一种化学-力学耦合连续介质理论与数值格式

对化学驱动的连续介质化学-力学耦合系统进行研究,从热力学定律和化学势角度出发,推导了等温过程的化学-力学耦合本构关系和控制方程,利用变分方法建立了化学-力学耦合系统的能量泛函,得到化学-力学耦合控制方程的等效积分形式和相应的有限元列式. 结合算例,对连续介质的化学-力学耦合行为进行了数值计算,数值结果反映了化学与力学系统的相互耦合作用,即浓度变化能引起介质的变形,同样力学作用也能引起浓度重分布. 从全新的角度建立了描述连续介质的化学-力学耦合行为的基本理论和数值方法,能够较好地反映一类连续介质的化学-力学耦合行为.      

水凝胶多场耦合计算力学

作为一种具有多场耦合特性的智能柔体材料,水凝胶的制备技术、性能表征与结构应用得到迅速发展。本文在分析水凝胶本构理论和结构设计的基础上,提出了水凝胶多场耦合计算力学的基本方法和范式,包括微观粗粒化分子动力学模拟和宏观耦合有限元方法等,计算了化学-力学耦合作用下水凝胶材料与结构的变形和应力,给出了多个数值算例与结果比较。研究指出多场耦合计算力学将成为水凝胶材料和结构分析的主要手段,并推动水凝胶等这类智柔材料的性能设计与工程应用。     

The chemo-mechanical coupling behavior of hydrogels incorporating entanglements of polymer chains

To describe precisely the chemo-mechanical coupling behavior of hydrogels, a general form of free energy density function is presented by considering chain entanglements and functionality of junctions. We use the chemical potential of the solvent and the deformation gradient of the network as the independent variables of the developed free energy function, and implement this material model in the finite element package, ABAQUS, to analyze several examples of chemo-mechanical equilibrium deformation behaviors of hydrogels. The influence of chain entanglements and junction functionality on the chemo-mechanical behavior of hydrogels is addressed based on our simulation. With the coded subroutine UHYPER, this work may provide a numerical tool to study complex phenomena in hydrogels.     

LSCF材料氧化还原过程的力化学耦合瞬态三维模拟

 镧锶钴铁氧体(LSCF)具有良好的化学催化性能和导电性能，未来有望被应用于能源工程领域．在周围环境氧气浓度变化时，LSCF 会通过化学反应与周围环境交换氧．这一过程往往会引起化学应力并可能危害设备安全．本文对LSCF 棒在氧化还原循环过程中的反应-扩散过程进行了力化学耦合建模．表面处的化学反应动力学考虑了浓度、应力和温度的影响．通过有限元方法分别求解出三种给定的不同表面化学反应速率下棒伸长量和棒端部附近第一主应力的瞬态解．     

多孔介质的热-电-化-力学耦合理论及应用

本文针对自然界中不同种类的多孔介质,评述了包含化学效应的多场耦合力学问题的国外内研究现状.介绍了研究多场耦合问题的理论架构,并基于唯象理论和热力学理论,建立了一般性的热-电-化-力学多场耦合理论,在此基础上简化为化学-力学耦合理论,利用相应的控制方程和本构关系, 给出了线性耦合系统的变分原理,并证明了化学-力学耦合理论架构的封闭性. 基于所提出的化-力耦合模型,通过数值算例解释了多孔介质中的化学-力学耦合现象.最后对多孔介质,特别是对活体生物软组织中的多场耦合研究中存在的问题进行了讨论,并展望了本领域的未来发展趋势.     

A general solution for one dimensional chemo-mechanical coupled hydrogel rod

Smart hydrogels are environmentally sensitive hydrogels, which can produce a sensitive response to external stimuli, and often exhibit the characteristics of multi filed coupling. In this paper, a hydrogel rod under chemo-mechanical coupling was analytically studied based on a poroelastical model. The already known constitutive and governing equations were simplified into the one dimensional case, then two different boundary conditions were considered. The expressions of concentration, displacement, chemical potential and stress related to time were obtained in a series form. Examples illustrate the interaction mechanism of chemical and mechanical effect. It was found that there was a balance state in the diffusion of concentration and the diffusion process could lead to the expansion or the stress change of the hydrogel rod.     

化学-力学耦合理论与数值方法

该文研究了化学场中的质量扩散与力学耦合问题,构造了化-力耦合情况下的力学本构关系与质量扩散的本构关系,并由这些本构关系和化学场、力学场的控制方程,得到化-力场耦合的有限元方程.通过数值算例,详细分析了由应力场引起的质量重分布和由化学场引起的结构变形.研究表明,力学与化学之间存在明显的相互作用,并采用有限元数值方法进行了分析.     

