Tuning the Hybridization of Local Exciton and Charge-Transfer States in Highly Efficient Organic Photovoltaic Cells

Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss ( ) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed . Herein, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge-transfer (CT) state ratio in its hybridization with the local exciton state to facilitate charge generation, but simultaneously result in a larger . These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.     

The physical properties of pressure sensitive rubber composites

Nitrile butadiene rubber, NBR, structural foam of different apparent densities was obtained by using different concentrations of foaming agent, azodicarbonamide, ADC/K. The true stress-strain characteristics, in case of compression, of foamed samples after the application of cyclic stress-strain were measured. The effect of the cyclic stress-strain on strain energy density of ADC/K foaming agent-filled NBR rubber composites was studied. The mechanical parameters were found to depend on the foaming agent concentration and on the pre-cyclic fatigue number. Results also indicated that the strain energy decreased with filler concentration.The effects of the cyclic stress-strain on the conductivity of ADC/K foaming agent-filled NBR rubber composites were studied. The electrical properties were found to depend on the foaming agent concentration, the strain amplitude and the number of stress-strain cycles of pre-strain. This study was assisted by the current-voltage characteristics which were measured under the effect of different compression ratios: 0%, 5%, 10%, 15%, 20%, 25% and 30%. The free current carrier mobility and the equilibrium concentration of charge carriers in the conduction band were produced as functions of compressive strain. Results also indicate that there is a linear variation between pressure and conductivity for all samples, which means that these samples can be used as a pressure sensor.     

A class of multiple shrinkage estimators

Based on a sample of size n, we investigate a class of estimators of the mean of a p-variate normal distribution with independent components having unknown covariance. This class includes the James-Stein estimator and Lindley's estimator as special cases and was proposed by Stein. The mean squares error improves on that of the sample mean for p3. Simple approximations imations for this improvement are given for large n or p. Lindley's estimator improves on that of James and Stein if either n is large, and the coefficient of variation of is less than a certain increasing function of p, or if p is large. An adaptive estimator is given which for large samples always performs at least as well as these two estimators.     

Determination of the Thermal Degradation Kinetic Parameters of Carbon Fibre Reinforced Epoxy Using TG

In this work, a kinetic study on the thermal degradation of carbon fibre reinforced epoxy is presented. The degradation is investigated by means of dynamic thermogravimetric analysis (TG) in air and inert atmosphere at heating rates from 0.5 to 20°C min⁻¹ . Curves obtained by TG in air are quite different from those obtained in nitrogen. A three-step loss is observed during dynamic TG in air while mass loss proceeded as a two step process in nitrogen at fast heating rate. To elucidate this difference, a kinetic analysis is carried on. A kinetic model described by the Kissinger method or by the Ozawa method gives the kinetic parameters of the composite decomposition. Apparent activation energy calculated by Kissinger method in oxidative atmosphere for each step is between 40–50 kJ mol⁻¹ upper than E _a calculated in inert atmosphere. The thermo-oxidative degradation illustrated by Ozawa method shows a stable apparent activation energy (E _a ≈130 kJ mol⁻¹ ) even though the thermal degradation in nitrogen flow presents a maximum E _a for 15% mass loss (E _a ≈60 kJ mol⁻¹ ). This revised version was published online in July 2006 with corrections to the Cover Date.     

Quenching of Flame Propagation with Heat Loss

The steady propagation of a planar laminar premixed flame, with a one-step exothermic reaction and linear heat loss, is studied. The corresponding travelling wave equations are solved numerically. The dependence of the flame velocity on the heat loss parameter is determined and compared with known results obtained by asymptotic expansion and other approximations. Due to the introduction of an ignition temperature the problem can be reduced to a bounded interval (of length L) and the graph of flame speed versus heat loss parameter can be parametrised by L. The numerical method is tested in the case of a step function nonlinearity when the exact solution of the differential equations can also be calculated.     

Numerical Study on Entropy Generation of the Multi-Stage Centrifugal Pump

The energy loss of the multi-stage centrifugal pump was investigated by numerical analysis using the entropy generation method with the RNG k-ε turbulence model. Entropy generation due to time-averaged motion and velocity fluctuation was mainly considered. It was found that the entropy generation of guide vanes and impellers account for 71.2% and 23.3% of the total entropy generation under the designed flow condition. The guide vanes are the main hydraulic loss domains and their entropy generation is about 9 W/K, followed by impellers. There are vortices at the tongue of the guide vane inlet as well as flow separations in the impellers, which lead to entropy generation. The fluid impacts the outer surface of the guide vanes, resulting in the increase in entropy generation. There are refluxes near the guide vane tongues which also increase the entropy generation of this part. The entropy generation distribution of the guide vanes and impellers was investigated, which found that the positive guide vane has more entropy generation compared with the reverse guide. The entropy generation of the blade suction surface is higher compared with the pressure surface. This study indicated that the entropy generation method has distinct advantages in the assessment of hydraulic loss.     

Community Detection in Semantic Networks: A Multi-View Approach

The semantic social network is a complex system composed of nodes, links, and documents. Traditional semantic social network community detection algorithms only analyze network data from a single view, and there is no effective representation of semantic features at diverse levels of granularity. This paper proposes a multi-view integration method for community detection in semantic social network. We develop a data feature matrix based on node similarity and extract semantic features from the views of word frequency, keyword, and topic, respectively. To maximize the mutual information of each view, we use the robustness of L21-norm and F-norm to construct an adaptive loss function. On this foundation, we construct an optimization expression to generate the unified graph matrix and output the community structure with multiple views. Experiments on real social networks and benchmark datasets reveal that in semantic information analysis, multi-view is considerably better than single-view, and the performance of multi-view community detection outperforms traditional methods and multi-view clustering algorithms.     

基于数字地图的二维电波传播问题仿真

为快速预测二维地理环境下的电磁环境特性,应用二维抛物方程模型对电磁环境进行仿真。为了得到真实有效的地形数据,研究了从GeoTiff中抽取网格点上地理信息的方法,并利用双线性插值法计算了任意位置处的高程值。同时研究了地球表面两点之间计算距离的方法,将该方法的计算结果与GIS软件结果进行对比,验证了该方法的可靠性。在标准大气环境下,利用二维抛物方程模型仿真分析了不同距离处不同高度的电波传播传播因子的变化情况,为预测真实地理环境中的电波传播特性提供了一种有效的方法。     

环形HYLTE喷管耦合段及光腔区流场的数值模拟

参考传热学相关理论,估算燃烧室的传热损耗分数及相应的平衡温度,确定了主喷管的入口参数设置。在此基础上,对环形HYLTE喷管的耦合段及光腔区流场进行3维的数值模拟,给出了F原子质量分数、静温、静压的空间分布,得到了光腔区各支谱线的小信号增益系数变化曲线。将计算结果与实验结果进行比对,光谱测量结果及移动光轴实验证实了计算模型的合理性。