential synthetic and biological interest. Compared to their N‐tosylhydrazone counterparts, the use of bulky N‐2,4,6‐triisopropylbenzenesulfonyl hydrazones as carbene precursors allows cyclopropanation to occur under milder reaction conditions.     

WC-钢基复合材料断裂韧性与断口形貌特征

采用单边切口梁法（ＳＥＮＢ）测试了１２种工艺状态的ＷＣ增强钢基复合材料的断裂韧性Ｋｃ,并用扫描电镜观察了其断口形貌．试验表明ＳＥＮＢ法对于ＷＣ－钢基合金的断裂韧性测试适用可行,数据稳定．研究发现数量众多（４０％左右）的硬质相对材料的断裂韧性起决定性作用,细化硬质相及加强硬质相－基体交互作用有利于材料断裂韧性的提高．断口的主要特征为ＷＣ解理、基体准解理及部分分散韧窝和韧窝带     

正丁醇-苯固液相平衡及交叉缔合的研究

测制了正丁醇－苯二元系的固液平衡相图,它属简单低共熔混合物类相图．算出体系在２９８．１５Ｋ的摩尔超额吉布斯自由能,其最大值为１１１０Ｊ／ｍｏｌ．用Ｋｒｅｔｓｃｈｍｅｒ－Ｗｉｅｂｅ模型进行处理,得到正丁醇与苯的交叉缔合常数ＫＡＢ,在２９８．１５Ｋ,其值为５５．７．     

Quantum Fisher information width in quantum metrology

In scenarios of quantum metrology, the unitary parametrization process often depends on space directions. How to characterize the sensitivity of parameter estimation to space directions is a natural question. We propose the concept of the quantum Fisher information(QFI) width, which is the difference between the maximum and minimum values of the QFI, to quantitatively study the sensitivity. We find that Fock states, the bosonic coherent states, and the displaced Fock states all have zero widths, indicating that QFI is completely inert over all directions, while the width for the spin state with all spins down or up is equal to the number of particles, so this concept will enable us to choose appropriate directions to make unitary transformation to obtain larger QFI.The QFI width of the displaced quantum states is found to be independent of the magnitude of the displacement for both spin and bosonic systems. We also find some relations between the QFI width and squeezing parameters.     

非平衡等离子体对甲烷——氧扩散火焰影响的实验研究

利用自主设计的等离子喷注器采用介质阻挡放电方式产生非平衡等离子体,首先利用纹影技术、热电偶、单点红外测温等多种诊断方法实验研究了纯氧放电等离子体的电学特性、热效应及气动效应,然后通过可见光和化学自发辐射成像技术获得了火焰形态及特征参数,详细分析了等离子体对甲烷--纯氧扩散火焰形态和释热的影响,并计算了放电功率及费效比. 结果表明, 燃烧导致放电电流显著增大,其中电压幅值与氧气流速对放电电流大小的影响规律正好相反;与空气等离子体相比, 相同流量与电压条件下氧等离子体放电功率较高,但其发光强度明显较弱; 氧等离子体热效应微弱, 对燃烧的影响可以忽略,放电反应中释热过程主要由含氧组分决定;放电产生了具有3个速度分量的诱导射流, 增大了氧射流角,且电压越大越显著.等离子体主要通过气动效应改变了燃料与氧化剂的掺混,使得一定条件下火焰变得更稳定、释热更强.在所研究的范围内等离子体作用的费效比最低仅为2.2％,大流量、小混合比更有利.      

Ab initio Study of Mechanism of Forming Germanic Hetero-Polycyclic Compound between Germylene Carbene (H2Ge=C: ) and Formaldehyde

The mechanism of the cycloaddition reaction of forming germanic hetero‐polycyclic compound between singlet germylene carbene and formaldehyde has been investigated with MP2/6‐31G* method, including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface. The energies of the different conformations are calculated by CCSD (T)//MP2/6‐31G* method. From the potential energy profile, we predict that the cycloaddition reaction of forming germanic hetero‐polycyclic compound between singlet germylene carbene and formaldehyde has two competitive dominant reaction pathways. First dominant reaction pathway consists of four steps: (1) the two reactants (R1, R2) first form an intermediate (INT1) through a barrier‐free exothermic reaction of 117.5 kJ/mol; (2) intermediate (INT1) then isomerizes to a four‐membered ring compound (P2) via a transition state (TS2) with an energy barrier of 25.4 kJ/mol; (3) four‐membered ring compound (P2) further reacts with formaldehyde (R2) to form an intermediate (INT3), which is also a barrier‐free exothermic reaction of 19.6 kJ/mol; (4) intermediate (INT3) isomerizes to a germanic bis‐heterocyclic product (P3) via a transition state (TS3) with an energy barrier of 5.8 kJ/mol. Second dominant reaction pathway is as follows: (1) the two reactants (R1, R2) first form an intermediate (INT4) through a barrier‐free exothermic reaction of 197.3 kJ/mol; (2) intermediate (INT4) further reacts with formaldehyde (R2) to form an intermediate (INT5), which is also a barrier‐free exothermic reaction of 141.3 kJ/mol; (3) intermediate (INT5) then isomerizes to a germanic bis‐heterocyclic product (P5) via a transition state (TS5) with an energy barrier of 36.7 kJ/mol.