聚合物分子模型的Brown动力学模拟

介绍了研究聚合物分子模拟流变性质的Brown动力学模拟方法,综述了有关这方面的研究工作．在通常情况下,将分子模型的数值模拟与求解流动守恒方程的数值解法相结合,便有可能用分子模型去代替连续介质力学的本构方程,来模拟聚合物流体的复杂流动．本文介绍了这一方法的产生背景、最新进展以及优点．      

材料非线性粘弹性本构关系的神经网络模拟

对Green-Rivlin非线性粘弹本构方程给出了用一个三层时延前馈神经网络表示的等价关系,从而利用该网络可以求解G-R方程中的各阶核函数,并给出了根据有机玻璃的一组实验数据计算核函数的应用实例,由此指出神经网络方法可广泛应用于材料本构关系的研究。     

用于板料成形反向模拟的特殊应力更新算法

提出了一种改进的反向模拟法,以最终构型为研究对象,采用Euler坐标系,基于虚功原理获得有限元列式. 改进的反向模拟法采用了一种基于塑性流动理论的本构方程,可以充分考虑应变历史对塑性变形的影响. 为了避免流动理论应力更新算法过程中关于未知量\Delta\lambda 的非线性方程的求解,引入等效应力思想,无需Newton-Raphson迭代直接计算未知量\Delta \lambda . 盒形件的拉深实例中,传统的基于塑性形变本构方程的反向模拟法和改进的基于塑性流动本构方程的反向模拟法计算结果,分别与基于增量有限元法的正向数值模拟求解器LS-DYNA计算结果进行对比. 通过获得的坯料轮廓、成形极限图、等效应变分布、计算效率等的比较,验证了所提出的基于塑性流动理论本构模型的应力更新算法的有效性.      

基于牛顿-拉夫逊的拉压不同模量问题的数值求解

针对拉压模量不同引起的材料本构非线性,首先,通过引入改进的Heaviside函数将本构方程连续光滑化;然后,基于特征值与特征向量的求导策略,推导有限元求解模型中切线刚度矩阵的列式;最终,提出基于牛顿-拉夫逊迭代格式的拉压不同模量问题的数值求解算法。数值算例验证了本文算法比传统算法具有更稳定的收敛性和更高的求解精度,特别适合于工程分析中大规模计算问题的求解。     

弹／粘塑性三维应力的参数变换

对符合Ｂｒｉｄｇｍａｎ假设和简单加载条件的弹／粘塑性材料，本文引用坐标变换的三个参数σｍ、μσ、ｊ′２将非线性弹／粘塑性本构方程线性化。用这些参数构造三维基本方程，用Ｌａｐｌａｃｅ变换方法可以求解。本文用这一方法分析了弹／粘塑性力学典型问题。     

注塑成型流动诱导应力的数值计算

根据注塑成型的特点引入合理的假设,简化了粘性、可压缩、非等温塑料熔体流动的控制方程及基于PTT(Phan Thien Tanner)模型的本构方程,用分部积分法推导了关于压力场的拟Poisson方程,用待定系数法导出了流动应力的解析表达式.用有限元法求解压力场,有限差分及"上风"法离散求解温度场,根据解析表达式计算速度场及应力场,再进行应力-速度迭代求出非线性问题的最终解.比较了PC材料的模拟结果与光弹实验结果,模拟结果与实验结果基本一致.     

黏弹性流体扩展及收缩流动的格子Boltzmann模拟分析

本文应用格子Boltzmann 方法(LBM)并结合Oldroyd-B 模型,讨论了不可压缩的 Navier-Stokes 方程和平流扩散本构方程的解耦及各自求解方法,以及两类问题的边界处理格式,实现了黏弹性流体在二维1:3 扩展流道以及3:1 收缩流道中的流动的数值模拟．获得了不同雷诺数Re 和维森伯格数Wi 以及黏度vs 下流动的流线分布,计算给出了漩涡的涡心位置和大小,并分析了参数Re、Wi 和vs 对流动特点的影响．模拟结果表明本文所采用模型和边界处理方法具有良好的精度和稳定性．     