Characterization of Stress-Diffusion Coupling in Lithiated Germanium by Nanoindentation

There is currently a growing demand for low-cost, high-performance electrochemical energy storage solutions to consumer electronics, vehicle electrification and stationary power management. The successful development and deployment of such solutions necessitate a fundamental understanding of the mechanical properties of electrochemical materials, as well as the intricate coupling between the electro-chemo-mechanical processes in these materials. In this work, we performed a combined experimental and modelling investigation of the stress-diffusion coupling behavior of lithiated germanium (Ge) for its use in high-performance lithium-ion batteries. Thin films of Ge were fabricated using sputtering deposition and then electrochemically lithiated, after which they were subjected to nanoindentation at varying load levels to study indentation-induced creep deformation. Concurrently, a continuum chemo-mechanical model of the nanoindentation test was developed and used to investigate the fundamental mechanisms underlying the stress-gradient-driven creep deformation. The stress-diffusion coupling coefficient and diffusivity of lithium in Ge were obtained by quantitatively comparing the simulated nanoindentation response with the experimental measurements. This integrative experimental and computation work provides important insights into the chemo-mechanical coupling process in high-performance rechargeable battery electrodes.     

Electro-chemo-mechanical couplings in saturated porous media: elastic–plastic behaviour of heteroionic expansive clays

Chemically active saturated clays containing several cations are considered in a two-phase framework. The solid phase contains the negatively charged clay particles, absorbed water and ions. The fluid phase, or pore water, contains free water and ions. Electroneutrality is ensured in both phases, which gives rise to electrical fields. Water and ions can transfer between the two phases. In addition, a part of free water diffuses through the porous medium. A global understanding of all phenomena, deformation, transfer, diffusion and electroneutrality, is provided. Emphasis is laid on the electro-chemo-mechanical constitutive equations in an elastic–plastic setting. Elastic chemo-mechanical coupling is introduced through a potential, in such a way that the tangent elastic stiffness is symmetric. Material parameters needed to estimate the coupling are calibrated from specific experiments available in the recent literature. The elastic–plastic behaviour aims at reproducing qualitatively and quantitatively typical experimental phenomena observed on natural clays during chemical and mixed chemo-mechanical loadings, including chemical consolidation and swelling already described in Int. J. Solids Structures (39 (10), 2773–2806) in the simpler context of Na-Montmorillonite clays. Crucially, the successive exposure of a clay to pore solutions with chemical content dominated by a cation already present in the clay or quasi-absent leads to dramatically different volume changes, in agreement with experimental data.     

连续胶体材料化学-力学耦合有限元理论及其在ABAQUS中UEL程序实现

基于哈密顿原理,得到水凝胶的化学-力学耦合控制方程的等效积分形式和有限元形式。在整体坐标系下推导出用形函数表示的化学-力学耦合应变矩阵和单元刚度矩阵,并且得到在局部坐标系下的离散化形式。结合ABAQUS软件,编制了用户单元子程序UEL,通过数值算例验证了所开发单元的正确性,为在ABAQUS软件中实现各种耦合问题的有限元UEL编程提供了参考依据。     

机敏材料和机敏结构的力学分析

机敏材料是一种具有传感和执行的双重功能的功能材料，它无需外界的帮助，而本身就可以在电、磁、热、机械运动、光、声、化学、流变等等性能中的几项之间产生耦合行为，当机敏材料和具体结构形式结合在一起时便构成了机敏结构。本文重点介绍了比压电体更为一般化的线性电磁热弹性固体的一些基本理论，综述了压电体的材料力学分析以及压电体在机敏结构控制中的力学行为分析。最后则简略讨论了其它机敏材料中的力学分析。     

智能软材料热-电-化-力学耦合问题的研究进展

本文重点评述了自然界中的典型智能软材料:聚合物胶体和水凝胶以及关节软骨的多场耦合力学问题的国内外研究现状。基于唯象热力学理论和哈密顿原理,建立了一般性的热-电-化-力学多场耦合理论。重点针对等温过程的化学-力学耦合本构关系和控制方程,通过哈密顿原理,建立了化力耦合系统的有限元列式。证明了化学-力学耦合理论架构的封闭性。通过数值算例分析了水凝胶和关节软骨的多场耦合作用。最后展望了智能软材料多场耦合研究的未来发展趋势。      

基于LQG最优控制法的压电智能结构独立模态空间控制

采用压电材料作为传感器和驱动器对智能结构振动主动控制进行研究,基于机电耦合的压电智能结构传感和驱动方程,将振动控制动力学方程变换到模态空间对方程进行解耦。通过计算结构最大应变,确定压电元件的最佳粘贴位置。考虑到系统过程噪声和量测噪声的影响,设计Kalman滤波器,采用基于线性二次型高斯(LQG)最优控制的独立模态空间控制方法对压电智能结构的振动进行控制。最后以压电智能悬臂梁为例进行控制仿真,验证了此方法的有效性。     

智能复合材料的应用与力学研究进展

介绍了智能材料和智 能复合材料的基本概念、主要类型以及智能材料的感知与驱动机理,重点介绍了智能复合材 料当前的应用情况,并简要阐述了智能复合材料领域当前研究的热点问题,介绍了该领域中 的多物理场耦合问题及CNT/SMP复合材料性能的研究现状,展望了智能复合材料的发展前景.     

