Second-order theory for the effective behavior and field fluctuations in viscoplastic polycrystals

A recently developed “second-order” homogenization procedure (Ponte Castañeda (J. Mech. Phys. Solids 50 (2002a, b) 737, 759)) is extended to viscoplastic polycrystals and applied to compute the effective response of a certain special class of isotropic polycrystals. The method itself reduces to a simple expression requiring the computation of the averages of the stress field and the covariances of its fluctuations over the various grain orientations in an optimally selected “linear comparison polycrystal”. Therefore, the method not only allows the determination of the effective behavior of the polycrystal, but as a byproduct also yields information on the heterogeneity of the stress and strain-rate fields within the polycrystal. An application is given for a model 2-dimensional, isotropic polycrystal with power-law behavior for the constituent grains. The resulting predictions for the effective behavior are found to satisfy sharp bounds available from the literature and to be consistent with the results of recent numerical simulations. The associated averages and fluctuations of the stresses and strain rates are found to depend strongly on the strain-rate sensitivity (i.e., nonlinearity) and grain anisotropy. In particular, the stress and strain-rate fluctuations were found to grow and become strongly anisotropic with increasing values of the nonlinearity and grain anisotropy parameters.     

Macroscopic behavior and field fluctuations in viscoplastic composites: Second-order estimates versus full-field simulations

This work presents a combined numerical and theoretical study of the effective behavior and statistics of the local fields in random viscoplastic composites. The full-field numerical simulations are based on the fast Fourier transform (FFT) algorithm [Moulinec, H., Suquet, P., 1994. A fast numerical method for computing the linear and nonlinear properties of composites. C. R. Acad. Sci. Paris II 318, 1417-1423], while the theoretical estimates follow from the so-called “second-order” procedure [Ponte Castañeda, P., 2002a. Second-order homogenization estimates for nonlinear composites incorporating field fluctuations: I—Theory. J. Mech. Phys. Solids 50, 737-757]. Two-phase fiber composites with power-law phases are considered in detail, for two different heterogeneity contrasts corresponding to fiber-reinforced and fiber-weakened composites. Both the FFT simulations and the corresponding “second-order” estimates show that the strain-rate fluctuations in these systems increase significantly, becoming progressively more anisotropic, with increasing nonlinearity. In fact, the strain-rate fluctuations tend to become unbounded in the limiting case of ideally plastic composites. This phenomenon is shown to correspond to the localization of the strain field into bands running through the composite along certain preferred orientations determined by the loading conditions. The bands tend to avoid the fibers when they are stronger than the matrix, and to pass through the fibers when they are weaker than the matrix. In general, the “second-order” estimates are found to be in good agreement with the FFT simulations, even for high nonlinearities, and they improve, often in qualitative terms, on earlier nonlinear homogenization estimates. Thus, it is demonstrated that the “second-order” method can be used to extract accurate information not only for the macroscopic behavior, but also for the anisotropic distribution of the local fields in nonlinear composites.     

Second-order homogenization estimates for nonlinear composites incorporating field fluctuations: II—applications

In Part I of this work, an improved “second-order” homogenization theory was developed. This new theory makes use of generalized secant moduli that are intermediate between the standard secant and tangent moduli of the nonlinear phases, and that depend not only on the averages, or first-moments of the fields in the phases, but also on the second-moments of the field fluctuations, or phase covariance tensors. In this article, the theory, which is known to be exact to second-order in the heterogeneity contrast, is applied to the special cases of rigidly reinforced and porous materials. These are cases corresponding to infinite contrast where fairly explicit analytical expressions of the Hashin-Shtrikman and self-consistent-type may be generated for nonlinear composites. The results show that the new theory improves on the earlier theory (Ponte Castañeda, J. Mech. Phys. Solids 44 (1996) 827) in at least two ways. First, the new theory satisfies rigorous bounds, even near the percolation limit, where field fluctuations become important, and the earlier second-order theory had been found to fail. Second, the new theory predicts fully compressible behavior for porous materials with an incompressible matrix phase, where the earlier theory had also been found to fail. In addition, the new estimates are found to be in better agreement with numerical simulations available from the literature.     

