The effect of nanoparticle shape on polymer‐nanocomposite rheology and tensile strength

Nanoparticles can influence the properties of polymer materials by a variety of mechanisms. With fullerene, carbon nanotube, and clay or graphene sheet nanocomposites in mind, we investigate how particle shape influences the melt shear viscosity η and the tensile strength τ, which we determine via molecular dynamics simulations. Our simulations of compact (icosahedral), tube or rod‐like, and sheet‐like model nanoparticles, all at a volume fraction ? ≈ 0.05, indicate an order of magnitude increase in the viscosity η relative to the pure melt. This finding evidently can not be explained by continuum hydrodynamics and we provide evidence that the η increase in our model nanocomposites has its origin in chain bridging between the nanoparticles. We find that this increase is the largest for the rod‐like nanoparticles and least for the sheet‐like nanoparticles. Curiously, the enhancements of η and τ exhibit opposite trends with increasing chain length N and with particle shape anisotropy. Evidently, the concept of bridging chains alone cannot account for the increase in τ and we suggest that the deformability or flexibility of the sheet nanoparticles contributes to nanocomposite strength and toughness by reducing the relative value of the Poisson ratio of the composite. The molecular dynamics simulations in the present work focus on the reference case where the modification of the melt structure associated with glass‐formation and entanglement interactions should not be an issue. Since many applications require good particle dispersion, we also focus on the case where the polymer‐particle interactions favor nanoparticle dispersion. Our simulations point to a substantial contribution of nanoparticle shape to both mechanical and processing properties of polymer nanocomposites. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1882–1897, 2007     

艾滋病防治资源投入的效果分析

基于GOALS模型的基本思想,建立了效果分析模型,并针对两种不同的资金分配方案,模拟了两种方案对2006—2010年某地艾滋病流行的影响,并对模拟结果进行了分析.     

煤矿瓦斯和煤尘监控的数学模型

结合2006年全国大学生数学建模竟赛D题,借助Matlab软件,通过数学建模,计算出有关煤矿瓦斯和煤尘的3个主要安全指标,从而为解决煤矿实际安全生产提供了参考.     

Investigation and reduction of variance of a weighted estimate in numerical statistical simulation

The efficiency of the “value” and “partial value” modeling related to the construction of a modeling distribution for an auxiliary random variable by multiplying the initial density by a value function is investigated. The value function usually corresponds to a solution of the adjoint equation. Conditions under which the value modeling of the initial distribution reduces the variance compared to the direct simulation are obtained. It is proved that the variance of the weighted estimate is bounded in the case of the partial value modeling. This proposition provides a basis for a method for determining whether or not the variance of the weighted estimate is bounded. This method uses the majorizing adjoint equation. Using a practically important problem in transport theory as an example, the asymptotic optimization of the distribution of the mean free path is presented. The application of the proposed method of the investigation of the variance boundedness for the analysis of the classical exponential transformation method of simulating the mean free path of a particle in the one-dimensional and the spherical variants is discussed.     

连续级联喇曼光纤激光器耦合波方程的修正

从最基本的耦合波方程出发，考虑光波正反向传输的情况下，推导出了一个全面的、准确的关于连续级联喇曼光纤激光器的理论模型，描述了各级Stokes光波功率沿光纤长度的变化.指出了相关一些文献中存在的不足，并且给出了多级斯托克斯光波相互作用的有效作用面积的表达式.此模型有助于喇曼光纤激光器的设计.     

Large-scale effects on meso-scale modeling for scalar transport

The transport of scalar quantities passively advected by velocity fields with a component at small scale ℓ can be modeled at scales larger than ℓ by means of an effective drift and an effective diffusivity, which can be determined by means of multiple-scale techniques. We show that the presence of a weak flow at large scales Lℓ induces interesting effects on the scalar transport at the meso-scales (i.e. at scales intermediate between ℓ and L). In particular, it gives rise to non-isotropic and non-homogeneous corrections to the meso-scale drift and diffusivity. We discuss an approximation that allows us to retain the second-order effects caused by the large-scale flow. This provides a rather accurate meso-scale modeling for both asymptotic and pre-asymptotic scalar transport properties. Numerical simulations in model flows are used to illustrate the importance of such large-scale effects.     

财经类院校数学建模的教学与实践

针对经济、管理类专业学生的特点 ,介绍了在财经类院校开展数学建模活动的意义、方法和步骤 ,总结了开展数学建模竞赛的经验 .     

Atomistic packing models for experimentally investigated swelling states induced by CO2 in glassy polysulfone and poly(ether sulfone)

Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO₂ gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time‐dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas‐sorption measurements. The models obtained by force‐field‐based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1874–1897, 2006     

数学建模融入微积分教学单元

本文是教育部项目的子课题中期报告中样板单元,针对打假的机理问题设计了数学建模融入微积分的一个教学单元,文中详细地给出了单元的全文、讲授和实践(或计划讲授和实践)的学时的安排、师生的反映、体会和建议.     

Willis环状脑动脉瘤系统的自适应模糊控制

针对不确定非线性生物系统—W illis环状脑动脉瘤系统,利用高斯型模糊逻辑系统的逼近能力及新构造的Lyapunov函数,基于模糊建模提出了一种自适应模糊控制器设计的新方案.该方案把逼近误差引入到控制器设计条件中用以改善系统的动态性能.不但设计简单还保证了控制方法的鲁棒性与稳定性.通过反向传播算法调整模糊基函数参数及递归最小二乘法调整参数向量,θ更新控制律,实现了理想跟踪.从理论上研究了脑动脉瘤内血流速度的非线性行为及控制,具有实际意义.仿真结果表明该控制方法的有效性.