Modelling of photodegradation effect on elastic-viscoplastic behaviour of amorphous polylactic acid films

Polylactic acid (PLA) films were subjected to accelerated ultra-violet (UV) ageing. The UV irradiation leads to the alteration of the chemical structure which influences directly the mechanical response of the polymer. The chemical modification of the polymer was followed by gel permeation chromatography. Uniaxial tension tests were conducted at 50 °C and for different strain rates in order to characterize the large deformation response of PLA. The influence of UV irradiation on the alteration of the large deformation response of PLA was examined. A physically based elastic-viscoplastic model was used to describe the mechanical response of virgin PLA. The photodegradation effect was incorporated into the constitutive model to capture the stress-strain behaviour up to failure of aged PLA. To that end, the measured molecular weight was used as a direct input into the model. The model is shown to be in good agreement with experimental results over a wide range of UV irradiation doses.     

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.     

Effects of lattice misorientations on strain heterogeneities in FCC polycrystals

It is well documented that the highly heterogeneous deformation behaviour and lattice rotation typically observed within grains in a polycrystal are attributed to microstructural features such as grain structure, topology, size, etc. In this work, the effects of low- and high-angle grain boundaries on the mechanical behaviour of FCC polycrystals are investigated using a micro-mechanical model based on crystal plasticity theory. The constitutive framework relies on dislocation mechanics concepts to describe the plastic deformation behaviour of FCC metallic crystals and is validated by comparing the measured and predicted local and macroscopic deformation behaviour in a thin Al-0.5% Mg polycrystal tensile specimen containing a relatively small number of surface grains. Comparisons at the microscopic (e.g. local slip distribution) and macroscopic (e.g. average stress-strain response) levels elucidate the role of low-angle grain boundaries, which are found to have a profound effect on both the local and average deformation behaviour of FCC polycrystals with a small number of grains. However, this effect diminishes when the number of grains increases and becomes negligible in bulk polycrystals. In light of the widely accepted view that high-angle grain boundaries strongly influence the mechanical behaviour of very fine-grained metals, this work has shown that low-angle grain boundaries can also play an equally important role in the deformation behaviour of polycrystals with a relatively small number of grains.     

Multiscale strain measurements of plastically deforming polycrystalline titanium: Role of deformation heterogeneities

The purpose of this work was to characterize the spatial distribution of residual deformation at the mesoscale (a few grains) and at the macroscale (hundreds of grains) in titanium subjected to cyclic tensile loading. Using ex situ digital image correlation, we compared the axial residual strain fields obtained at optical magnifications ranging from 3.2× to 50×. To compare the results obtained at different optical magnifications, numerous images at higher magnification had to be assembled to encompass the same field-of-view observed at lower magnifications. The strain fields at the highest optical magnification revealed deformation patterns that were not detectable at lower magnifications. These deformation patterns appeared as inclined slip bands near grain boundaries and grain boundary triple points, with the bands sometimes crossing into neighboring grain interiors. Measurements made at optical magnifications greater than 10× captured an underlying deformation pattern, however, considerably more detail within grains was obtained at 50× magnification. The strain fields obtained at 10× and 50× magnifications were subsequently used to estimate the length scale of a representative volume element (RVE) based on the standard deviation of the average residual strain. The estimated RVE length scale was nearly three times the average grain diameter if extracted from the 50× results. The estimate of the RVE length scale was smaller at lower magnification which was due to a homogenizing effect caused by the low measurement resolution. Thus, care must be taken when experimentally obtaining RVE length scale estimates.     

A crystal plasticity model that incorporates stresses and strains due to slip gradients

This work is concerned with incorporating the kinematic and stress effects of excess dislocations in a constitutive model for the elastoplastic behavior of crystalline materials. The foundation of the model is a three term multiplicative decomposition of the deformation gradient in which the two classical terms of plastic and elastic deformation are included along with an additional term for long range strain due to the collective effects of excess dislocations. The long range strain is obtained from an assumed density of Volterra edge dislocations and is directly related to gradients in slip. A new material parameter emerges which is the size the region about a continuum point that contributes to long range strains.Using Hookean elasticity, the stress at a point is linearly related to the sum of the elastic plus the long range strain fields. However, the driving force for slip is postulated to be due only to the elastic stress so that the long range stress is a back stress in the constitutive relationship for plastic deformation. A consistent balance of the total deformation rate with the three proposed mechanisms of deformation leads to a set of differential equations that can be solved for the elastic stress, rotation and pressure which then implicitly defines the material state and equilibrium stress. Results from the simulation of a tapered tensile specimen demonstrate that the constitutive model exhibits isotropic and kinematic type hardening effects as well as changes in the pattern of plastic deformation and necking when compared to a material without slip gradient effects.     