Second-order homogenization estimates for nonlinear composites incorporating field fluctuations: I—theory

This paper is concerned with the development of an improved second-order homogenization method incorporating field fluctuations for nonlinear composite materials. The idea is to combine the desirable features of two different, earlier methods making use of “linear comparison composites”, the properties of which are chosen optimally from suitably designed variational principles. The first method (Ponte Castañeda, J. Mech. Phys. Solids 39 (1991) 45) makes use of the “secant” moduli of the phases, evaluated at the second moments of the strain field over the phases, and delivers bounds, but these bounds are only exact to first-order in the heterogeneity contrast. The second method (Ponte Castañeda, J. Mech. Phys. Solids 44 (1996) 827) makes use of the “tangent” moduli, evaluated at the phase averages (or first moments) of the strain field, and yields estimates that are exact to second-order in the contrast, but that can violate the bounds in some special cases. These special cases turn out to correspond to situations, such as percolation phenomena, where field fluctuations, which are captured less accurately by the second-order method than by the bounds, become important. The new method delivers estimates that are exact to second-order in the contrast, making use of generalized secant moduli incorporating both first- and second-moment information, in such a way that the bounds are never violated. Some simple applications of the new theory are given in Part II of this work.     

Computationally efficient database and spectral interpolation for fully plastic Taylor-type crystal plasticity calculations of face-centered cubic polycrystals

A new computationally efficient database approach to fully plastic Taylor-type crystal plasticity calculations is presented in this paper. In particular, we explore strategies that circumvent the need to repeatedly solve sets of highly non-linear, extremely stiff, algebraic equations with poor convergence characteristics that are inherent to these calculations. The suggested strategies consist of computing only once all of the needed variables in crystal plasticity calculations, storing them, and retrieving the values of interest according to the need in any specific simulation. An algorithm is presented here that facilitates this approach, and involves local spectral interpolation using discrete fourier transform (DFT) methods. The approach described here results in major improvements in the computational time over both the conventional crystal plasticity calculations and our previously developed spectral approach using generalized spherical harmonics (GSH). Details of this new approach are described and validated in this paper through a few example case studies.     

The influence of particle fluctuations on the average rotation in an idealized granular material

Granular materials are a simple example of a Cosserat continuum in that the average particle rotations may differ from the rotation of the average deformation. In the absence of couple stress, this difference insures that the stress is symmetric. This has been shown in theories that assume that the displacement at particle contacts is given by the average deformation and spin. Here, we indicate how the difference between the average rotation of the particles and the average rotation of the deformation can be determined when fluctuations in particle displacements and rotations satisfy local force and moment equilibria in a random aggregate of identical spheres. The predictions based on this model are in better agreement with numerical simulation than that given by the simple average strain theory.     

Multiscale modeling of plasticity based on embedding the viscoplastic self-consistent formulation in implicit finite elements

This paper is concerned with the multiscale simulation of plastic deformation of metallic specimens using physically-based models that take into account their polycrystalline microstructure and the directionality of deformation mechanisms acting at single-crystal level. A polycrystal model based on self-consistent homogenization of single-crystal viscoplastic behavior is used to provide a texture-sensitive constitutive response of each material point, within a boundary problem solved with finite elements (FE) at the macroscale. The resulting constitutive behavior is that of an elasto-viscoplastic material, implemented in the implicit FE code ABAQUS. The widely-used viscoplastic selfconsistent (VPSC) formulation for polycrystal deformation has been implemented inside a user-defined material (UMAT) subroutine, providing the relationship between stress and plastic strain-rate response. Each integration point of the FE model is considered as a polycrystal with a given initial texture that evolves with deformation. The viscoplastic compliance tensor computed internally in the polycrystal model is in turn used for the minimization of a suitable-designed residual, as well as in the construction of the elasto-viscoplastic tangent stiffness matrix required by the implicit FE scheme.Uniaxial tension and simple shear of an FCC polycrystal have been used to benchmark the accuracy of the proposed implicit scheme and the correct treatment of rotations for prediction of texture evolution. In addition, two applications are presented to illustrate the potential of the multiscale strategy: a simulation of rolling of an FCC plate, in which the model predicts the development of different textures through the thickness of the plate; and the deformation under 4-point bending of textured HCP bars, in which the model captures the dimensional changes associated with different orientations of the dominant texture component with respect to the bending plane.     

