A Two-Scale Model for Coupled Electro-Chemo-Mechanical Phenomena and Onsager’s Reciprocity Relations in Expansive Clays: II Computational Validation

In Part I Moyne and Murad [Transport in Porous Media 62, (2006), 333–380] a two-scale model of coupled electro-chemo-mechanical phenomena in swelling porous media was derived by a formal asymptotic homogenization analysis. The microscopic portrait of the model consists of a two-phase system composed of an electrolyte solution and colloidal clay particles. The movement of the liquid at the microscale is ruled by the modified Stokes problem; the advection, diffusion and electro-migration of monovalent ions Na⁺ and Cl⁻ are governed by the Nernst–Planck equations and the local electric potential distribution is dictated by the Poisson problem. The microscopic governing equations in the fluid domain are coupled with the elasticity problem for the clay particles through boundary conditions on the solid–fluid interface. The up-scaling procedure led to a macroscopic model based on Onsager’s reciprocity relations coupled with a modified form of Terzaghi’s effective stress principle including an additional swelling stress component. A notable consequence of the two-scale framework are the new closure problems derived for the macroscopic electro-chemo-mechanical parameters. Such local representation bridge the gap between the macroscopic Thermodynamics of Irreversible Processes and microscopic Electro-Hydrodynamics by establishing a direct correlation between the magnitude of the effective properties and the electrical double layer potential, whose local distribution is governed by a microscale Poisson–Boltzmann equation. The purpose of this paper is to validate computationally the two-scale model and to introduce new concepts inherent to the problem considering a particular form of microstructure wherein the clay fabric is composed of parallel particles of face-to-face contact. By discretizing the local Poisson–Boltzmann equation and solving numerically the closure problems, the constitutive behavior of the diffusion coefficients of cations and anions, chemico-osmotic and electro-osmotic conductivities in Darcy’s law, Onsager’s parameters, swelling pressure, electro-chemical compressibility, surface tension, primary/secondary electroviscous effects and the reflection coefficient are computed for a range particle distances and sat concentrations.     

Thermomechanics of Swelling Biopolymeric Systems

A two-scale theory for the swelling biopolymeric media is developed. At the microscale, the solid polymeric matrix interacts with the solvent through surface contact. The relaxation processes within the polymeric matrix are incorporated by modeling the solid phase as viscoelastic and the solvent phase as viscous at the mesoscale. We obtain novel equations for the total stress tensor, chemical potential of the solid phase, heat flux and the generalized Darcy's law all at the mesoscale. The constitutive relations are more general than those previously developed for the swelling colloids. The generalized Darcy's law could be used for modeling non-Fickian fluid transport over a wide range of liquid contents. The form of the generalized Fick's law is similar to that obtained in earlier works involving colloids. Using two-variable expansions, thermal gradients are coupled with the strain rate tensor for the solid phase and the deformation rate tensor for the liquid phase. This makes the experimental determination of the material coefficients easier and less ambiguous.     

A Two-Scale Model for Coupled Electro-Chemo-Mechanical Phenomena and Onsager’s Reciprocity Relations in Expansive Clays: I Homogenization Analysis

The macroscopic model governing coupled electro-chemo-mechanical phenomena in expansive clays is revisited within a rigorous homogenization procedure applied to the microscopic governing equations which describe the local interaction between charged clay particles and a binary monovalent aqueous electrolyte solution. The up-scaling of the microscopic electro-hydro-dynamics leads to a two-scale approach wherein the macroscopic model appears governed by a fully coupled form of Onsager’s reciprocity relations, mass conservation equations and a modified Terzaghi’s effective stress principle. In addition, the two-scale approach provides microscopic representations for the effective coefficients which are exploited herein to obtain further insight in the constitutive behavior of the electrochemical parameters and the swelling pressure. Among other effects, we show that these microscopic closure relations are mainly dictated by the spatial variability of a microscale electric potential which satisfies a local version of the Poisson–Boltzmann problem in a periodic unit cell, The proposed framework allows to address various relevant still open issues regarding the constitutive behavior of swelling systems, Among them we give particular emphasis on the analysis of the influence of the fluctuation and distortion of the electrical double layer upon the magnitude of the electrochemical coefficients and the precise local conditions for the validity of the symmetry of Onsager’s relations.     

Characterization of yielding behavior of polycrystalline metals with single crystal plasticity based on representative characteristic length

Single crystal plasticity based on a representative characteristic length is proposed and introduced into a homogenization approach based on finite element analyses, which are applied to characterization of distinctive yielding behaviors of polycrystalline metals, yield-point elongation, and grain size strengthening. The computational manner for an implicit stress update is derived with the framework of a standard multi-surface plasticity at finite strain, where the evolution of the characteristic lengths are numerically converted from the accumulated slips of all of slip systems by exploiting the mathematical feature of the characteristic length as the intermediate function of the plastic internal variables. Furthermore, a constitutive model for a single crystal reproduces the stress–strain curve divided into three parts. Using two-scale finite element analysis, the macroscopic stress–strain response with yield-point elongation under a situation of low dislocation density is reproduced. Finally, the grain size effect on the yield strength is analyzed with modeling of the grain boundary in the context of the proposed constitutive model and is discussed from both macroscopic and microscopic views.     

