基于非结构化同位网格的SIMPLE算法

通过基于非结构化网格的有限体积法对二维稳态Navier—Stokes方程进行了数值求解。其中对流项采用延迟修正的二阶格式进行离散；扩散项的离散采用二阶中心差分格式；对于压力-速度耦合利用SIMPLE算法进行处理；计算节点的布置采用同位网格技术，界面流速通过动量插值确定。本文对方腔驱动流、倾斜腔驱动流和圆柱外部绕流问题进行了计算，讨论了非结构化同位网格有限体积法在实现SIMPLE算法时，迭代次数与欠松弛系数的关系、不同网格情况的收敛性、同结构化网格的对比以及流场尾迹结构。通过和以往结果比较可知，本文的方法是准确和可信的。     

Solubility of tridecanedioic acid in pure solvent systems: An experimental and computational study

Solubility has been extensively investigated by the phase equilibria approach at the mesoscale level, but its origin on the molecular and electronic levels is poorly understood. This study explored the solubility behaviour of crystalline solid in selected pure solvents with various functional groups by using both phase equilibria and molecular modelling methods. The model compound tridecanedioic acid (TDDA) solubility in methanol, ethanol, acetic acid, acetone, and ethyl acetate was determined from T = (283.15 to 323.15) K by a static method. It was found that almost all solutions studied exhibit non-ideal behaviour and deviate positively from Raoult’s law indicating the important role of homo-molecules interactions. Thermodynamic analyses of solution suggest that both enthalpy and entropy of solution govern the dissolution process. Computational studies on solubility behaviour were performed by using both density functional theory (DFT) calculations and molecular dynamic (MD) simulations. The results conclude that the (solute + solvent) interaction is not the only factor determining solubility, and (solvent + solvent) interaction also plays an important role. The simulated results are found to be qualitatively consistent with experimental values. Finally, solubility values were correlated by the empirically modified Apelblat equation and two local composition models of Wilson and NRTL.     

Recent progresses on solution-processed silver nanowire based transparent conducting electrodes for organic solar cells

Organic photovoltaics (OPVs) are considered as a future alternative for conventional silicon based solar cells, owing to their low cost, ease of production and high-throughput. The transparent conducting electrode (TCE) is a fundamental component of OPVs. Traditionally, indium tin oxide (ITO) has been mainly utilized as a TCE in OPV applications due to its relatively high transparency and low sheet resistance. However, increasing demand for the optoelectronic devices has led to large fluctuations in ITO prices in the past decade and ITO is known to account more than 50% of the total cost of OPV devices. Thus, it is believed that development of solution-processable alternative materials is of great importance in reducing the cost of OPVs. Numerous materials, including silver nanowires, carbon nanotubes, graphene and conducting polymers, have been offered as replacements for ITO. This article reviews recent progress on fabrication of TCE via solution based coating techniques of silver nanowires (Ag NWs). In addition, performance of the Ag NWs based TCE in OPVs is summarized. Finally, we explore the future outlook for Ag NWs based TCE at the end of the review.     

Disappearing x: When solving does not mean finding the solution set

This study deals with preservice elementary teachers’ responses to linear equations and inequalities that had infinite solution sets. In particular, these tasks dealt with situations where the variable is eliminated during standard symbolic manipulation. The results reveal that infinite solution sets proved difficult for the participants, particularly when prompted to solve the linear equations and inequalities. When the direction prompt was changed, there was increased success in finding the correct solution set. The directional prompts changed the types of solution strategies as well as the nature of responses. In addition, participants stated the belief that different, mathematically equivalent prompts required different, non-equivalent, types of solutions and allowed for different solution strategies.     