Necking in glassy polymers: Effects of intrinsic anisotropy and structural evolution kinetics in their viscoplastic flow

Two recently proposed developments of the Glass–Rubber constitutive model for glassy polymers treat the viscoplastic deformation as intrinsically anisotropic, and incorporate the kinetics of structural evolution. These features enable the model to capture better the distinctive features of glassy polymers’ constitutive response: post-yield strain-softening and strain-hardening and effects of pre-existing molecular orientation. They have been combined to form a new variant of the model, and the consequences for necking have been explored. Uniaxial extension of prismatic bars was simulated using the finite element method, employing a numerical implementation of the new model, with material parameters of polystyrene. Strain localization predicted with the new model was found to be systematically retarded as compared to predictions with the original (intrinsically isotropic) version of the model, for the same conditions. In particular, the effect of frozen-in molecular orientation was examined. This was found to retard strain localization for stretching parallel to the orientation direction, for both models. But the localization predicted with the new model was always significantly less pronounced than with the original model. Indeed, for sufficiently high pre-orientation (e.g. a uniaxial stretch of 2.2), localization could be effectively prevented with the new model, under conditions when otherwise failure by necking is predicted. Such results can all be explained in terms of a linear stability analysis. They suggest that all previous simulations of necking in glassy polymers made using intrinsically isotropic representations of polymer viscoplasticity may have over-predicted the rate of strain localization.     

A two-dimensional finite element method for simulating the constitutive response and microstructure of polycrystals during high temperature plastic deformation

We describe a finite element method designed to model the mechanisms that cause superplastic deformation. Our computations account for grain boundary sliding, grain boundary diffusion, grain boundary migration, and surface diffusion, as well as thermally activated dislocation creep within the grains themselves. Front tracking and adaptive mesh generation are used to follow changes in the grain structure. The method is used to solve representative boundary value problems to illustrate its capabilities.     

Stationary variational estimates for the effective response and field fluctuations in nonlinear composites

This paper presents a variational method for estimating the effective constitutive response of composite materials with nonlinear constitutive behavior. The method is based on a stationary variational principle for the macroscopic potential in terms of the corresponding potential of a linear comparison composite (LCC) whose properties are the trial fields in the variational principle. When used in combination with estimates for the LCC that are exact to second order in the heterogeneity contrast, the resulting estimates for the nonlinear composite are also guaranteed to be exact to second-order in the contrast. In addition, the new method allows full optimization with respect to the properties of the LCC, leading to estimates that are fully stationary and exhibit no duality gaps. As a result, the effective response and field statistics of the nonlinear composite can be estimated directly from the appropriately optimized linear comparison composite. By way of illustration, the method is applied to a porous, isotropic, power-law material, and the results are found to compare favorably with earlier bounds and estimates. However, the basic ideas of the method are expected to work for broad classes of composites materials, whose effective response can be given appropriate variational representations, including more general elasto-plastic and soft hyperelastic composites and polycrystals.     

Onset of necking in electro-magnetically formed rings

The electromagnetic forming (EMF) process is an attractive manufacturing technique, which uses electromagnetic (Lorentz) body forces to fabricate metallic parts. One of the many advantages of EMF is the considerable ductility increase observed in several metals, with aluminum featuring prominently among them. The quantitative explanation of this phenomenon is the primary motivation of this work.To study the ductility increase due to EMF, an aluminum ring is placed outside a fixed coil, which is connected to a capacitor. Upon the capacitor's discharge, the time varying current in the coil induces a larger current in the ring specimen and the resulting Lorentz forces make it expand. The coupled coil-ring electromagnetic and thermomechanical problem is solved, using an experimentally obtained constitutive model for a particular aluminum alloy. Our results show that for realistic imperfections, the EMF ring starts necking at strains about six times larger than its static counterpart, as observed experimentally. This study establishes the importance of solving the fully coupled electromagnetic and thermomechanical problem and provides insight on how different constitutive parameters influence ductility in an EMF process.     