Characterization of macroscopic tensile strength of polycrystalline metals with two-scale finite element analysis

The objective of this contribution is to develop an elastic-plastic-damage constitutive model for crystal grain and to incorporate it with two-scale finite element analyses based on mathematical homogenization method, in order to characterize the macroscopic tensile strength of polycrystalline metals. More specifically, the constitutive model for single crystal is obtained by combining hyperelasticity, a rate-independent single crystal plasticity and a continuum damage model. The evolution equations, stress update algorithm and consistent tangent are derived within the framework of standard elastoplasticity at finite strain. By employing two-scale finite element analysis, the ductile behaviour of polycrystalline metals and corresponding tensile strength are evaluated. The importance of finite element formulation is examined by comparing performance of several finite elements and their convergence behaviour is assessed with mesh refinement. Finally, the grain size effect on yield and tensile strength is analysed in order to illustrate the versatility of the proposed two-scale model.     

A thermo-mechanically coupled theory for fluid permeation in elastomeric materials: Application to thermally responsive gels

An elastomeric gel is a cross-linked polymer network swollen with a solvent, and certain gels can undergo large reversible volume changes as they are cycled about a critical temperature. We have developed a continuum-level theory to describe the coupled mechanical deformation, fluid permeation, and heat transfer of such thermally responsive gels. In discussing special constitutive equations we limit our attention to isotropic materials, and consider a model based on a Flory–Huggins model for the free energy change due to mixing of the fluid with the polymer network, coupled with a non-Gaussian statistical–mechanical model for the change in configurational entropy—a model which accounts for the limited extensibility of polymer chains. We have numerically implemented our theory in a finite element program. We show that our theory is capable of simulating swelling, squeezing of fluid by applied mechanical forces, and thermally responsive swelling/de-swelling of such materials.     

The Peierls stress in non-local elasticity

The effect of non-locality on the Peierls stress of a dislocation, predicted within the framework of the Peierls-Nabarro model, is investigated. Both the integral formulation of non-local elasticity and the gradient elasticity model are considered. A modification of the non-local kernel of the integral formulation is proposed and its effect on the dislocation core shape and size, and on the Peierls stress are discussed. The new kernel is longer ranged and physically meaningful, improving therefore upon the existing Gaussian-like non-locality kernels. As in the original Peierls-Nabarro model, lattice trapping cannot be captured in the purely continuum non-local formulation and therefore, a semi-discrete framework is used. The constitutive law of the elastic continuum and that of the glide plane are considered both local and non-local in separate models. The major effect is obtained upon rendering non-local the constitutive law of the continuum, while non-locality in the rebound force law of the glide plane has a marginal effect. The Peierls stress is seen to increase with increasing the intrinsic length scale of the non-local formulation, while the core size decreases accordingly. The solution becomes unstable at intrinsic length scales larger than a critical value. Modifications of the rebound force law entail significant changes in the core configuration and critical stress. The discussion provides insight into the issue of internal length scale selection in non-local elasticity models.     

A non-local implicit gradient-enhanced model for unstable behaviors of pseudoelastic shape memory alloys in tensile loading

In this paper, a gradient-enhanced 3-D phenomenological model for shape memory alloys using the non-local theory is developed based on a 1-D constitutive model. The method utilizes a non-local field variable in its constitutive framework with an implicit gradient formulation in order to achieve results independent of the finite element discretization. An efficient numerical approach to implement the non-local gradient-enhanced model in finite element codes is proposed. The model is used to simulate stress drop at the onset of transformation, and its performance is evaluated using different experimental data. The potential of the presented numerical approach for behavior of shape memory alloys in eliminating mesh-dependent simulations is validated by conducting various localization problems. The numerical results show that the developed model can simulate the observed unstable behaviors such as stress drop and deviation of local strain from global strain during nucleation and propagation of martensitic phase.     