Preparation and characterization of modified graphite oxide/poly(propylene carbonate) composites by solution intercalation

Modified graphite oxide (MGO)/Poly (propylene carbonate) (PPC) composites with excellent thermal and mechanical properties have been prepared via a facile solution intercalation method. An intercalated structure of MGO/PPC composites was confirmed by X-ray diffraction and scanning electron microscope. The thermal and mechanical properties of MGO/PPC composites were investigated by thermal gravimetric analysis, differential scanning calorimetric, dynamic mechanical analysis, and electronic tensile tester. Due to the nanometer-sized dispersion of layered graphite in PPC matrix and the strong interfacial interaction between MGO and PPC, the prepared MGO/PPC composites exhibit improved thermal and mechanical properties in comparison with pure PPC. Compared with pure PPC, the MGO/PPC composites show the highest thermal stability and the T_g is 13.8 °C higher than that of pure PPC, while the tensile strength (29.51 MPa) shows about 2 times higher than that of pure PPC when only 3.0 wt.% MGO is incorporated. These results indicate that this approach is an efficient method to improve the properties of PPC.     

Comparison of Planar and 3‐D Interdigitated Electrodes as Electrochemical Impedance Biosensors

It has been reported that the introduction of a dielectric barrier between adjacent digits of an interdigitated electrode array can improve the sensitivity of the array as an electrochemical impedance biosensor. Here we present an in‐depth analysis of the impedance in planar interdigitated electrodes and 3‐D interdigitated electrodes (with dielectric barriers). The analysis indicates that the planar geometry not only provides lower impedance but also a higher change impedance as a result of molecular immobilization on the electrode array surface.     

The effect of the VOF–CSF static contact angle boundary condition on the dynamics of sliding and bouncing ellipsoidal bubbles

The static contact angle is the only empiricism introduced in a Volume of Fluid–Continuum Surface Force (VOF–CSF) model of bubbly flow. Although it has previously been shown to have a relatively limited effect on the accuracy of velocity and shape predictions in the case of large gas bubbles sliding under inclined walls (e.g. Cook and Behnia, 2001), it may have a more determining influence on the numerical prediction of the dynamics of smaller ellipsoidal bubbles which were shown by Tsao and Koch (1997) to bounce repeatedly when sliding under inclined walls at certain wall inclinations. The present paper reports on the influence of surface tension and the static contact angle on the dynamics of an ellipsoidal air bubble of equivalent diameter D_e = 3.4 mm. The bubble Eötvös and Morton numbers are Eo = 1.56 and Mo = 2 × 10⁻¹¹ respectively. The computational results are achieved with a Piecewise Linear Construction (PLIC) of the interface and are reviewed with reference to experimental measurements of bubble velocity and interface shape oscillations recorded using a high speed digital camera. Tests are performed at plate inclination angles θ ∈ {10°, 20°, 30°, 45°} to the horizontal and computational models consider three static contact angles θ_c ∈ {10°, 20°, 30°}. The static contact angle has been found to have a significant effect on the bubble dynamics but to varying degree depending on the plate inclination. It is shown to promote lift off and bouncing when the plate inclination angle reaches 30° in a way that does not necessarily reflect experimental observations.     

A Stress Stability Behavior and Development of an LC Assay Method for Anastrozole

This present work narrates the stress stability behavior and development of a liquid chromatographic method for the quantitative determination of anastrozole. Anastrozole is appropriately used when using substantial amounts of aromatizing steroids, or when one is prone to gynecomastia and using moderate amounts of such steroids. A chromatographic separation was achieved on a Hichrom RPB18 (250 × 4.6 mm, 5 μ) column using water and mixture of acetonitrile and methanol (1:1 ratio) as mobile phase. Forced degradation studies were performed on bulk samples of anastrozole using acid, base, hydrogen peroxide, heat and UV light. Degradation of the drug substance was observed in base hydrolysis. Degradation product formed under base hydrolysis was found to be Imp-C. The sample solution and mobile phase were found to be stable up to 48 h. The developed method was validated with respect to linearity, accuracy, precision, robustness and forced degradation studies prove the stability indicating power of the method.     

Computational modeling of elastic and plastic multiple cracks by the fundamental solutions

The fundamental solutions of elasticity are used to establish a numerical method for elastic and plastic multiple crack problems in two dimensions. The continuous distributions of the point forces, dislocations, and the plastic sources are used systematically to model the crack, non-crack boundary, and the plastic deformation. Use of these singularities are guided strictly by the physical interpretation of the problem. We adopt Muskhelishvili's complex variable formalism that facilitate the analytical evaluation of the integrals representing the continuous distributions of the singularities. The resulting numerical method is concise and accurate enough to be used for elastic and plastic multiple crack problems.