The dynamic growth of a single void in a viscoplastic material under transient hydrostatic loading

We have examined the problem of the dynamic growth of a single spherical void in an elastic-viscoplastic medium, with a view towards addressing a number of problems that arise during the dynamic failure of metals. Particular attention is paid to inertial, thermal and rate-dependent effects, which have not previously been thoroughly studied in a combined setting. It is shown that the critical stress for unstable growth of the void in the quasistatic case is strongly affected by the thermal softening of the material (in adiabatic calculations). Thermal softening has the effect of lowering the critical stress, and has a stronger influence at high strain hardening exponents. It is shown that the thermally diffusive case for quasistatic void growth in rate-dependent materials is strongly affected by the initial void size, because of the length scale introduced by the thermal diffusion. The effects of inertia are quantified, and it is demonstrated that inertial effects are small in the early stages of void growth and are strongly dependent on the initial size of the void and the rate of loading. Under supercritical loading for the inertial problem, voids of all sizes achieve a constant absolute void growth rate in the long term. Inertia first impedes, but finally promotes dynamic void growth under a subcritical loading. For dynamic void growth, the effect of rate-hardening is to reduce the rate of void growth in comparison to the rate-independent case, and to reduce the final relative void growth achieved.     

Experimental investigation and modeling of non-monotonic creep behavior in polymers

The deformation behavior of two unfilled engineering thermoplastics, ultra high molecular weight polyethylene (UHMWPE) and polycarbonate (PC), has been investigated in creep test conditions. It has been found that a loading history (prior to the creep test) comprising of loading to a maximum stress or strain value followed by partial unloading to arrive at the target stress value can greatly modify the strain-time behavior. Under such a test protocol, while the expected increase in strain during creep (constant tensile load) is observed, at relatively low creep stresses specimens have also demonstrated a monotonic decrease in strain. In an intermediate stress range, specimens have demonstrated time dependent behavior comprising of a transition from decreasing to increasing strain during creep in tension. This paper presents experimental results to delineate these findings and explore the effect of prior strain rate on the qualitative and quantitative changes in the output (strain-time) behavior. Furthermore, modification of the viscoplasticity theory based on overstress (VBO) model into a double element configuration is introduced. These changes confer upon the model the ability to yield non-monotonic behavior in creep, and supporting simulation results have been included. These changes, therefore, allow the model to simulate strain rate sensitivity, creep, relaxation, and recovery behavior, but more importantly address the issue of non-monotonic changes in creep and relaxation when a loading history involves some degree of unloading.     

Dynamic plasticity and fracture in high density polycrystals: constitutive modeling and numerical simulation

Presented is a constitutive framework for modeling the dynamic response of polycrystalline microstructures, posed in a thermodynamically consistent manner and accounting for finite deformation, strain rate dependence of flow stress, thermal softening, thermal expansion, heat conduction, and thermoelastic coupling. Assumptions of linear and square-root dependencies, respectively, of the stored energy and flow stresses upon the total dislocation density enable calculation of the time-dependent fraction of plastic work converted to heat energy. Fracture at grain boundary interfaces is represented explicitly by cohesive zone models. Dynamic finite element simulations demonstrate the influences of interfacial separation, random crystallographic orientation, and grain morphology on the high-rate tensile response of a realistic two-phase material system consisting of comparatively brittle pure tungsten (W) grains embedded in a more ductile matrix of tungsten-nickel iron (W-Ni-Fe) alloy. Aspects associated with constitutive modeling of damage and failure in the homogenized material system are discussed in light of the computational results.     