A Three-Scale Model of pH-Dependent Flows and Ion Transport with Equilibrium Adsorption in Kaolinite Clays: I. Homogenization Analysis

A new three-scale model to describe the coupling between pH-dependent flows and transient ion transport including sorption phenomena in kaolinite clays is proposed. The kaolinite is characterized by three separate nano-micro and macroscopic length scales. The (micro)-scale consists of micro-pores saturated by an aqueous solution containing four monovalent ionic species (Na⁺, H⁺, Cl^?, OH^?) and charged solid particles surrounded by thin electrical double layers. The movement of the ions is governed by the Nernst-Planck equations and the influence of the double layers upon the flow is dictated by the Helmholtz–Smoluchowski slip boundary condition in the tangential velocity. In addition, sorption interface conditions for ion transport are postulated in the sense of Auriault and Lewandowska (Eur. J. Mech. A 15:681–704, 1996) to capture the immobilization of the ions in the electrical double layer and on particle surface due to protonation/deprotonation reactions. The intensity of sorption relative to diffusion effects is quantified by the Damköhler number, whose order of magnitude is estimated by invoking the nanoscopic modeling of the thin EDL based on Poisson–Boltzmann problem for the local electric potential coupled with a non-linear surface charge density with constitutive law dictated by the protonation/deprotonation reactions. The two-scale nano/micro model including sorption and slip boundary condition is homogenized to the core scale leading to a derivation of macroscopic governing equations.     

Characterization of the post-necking strain hardening behavior using the virtual fields method

The present study aims at characterizing the post-necking strain hardening behavior of three sheet metals having different hardening behavior. Standard tensile tests were performed on sheet metal specimens up to fracture and heterogeneous logarithmic strain fields were obtained from a digital image correlation technique. Then, an appropriate elasto-plastic constitutive model was chosen. Von Mises yield criterion under plane stress and isotropic hardening law were considered to retrieve the relationship between stress and strain. The virtual fields method (VFM) was adopted as an inverse method to determine the constitutive parameters by calculating the stress fields from the heterogeneous strain fields. The results show that the choice of a hardening law which can describe the hardening behavior accurately is important to derive the true stress–strain curve. Finally, post-necking hardening behavior was successfully characterized up to the initial stage of localized necking using the VFM with Swift and modified Voce laws.     

Multiscale constitutive modeling and numerical simulation of fabric material

A multiscale model for a fabric material is introduced. The model is based on the assumption that on the macroscale the fabric behaves as a continuum membrane, while on the microscale the properties of the microstructure are accounted for by a constitutive law derived by modeling a pair of overlapping crimped yarns as extensible elasticae. A two-scale finite element method is devised to solve selected boundary-value problems.     

混凝土化学-力学耦合作用的非局部损伤模型

提出了混凝土化学损伤和力学损伤的耦合模型.用损伤变量表示的本构关系模拟混凝土力学性能.分析了化学侵蚀下混凝土损伤发展过程.研究表明,应力软化造成混凝土局部损伤是结构失效的根源.局部化学损伤出现的时候,平衡微分方程不能满足.为了解决这个问题,采用了非局部损伤模型.试验和有限元计算结果表明,混凝土化学-力学耦合作用的非局部损伤模型能够较好地描述受化学侵蚀与荷载共同作用的损伤状态.     

Nonproportional loading effects on elastic-plastic behavior based on stress resultants for thin plates of strain hardening materials

A stress resultant constitutive law in rate form is constructed for power-law hardening materials. The change of plate thickness is considered in the constitutive law. The elastic-plastic behavior of a plate element based on the stress resultant constitutive law under uniaxial combined tension and bending is determined under a limited number of nonproportional and unloading paths. The results based on the stress resultant constitutive law and the through-the-thickness integration method are compared within the context of both the small-strain and finite deformation approaches. The results indicate that the selection of the normalized equivalent stress resultant and the corresponding work-conjugate normalized equivalent generalized strain is appropriate for describing the hardening behavior in the stress resultant space. However, the hardening rule in a power law form must be modified for low hardening materials at large plastic deformation when finite deformation effects are considered.     

Onset and dynamic shallow flow of a viscoplastic fluid on a plane slope

The shallow flow of a viscoplastic fluid on a plane slope is investigated. The material constitutive law may include two plasticity (flow/no-flow) criteria: Von-Mises (Bingham fluid) and Drucker–Prager (Mohr–Coulomb). Coulomb frictional conditions on the bottom are included, which implies that the shear stresses are small and the extensional and in-plane shear stress becomes important. A stress analysis is used to deduce a Saint-Venant type asymptotic model for small thickness aspect ratio. The 2D (asymptotic) constitutive law, which relates the average plane stresses to the horizontal rate of deformation, is obtained from the initial (3D) viscoplastic model.The “safety factor” (limit load) is introduced to model the link between the yield limit (material resistance) and the external forces distribution which could generate or not the shallow flow of the viscoplastic fluid. The DVDS method, developed in [I.R. Ionescu, E. Oudet, Discontinuous velocity domain splitting method in limit load analysis, Int. J. Solids Struct., doi:10.1016/j.ijsolstr.2010.02.012], is used to evaluate the safety factor and to find the onset of an avalanche flow.A mixed finite element and finite volume strategy is developed. Specifically, the variational inequality for the velocity field is discretized using the finite element method while a finite volume method is adopted for the hyperbolic equation related to the thickness variable. To solve the velocity problem, a decomposition–coordination formulation coupled with the augmented lagrangian method, is adapted here for the asymptotic model. The finite volume method makes use of an upwind strategy in the choice of the flux.Several boundary value problems, modeling shallow dense avalanches, for different visoplastic laws are selected to illustrate the predictive capabilities of the model.     