基于黏弹性的微注射成型流动模拟

应用有限元方法研究了微注射成型中瞬态、可压缩、非牛顿熔体流动的黏弹性对流动前沿及流动平衡的影响。基于Phan-Thien-Tanner模型建立了熔体流动的本构方程,利用Hele-Shaw假设和简化建立了瞬态、可压缩、非牛顿熔体流动的连续性方程、动量方程、能量方程;为了有效地描述微注射成型的尺寸效应,采用了边界滑移和表面张力边界条件。通过分部积分和待定系数法导出了带有边界信息的变分方程和求解应力分量的半解析公式,构造了有限元离散求解及超松驰迭代算法。模拟结果表明:熔体的黏弹性对浇口附近的压力和后续的熔体流动前沿有重要影响;与黏性模型相比,黏弹性模型可以控制模拟压力的快速增长,减少不同型腔之间的充填差异,与短射实验结果也更吻合。     

弹塑性问题的边界元—流动因子线性互补解

1.前言尽管求解弹塑性问题已有许多方法,但一般来说,如不采用迭代法则不可避免地会产生有效应力偏离屈服面的“漂移”现象.从近代发展起来的变分不等式和参变量变分原理出发所建立起来的有限元方程,较成功地把数学规划理论应用到非线性本构关系的应力分析中.本文方法与以往方法的最大区别在于,将边界元方程与弹塑性屈服准则联立,导出了按增量求解的线性互补方程.因此对任一荷载增量步,通过求解一次线性互补方程,将使边界元方程和屈服准则同时满足,从而既无须迭代又避免了有效应力的漂移.并且也适用于非法向的屈服流动、随机强化模型及Drucker-Prager 模型等.与文献[1-4]的     

纤维悬浮液搅拌流动的数值模拟

由于缺乏适当的本构方程，对纤维悬浮液流动的研究一直局限于纤维的牛顿流体悬浮液。本文采用ＭＵＣＭ模型对作者最近提出的纤维Ｏｌｄｒｏｙｄ－Ｂ流体悬浮液的本构方程作了改进，并对锚式桨搅拌槽的二维Ｏｌｄｒｏｙｄ－Ｂ流体和牛顿流体纤维悬浮液搅拌流动作了数值模拟。模拟的结果表明，本文所用的模型和方法能有效地抑制过大局部应力的影响并合理地处理流体的记忆效应。     

Practical comparison of differential viscoelastic constitutive equations in finite element analysis of planar 4:1 contraction flow

Finite element modeling of planar 4:1 contraction flow (isothermal incompressible and creeping) around a sharp entrance corner is performed for favored differential constitutive equations such as the Maxwell, Leonov, Giesekus, FENE-P, Larson, White-Metzner models and the Phan Thien-Tanner model of exponential and linear types. We have implemented the discrete elastic viscous stress splitting and streamline upwinding algorithms in the basic computational scheme in order to augment stability at high flow rate. For each constitutive model, we have obtained the upper limit of the Deborah number under which numerical convergence is guaranteed. All the computational results are analyzed according to consequences of mathematical analyses for constitutive equations from the viewpoint of stability. It is verified that in general the constitutive equations proven globally stable yield convergent numerical solutions for higher Deborah number flows. Therefore one can get solutions for relatively high Deborah number flows when the Leonov, the Phan Thien-Tanner, or the Giesekus constitutive equation is employed as the viscoelastic field equation. The close relationship of numerical convergence with mathematical stability of the model equations is also clearly demonstrated.     

Molecular model and flow calculation: I. The numerical solutions to multibead-rod models in homogeneous flows

The Galerkin method is used to solve the diffusion equation of the distribution function in configurational space for a multibead-rod model, and the dimensionless components of the extra stress tensor are then calculated by means of the expression of ensemble average. The material functions for steady-state shear flow and uniaxial flow and the mechanical properties of rigid-rodlike molecule suspensions in superposed flows are obtained numerically. The results indicate that it is promising to employ the multibead-rod models without the constitutive equation in numerical simulations of flows of suspensions. The project supported by the National Natural Science Fundation of China.     

Viscoelastic flow past confined objects using a micro–macro approach

This paper is concerned with the numerical prediction of viscoelastic flow past a cylinder in a channel and a sphere in a cylinder using molecular-based models. The basis of the numerical method employed is a micro–macro model in which the polymer dynamics is described by the evolution of an ensemble of Brownian configuration fields. The spectral element method is used to discretize the equations in space. Comparisons are made between the macroscopic simulations based on the Oldroyd B constitutive model and microscopic simulations based on Hookean dumbbells, and excellent agreement is found. The micro–macro approach can be used to simulate models, such as the finitely extensible nonlinear elastic (FENE) dumbbell model, which do not possess a closed-form constitutive equation. Numerical simulations are performed for the FENE model. The influence of the model parameters on the flow is described and, in particular, the dependence of the drag as a function of the Weissenberg number.     

