The influence of particle distribution and interphase on the thermal expansion coefficient of particulate composites by the use of a new model

In this work, the thermal expansion coefficient (CTE) of a composite containing spherical particles surrounded by an inhomogeneous interphase embedded in an isotropic matrix is evaluated by means of a new model. The thermomechanical properties of the interphase are formulated as continuous radial functions. It is assumed that this third phase developed between the polymeric matrix and the filler particles contains both areas of absorption interaction in polymer surface layers onto filler particles as well as areas of mechanical imperfections. It can be said that the concept of boundary interphase is a useful tool to describe quantitatively the adhesion efficiency between matrix and particles and that there is an effect of this phase on the thermomechanical properties of the composite. The thickness and volume fraction of this phase were determined from heat capacity measurements for various filler contents. On the other hand, it is assumed that the particle arrangement (distribution) which can be considered as an influence of neighboring inclusions and their interaction should affect the thermomechanical constants of the composite. The theoretical predictions were compared with experimental results as well as with theoretical values from expressions obtained from other workers and they were found to be in satisfactory agreement.     

Molecular dynamics simulations of hydration shell on montmorillonite (001) in water

Molecular dynamics simulations (MDS) of montmorillonite (001)/water interface system were used for studying the hydration shell on the montmorillonite surface in this work. The study was performed on the simulation of concentration profile and self‐diffusion coefficients. The results have shown that there was a hydration shell on the surface with the thickness of approximately 1.74 nm, which was composed of six ordered water molecule layers, including ordered layers and transition layers. The water molecules in the shell were closely and orderly arranged than those in bulk water, leading to a higher concentration of water molecules. Copyright © 2016 John Wiley & Sons, Ltd.     

Improving piezoelectric performance of lead-free polymer composites with high aspect ratio BaTiO3 nanowires

Flexible and lead-free piezoelectric nanocomposites were synthesized with BaTiO₃ nanowires (filler) and poly(vinylidene fluoride) (PVDF) (matrix), and the piezoelectric performances of the composites were systematically studied by varying the aspect ratio (AR) and volume fraction of the nanowire and poling time. BaTiO₃ nanowires with AR of 18 were synthesized and incorporated into PVDF to improve the piezoelectric performance of the composites. It was found that high AR significantly increased the dielectric constant up to 64, which is over 800% improvement compared to those from the composites containing spheroid shape BaTiO₃ nanoparticles. In addition, the dielectric constant and piezoelectric coefficient were also enhanced by increasing the concentration of BaTiO₃ nanowires. The piezoelectric coefficient with 50-vol% BaTiO₃ nanowires embedded in PVDF displayed 61 pC/N, which is much higher than nanocomposites with spheroid shape BaTiO₃ nanoparticles as well as comparable to, if not better, other nanoparticle-filled polymer composites. Our results suggest that it is possible to fabricate nanocomposites with proper mechanical and piezoelectric properties by utilizing proper AR fillers.     

产业集群创新能力评价模型的比较研究

针对产业集群创新能力评价的一些复杂方法,以文献中的基于BP神经网络的产业集群创新能力评价模型作为比较对象,提出了两种评价模型:组合评价模型和主成分指数模型.前者将变异系数法和Topsis法组合使用,用以评价产业集群创业能力;后者则是对所有参评样本的评价指标进行主成分分析,以主成分的方差贡献率为权重,构建主成分综合指数,从而形成产业集群创新能力的综合评价指数模型.对这两个模型用来自比较对象模型的同一数据进行了验证,三个模型都得出了非常相近的结果,而这两种模型更具可操作性且易于解释,这两者相比,主成分分析的方法则更为简单易行.     

动态变系数回归模型的识别与非参数GMM估计

主要研究关于面板数据的有限阶固定效应的动态变系数回归模型(简称FDVCM)的统计推断问题.基于B-样条函数和广义矩估计(简称GMM)方法,首先建立了未知系数函数的非参数GMM估计,并证明大样本情形下该估计达到最优非参数收敛速度且具有渐近正态性质.然而实际问题中模型的动态阶数完全未知,也可能存在其它冗余的回归变量,文中借助文[Fan J,Li R.Variable selection via penalized likelihood and its oracle properties.Journal of the American Statistical Association,2001,96(456):1348-1360]中的smoothly clipped absolute deviation(简称SCAD)惩罚函数同时识别真实的动态阶数和显著的外生回归变量.同时建立了压缩估计的Oracle性质,即所识别的模型与真实模型中的参数估计具有相同的渐近分布.最后,无论是数值试验还是实例数据分析都验证了本文方法的合理性和可行性.     

一元强碱滴定二元弱酸的林邦滴定曲线方程及pH_(sp)计算

用质子条件式PBE、物料平衡式MBE、副反应系数和条件稳定常数等知识,推导出一元强碱滴定二元弱酸溶液的林邦滴定曲线方程,并用其推导出第一、第二化学计量点pH_(sp1)和pH_(sp2)的计算公式。     

Bulk Free Radical Polymerization of Methyl Methacrylate and Vinyl Acetate: A Comparative Study

The model and methodology for estimating diffusion‐controlled rate coefficients for the methyl methacrylate (MMA) polymerization system is extended to the vinyl acetate (VAc) case. Comparison of the kinetic behavior and termination rate coefficients (k_t) of both monomers suggests that at low conversions the termination reaction is controlled by the chemical step, whereas at moderate and high conversions it is controlled by the diffusive step which in turn is determined by the segmental diffusion of the long radicals and not by the center of mass diffusion of short radicals. It is found that, for most of the conversion range, diffusion coefficient for VAc is lower than the one for MMA notwithstanding that k_tVAc > k_tMMA. An explanation of this apparent inconsistency on the base of the model results and in terms of segmental mobility is proposed.

     

One‐step boundary knot method for discontinuous coefficient elliptic equations with interface jump conditions

This study makes the first attempt to apply the boundary knot method (BKM), a meshless collocation method, to the solution of linear elliptic problems with discontinuous coefficients, also known as the elliptic interface problems. The additional jump conditions are usually required to be prescribed at the interface which is used to maintain the well‐posedness of the considered problem. To solve the problem efficiently, the original governing equation is first transformed into an equivalent inhomogeneous modified Helmholtz equation in the present numerical formulation. Then the computational domain is divided into several subdomains, and the solution on each subdomain is approximated using the BKM approach. Unlike the conventional two‐step BKM, this study presents a one‐step BKM formulation which possesses merely one influence matrix for inhomogeneous problems. Several benchmark examples with various discontinuous coefficients have been tested to demonstrate the accuracy and efficiency of the present BKM scheme. © 2016Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 1509–1534, 2016     

An inverse diffusion problem with nonlocal boundary conditions

This article considers the inverse problem of identification of a time‐dependent thermal diffusivity together with the temperature in an one‐dimensional heat equation with nonlocal boundary and integral overdetermination conditions when a heat exchange takes place across boundary of the material. The well‐posedness of the problem is studied under some regularity, and consistency conditions on the data of the problem together with the nonnegativity condition on the Fourier coefficients of the initial data and source term. The inverse problem is also studied numerically by using the Crank–Nicolson finite difference scheme combined with predictor‐corrector technique. The numerical examples are presented and discussed. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 564–590, 2016