The creep behavior of simple structures with a stress range-dependent constitutive model

High temperature design remains an issue for many components in a variety of industries. Although finite element analysis for creep is now an accessible tool, most analyses outside the research domain use long standing and very simple constitutive models—in particular based on a power law representation. However, for many years, it has been known that a range of materials exhibit different behaviors at low and moderate stress levels. Recently, studies of the behavior of high temperature structures with such a stress range-dependent constitutive model have begun to emerge. The aim of this paper is to examine further the detailed behavior of simple structures with a modified power law constitutive model in order to instigate a deeper understanding of such a constitutive model’s effect on stress and deformation and the implications for high temperature design. The structures examined are elementary—a beam in bending and a pressurized thick cylinder—but have long been used to demonstrate the basic characteristics of nonlinear creep.     

Non-local continuum mechanics and fractional calculus

The present work introduces fractional calculus into the continuum mechanics area describing non-local constitutive relations. Considering a one-dimensional body and assuming total stored energy depending not only upon the local strain but also upon a fractional derivative of the stain, an elastic model with non-local stress–strain behavior is introduced. Fractional calculus provides a natural framework for describing non-local constitutive relations and requires no assumptions for the interval of non-local influence. Furthermore, the proposed method works in finite intervals contrary to the existing theories requiring infinite domains.     

Thermo-Chemo-Electro-Mechanical Formulation of Saturated Charged Porous Solids

A thermo-chemo-electro-mechanical formulation of quasi-static finite deformation of swelling incompressible porous media is derived from a mixture theory including the volume fraction concept. The model consists of an electrically charged porous solid saturated with an ionic solution. Incompressible deformation is assumed. The mixture as a whole is assumed locally electroneutral. Different constituents following different kinematic paths are defined: solid, fluid, anions, cations and neutral solutes. Balance laws are derived for each constituent and for the mixture as a whole. A Lagrangian form of the second law of thermodynamics for incompressible porous media is used to derive the constitutive restrictions of the medium. The material properties are shown to be contained in one strain energy function and a matrix of frictional tensors. A principle of reversibility results from the constitutive restrictions. Existing theories of swelling media should be evaluated with respect to this principle.     

Dwell fatigue crack nucleation model based on crystal plasticity finite element simulations of polycrystalline titanium alloys

In this paper a crystal plasticity-based crack nucleation model is developed for polycrystalline microstructures undergoing cyclic dwell loading. The fatigue crack nucleation model is developed for dual-phase titanium alloys admitting room temperature creep phenomenon. It is a non-local model that accounts for the cumulative effect of slip on multiple slip systems, and involves evolving mixed-mode stresses in the grain along with dislocation pileups in contiguous grains. Rate dependent, highly anisotropic behavior causes significant localized stress concentration that increases with loading cycles. The crystal plasticity finite element (CPFE) model uses rate and size-dependent anisotropic elasto-crystal plasticity constitutive model to account for these effects. Stress rise in the hard grain is a consequence of time-dependent load shedding in adjacent soft grains, and is the main cause of crack nucleation in the polycrystalline titanium microstructure. CPFE simulation results are post-processed to provide inputs to the crack nucleation model. The nucleation model is calibrated and satisfactorily validated using data available from acoustic microscopy experiments for monitoring crack evolution in dwell fatigue experiments.     

Modelling and experimental characterisation of the Lüders strain in complex loaded ferritic steel compact tension specimens

The use of 3D digital image correlation (DIC) has been used to capture the Lüders strains in a low carbon ferritic steel. Results were used to calibrate and compare with finite element (FE) results based on a constitutive plasticity model, capable of yield drop behaviour and therefore Lüders strains, by Zhang et al. (2001). Tensile tests were carried out at several strain rates to characterise the material behaviour. The results of these tests were used to fit parameters in the constitutive plasticity model. The FE model was then tested on a complex loading situation of in-plane compression of a compact tension (CT) specimen. The FE model predicts the shape and formation of the Lüders bands well. This FE model, using Zhang’s constitutive plasticity model, was used to predict the residual stress profile to compare with standard elastic–plastic isotropic hardening models with no yield point. The yield point reduced both the predicted peak tensile stress, at the notch root, and the amount of plastic strain. In regions where the plastic strain was of a similar size to the Lüders strain the stress profiles were perturbed from flat profiles predicted by the standard elastic–plastic hardening models.