Elastic/crystalline viscoplastic finite element analyses of single- and poly-crystal sheet deformations and their experimental verification

The elastic/crystalline viscoplastic constitutive equation, based on a newly proposed hardening-softening evolution equation, is introduced into the dynamic-explicit finite element code “Itas-Dynamic.” In the softening evolution equation, the effective distance and the angle between each slip system of a crystal are introduced to elucidate the interaction between the slip systems, which causes a decrease of dislocation density. The polycrystal sheet is modeled by Voronoi polygons, which correspond to the crystal grains; and by the selected orientations, which can relate to the texture, they are assigned to the integration points of the finite elements. We propose a direct crystal orientation assignment method, which means that each integration point of finite element has an assigned orientation, and its orientation can be rotated independently. Therefore, this inhomogeneous polycrystal model can consider the plastic induced texture development and subsequent anisotropy evolution. The parameters of the constitutive equation are identified by uni-axial tension tests carried out on single crystal sheets. Numerical results obtained for sheet tensions are compared with experimental ones to confirm the validity of our finite element code. Further, we investigate the following subjects: (1) how the initial orientation of single crystal affects slip band formation and strain localization; (2) how the grain size and particular orientations of the grain affect the strain localization in case of a polycrystal sheet. It is confirmed that the orientation of a single crystal can be related to the primary slip system and the deformation induced activation of that system, which in turn can be related to the slip band formation of the single crystal sheet. Further, in case of a polycrystal sheet, the larger the grain size, the more the strain localizes at a specific crystal, which has the particular orientation. It is confirmed through comparisons with experiments that our finite element code can predict the localization of strain in sheets and consequently can estimate the formability of sheet metals.     

Bounds and self-consistent estimates for elastic constants of random polycrystals with hexagonal, trigonal, and tetragonal symmetries

Peselnick, Meister, and Watt have developed rigorous methods for bounding elastic constants of random polycrystals based on the Hashin-Shtrikman variational principles. In particular, a fairly complex set of equations that amounts to an algorithm has been presented previously for finding the bounds on effective elastic moduli for polycrystals having hexagonal, trigonal, and tetragonal symmetries. A more analytical approach developed here, although based on the same ideas, results in a new set of compact formulas for all the cases considered. Once these formulas have been established, it is then straightforward to perform what could be considered an analytic continuation of the formulas (into the region of parameter space between the bounds) that can subsequently be used to provide self-consistent estimates for the elastic constants in all cases. This approach is very similar in spirit but differs in its details from earlier work of Willis, showing how Hashin-Shtrikman bounds and certain classes of self-consistent estimates may be related. These self-consistent estimates always lie within the bounds for physical choices of the crystal elastic constants and for all the choices of crystal symmetry considered. For cubic symmetry, the present method reproduces the self-consistent estimates obtained earlier by various authors, but the formulas for both bounds and estimates are generated in a more symmetric form. Numerical values of the estimates obtained this way are also very comparable to those found by the Gubernatis and Krumhansl coherent potential approximation (or CPA), but do not require computations of scattering coefficients.     

A Quantitative study of minimum sizes of representative volume elements of cubic polycrystals—numerical experiments

The concept of representative volume element (RVE) plays a key role in correlating the properties of microscopically heterogeneous materials with those of their macroscopically homogenized ones. However, up to now little quantitative knowledge is available about RVE scales or sizes of various engineering materials, which have been becoming a necessity due to the rapid development of, for instance, microelectromechanical systems. A new and convenient definition of the minimum RVE size is introduced. Then more than 500 kinds of cubic polycrystalline material in the planar stress state are numerically tested. The major finding from these numerical experiments is that the RVE size for the effective shear modulus (as well as the Young's modulus) depends roughly linearly upon the anisotropy degree of the single crystal, while the effective area modulus does not. For the latter observation a theoretical proof is also given. With a maximum relative error 5%, all the materials tested (with one exception) have a minimal RVE size of 20 or less times as large as the grain size.     

Electroelastic field concentrations ahead of electrodes in multilayer piezoelectric actuators: experiment and finite element simulation

The effects of applied voltage on the electroelastic field concentrations ahead of electrodes in multilayer piezoelectric actuators were examined in a combined experimental and numerical investigation. Experiments were performed to measure the strain near internal and surface electrodes at various electrical loading conditions. The finite element method was also used to solve the coupled electro-elastic boundary value problem. The strain, stress and electric displacement concentrations were calculated and a non-linear behavior induced by localized polarization switching was discussed. A comparison of strain concentration was made between experiment and simulation.