率相关本构方程积分新算法

提出一种积分率相关本构方程的隐式积分新算法,引入0～1范围内的缩放因子λ对本构方程进行间接求解,可以避免直接求解等效塑性应变或等效塑性应变率时,由于其数值过大或过小而造成的收敛困难或收敛失败,实现对率相关本构方程的快速准确求解.以B-P统一本构方程及双曲正弦本构方程为例,验证了算法的可行性.结果表明,新算法对于准静态变形条件下的无硬化本构方程也可以得出准确的解.     

Numerical study of flows of complex fluids between eccentric cylinders using transformation functions

In this paper, we investigate fluid flows between eccentric cylinders by means of two stream‐tube analyses. The first method considers a one‐to‐one global transformation function that allows the physical domain to be transformed into a mapped domain, used as computational domain, that involves concentric streamlines. The second approach uses local transformations and domain decomposition techniques to deal with mixed flow regimes. Both formulations are particularly adapted for handling time‐dependent constitutive equations, since particle‐tracking problems are avoided. Mass conservation is verified in both formulations and the relevant numerical procedure can be carried out using simple meshes built on the mapped streamlines. Fluids obeying anelastic and viscoelastic constitutive equations are considered in the calculations. The numerical results are consistent with those in the literature for the flow rates tested. Application of the method to the K‐BKZ memory‐integral constitutive equation highlights significant differences between the model predictions and those provided by more simple rheological models. Copyright © 2002 John Wiley & Sons, Ltd.     

各向同性超弹性本构模型数值计算及验证

现有多种形式的橡胶本构模型试图预测橡胶力学性质,其中部分模型已写入有限元软件中用于仿真计算,还存在较多拟合性较好的模型无法在有限元材料库中直接获得。本文详述了由不变量和主伸长率描写的各向同性超弹性本构模型的数值实现方法,并结合最新的本构模型开发了UHYPER和UMAT子程序。将UHYPER用于有限元实现对多孔橡胶板的拉伸仿真,对比仿真和试验结果,验证子程序的正确性以及评估本构模型预测复杂应变场的准确性;将UMAT用于单轴、等双轴和剪切拉伸的有限元仿真,对比仿真和本构模型理论结果,验证子程序的可靠性。结果表明,有限元仿真结果与理论结果拟合较好,子程序能够契合本构模型的力学描述,所述方法可以用于超弹性材料的数值计算。     

管内上随体Maxwell流体非定常流动

本文研究了上随体Maxwell流体在圆管内非定常流动规律,对于上随体Maxwell流体模型,导出了特殊的运动方程,分别应用隐式差分格式和Kantorovich变分法,求得数值解,对两类方法的结果进行比较,揭示了粘弹流效应对管内非定常流动规津的影响,根据上述研究认为,以上的特殊的变分方法适应于研究非定常流动。     

Dynamical Stability of Viscoelastic Column with Fractional Derivative Constitutive Relation

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FEM-FDM coupled liquefaction analysis of a porous soil using an elasto-plastic model

The phenomenon of liquefaction is one of the most important subjects in Earthquake Engineering and Coastal Engineering. In the present study, the governing equations of such coupling problems as soil skeleton and pore water are obtained through application of the two-phase mixture theory. Using au-p (displacement of the solid phase-pore water pressure) formulation, a simple and practical numerical method for the liquefaction analysis is formulated. The finite difference method (FDM) is used for the spatial discretization of the continuity equation to define the pore water pressure at the center of the element, while the finite element method (FEM) is used for the spatial discretization of the equilibrium equation. FEM-FDM coupled analysis succeeds in reducing the degrees of freedom in the descretized equations. The accuracy of the proposed numerical method is addressed through a comparison of the numerical results and the analytical solutions for the transient response of saturated porous solids. An elasto-plastic constitutive model based on the non-linear kinematic hardening rule is formulated to describe the stress-strain behavior of granular materials under cyclic loading. Finally, the applicability of the proposed numerical method is examined. The following two numerical examples are analyzed in this study: (1) the behavior of seabed deposits under wave action, and (2) a numerical simulation of shaking table test of coal fly ash deposit.