压电薄板屈曲有限元分析及DKQ单元

在机电耦合本构方程基础上,利用Hamilton原理推导了压电薄板屈曲分析的有限元特征方程和机电耦合的内力计算公式,在有限元实现中选择了基于Kirchhoff薄板假定的四边形薄板单元（DKQ单元）,并给出该单元的几何刚度阵及其数值积分方法。在大型通用有限元分析和优化设计软件系统JIFEX中实现了该方法。给出的数值验证了DKQ单元在屈曲分析和压电薄板静力分析中具有较高精度和收敛性,通过机械荷载和电荷载联合作用下的临界荷载计算,表明压电耦合效应能够影响结构的稳定性,可以通过改变外加电压对结构稳定性进行控制。     

Equilibrium morphology of misfit particles in elastically stressed solids under chemo-mechanical equilibrium conditions

This paper studies the effects of chemical, elastic and interfacial energies on the equilibrium morphology of misfit particles due to phase separation in binary alloys under chemo-mechanical equilibrium conditions. A continuum framework that governs the chemo-mechanical equilibrium of the system is first developed using a variational approach by treating the phase interface as a sharp interface endowed with interfacial excess energy. An extended finite element method (XFEM) in conjunction with the level set method is then developed to simulate the behaviors of the coupled chemo-mechanical system. The coupled chemo-mechanics model together with the numerical techniques developed here provides an efficient simulation tool to predict the equilibrium morphologies of precipitates in phase separate alloys.     

考虑化学-力学耦合的稳态裂纹问题

含有化学过程的多场耦合问题广泛存在于天然多孔介质、生物组织和新型功能材料中，其中各物质组分在应力、化学势梯度、温度差和电势差等共同作用下，会发生质量、动量和能量的传递和转化．本文研究了稳态扩散下有限厚度平板中的I型裂纹问题．通过傅里叶变换和引入位错密度函数，将问题归结为求解一组奇异积分方程，采用Lobatto-Chebyshev方法对其进行数值求解，最后对化学势分布和应力强度因子进行了讨论．     

Stress-induced crystal preferred orientation in the poromechanics of in-pore crystallization

A non-hydrostatic stress field affects the orientation of crystals growing in the pore network of an elastic porous medium. The hypothesis of a hydrostatic state of stress within the crystal has been implicitly made in the recent extension of poromechanics to in-pore crystalization (Coussy, 2006). This underlying hypothesis is revisited on a small-scale conceptual model based on Eshelby's problem and shows that chemo-mechanical equilibrium requires that the crystal adapts its shape and orientation to the far-field stress, therefore resulting at equilibrium in a hydrostatic state of stress within the crystal. The optimum crystal shape as a function of the far-field stress is consistently investigated, highlighting limiting cases. The small scale model allows to understand the macroscopic effects associated with deviatoric stresses in the poromechanics of in-pore crystallization. Moreover, it provides the building block for an up-scaling of the macroscopic tangent poroelastic properties, which depend on both the current crystal saturation and the state of stress. A dilute micromechanical scheme illustrates the variation of the macroscopic Biot's coefficient tensor as a function of deviatoric stresses. A simple configuration akin to a potential laboratory experiment finally illustrates the strong induced anisotropy of the crystallization induced macroscopic strain when deviatoric stresses are applied to the material prior to crystallization.     

Two kinds of contact problems in three-dimensional icosahedral quasicrystals

Two kinds of contact problems, i.e., the frictional contact problem and the adhesive contact problem, in three-dimensional(3D) icosahedral quasicrystals are discussed by a complex variable function method. For the frictional contact problem, the contact stress exhibits power singularities at the edge of the contact zone. For the adhesive contact problem, the contact stress exhibits oscillatory singularities at the edge of the contact zone. The numerical examples show that for the two kinds of contact problems, the contact stress exhibits singularities, and reaches the maximum value at the edge of the contact zone. The phonon-phason coupling constant has a significant effect on the contact stress intensity, while has little impact on the contact stress distribution regulation. The results are consistent with those of the classical elastic materials when the phonon-phason coupling constant is 0. For the adhesive contact problem, the indentation force has positive correlation with the contact displacement, but the phonon-phason coupling constant impact is barely perceptible. The validity of the conclusions is verified.     

The analysis of thermal stresses in thermopiezoelastic semi-infinite body with an edge crack

Summary  Thermopiezoelastic materials have recently attracted considerable attention because of their potential use in intelligent or smart structural systems. The governing equations of a thermopiezoelastic medium are more complex due to the intrinsic coupling effects that take place among mechanical, electrical and thermal fields. In this analysis, we deal with the problem of a crack in a semi-infinite, transversely isotropic, thermopiezoelastic material by means of potential functions and Fourier transforms under steady heat-flux loading conditions. The problem is reduced to a singular integral equation that is solved. The thermal stress intensity factor for a crack situated in a cadmium selenide material is calculated. Received 20 March 2001; accepted for publication 18 October 2001