A three-dimensional crystal plasticity model for duplex Ti–6Al–4V

A rate dependent crystal plasticity model for the α/β Ti–Al alloy Ti–6Al–4V with duplex microstructure is developed and presented herein. Duplex Ti–6Al–4V is a dual-phase alloy consisting of an hcp structured matrix primary α-phase and secondary lamellar α + β domains that are composed of alternating layers of secondary α laths and bcc structured residual β laths. The model accounts for distinct three-dimensional slip geometry for each phase, anisotropic and length scale dependent slip system strengths, the non-planar dislocation core structure of prismatic screw dislocations in the primary α-phase, and crystallographic texture. The model is implemented in the general purpose finite element code (ABAQUS, 2005. Ver 6.5, Hibbitt, Karlsson, and Sorensen, Inc., Pawtucket, RI) via a UMAT subroutine.     

A finite strain, finite band method for modeling ductile fracture

We present a finite deformation generalization of the finite thickness embedded discontinuity formulation presented in our previous paper [A.E. Huespe, A. Needleman, J. Oliver, P.J. Sánchez, A finite thickness band method for ductile fracture analysis, Int. J. Plasticity 25 (2009) 2349-2365]. In this framework the transition from a weak discontinuity to a strong discontinuity can occur using a single constitutive relation which is of importance in a range of applications, in particular ductile fracture, where localization typically precedes the creation of new free surface. An embedded weak discontinuity is introduced when the loss of ellipticity condition is met. The resulting localized deformation band is given a specified thickness which introduces a length scale thus providing a regularization of the post-localization response. The methodology is illustrated through several example problems emphasizing finite deformation effects including the development of a cup-cone failure in round bar tension.     

Studies of scale dependent crystal viscoplasticity models

A scale dependent crystal viscoplasticity model with a second strain gradient effect is introduced, as a simple extension of the conventional crystal plasticity theory. We confine attention to a single crystal undergoing slip on a single slip system under small strain conditions. Connections between this model and other existing theories are investigated in some detail. Furthermore, some basic predictions of the model, due to the second gradients and the material viscosity, are illustrated, using a constrained simple shear problem for a thin strip bounded by two rigid walls. The effect of viscosity on evolution of the boundary layer is examined, as well as the behavior of the thin strip undergoing reverse/cyclic shear loading, and the ability to predict plastic flow localization.     

Continuity in the plastic strain rate and its influence on texture evolution

Classical plasticity models evolve state variables in a spatially independent manner through (local) ordinary differential equations, such as in the update of the rotation field in crystal plasticity. A continuity condition is derived for the lattice rotation field from a conservation law for Burgers vector content—a consequence of an averaged field theory of dislocation mechanics. This results in a nonlocal evolution equation for the lattice rotation field. The continuity condition provides a theoretical basis for assumptions of co-rotation models of crystal plasticity. The simulation of lattice rotations and texture evolution provides evidence for the importance of continuity in modeling of classical plasticity. The possibility of predicting continuous fields of lattice rotations with sharp gradients representing non-singular dislocation distributions within rigid viscoplasticity is discussed and computationally demonstrated.     

A homogenization theory of strain gradient single crystal plasticity and its finite element discretization

In this study, a homogenization theory based on the Gurtin strain gradient formulation and its finite element discretization are developed for investigating the size effects on macroscopic responses of periodic materials. To derive the homogenization equations consisting of the relation of macroscopic stress, the weak form of stress balance, and the weak form of microforce balance, the Y-periodicity is used as additional, as well as standard, boundary conditions at the boundary of a unit cell. Then, by applying a tangent modulus method, a set of finite element equations is obtained from the homogenization equations. The computational stability and efficiency of this finite element discretization are verified by analyzing a model composite. Furthermore, a model polycrystal is analyzed for investigating the grain size dependence of polycrystal plasticity. In this analysis, the micro-clamped, micro-free, and defect-free conditions are considered as the additional boundary conditions at grain boundaries, and their effects are discussed.     

A dislocation density based crystal plasticity finite element model: Application to a two-phase polycrystalline HCP/BCC composites

We present a multiscale model for anisotropic, elasto-plastic, rate- and temperature-sensitive deformation of polycrystalline aggregates to large plastic strains. The model accounts for a dislocation-based hardening law for multiple slip modes and links a single-crystal to a polycrystalline response using a crystal plasticity finite element based homogenization. It is capable of predicting local stress and strain fields based on evolving microstructure including the explicit evolution of dislocation density and crystallographic grain reorientation. We apply the model to simulate monotonic mechanical response of a hexagonal close-packed metal, zirconium (Zr), and a body-centered cubic metal, niobium (Nb), and study the texture evolution and deformation mechanisms in a two-phase Zr/Nb layered composite under severe plastic deformation. The model predicts well the texture in both co-deforming phases to very large plastic strains. In addition, it offers insights into the active slip systems underlying texture evolution, indicating that the observed textures develop by a combination of prismatic, pyramidal, and anomalous basal slip in Zr and primarily {110}〈111〉 slip and secondly {112}〈111〉 slip in Nb.     

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 multiscale approach for modeling scale-dependent yield stress in polycrystalline metals

Modeling of scale-dependent characteristics of mechanical properties of metal polycrystals is studied using both discrete dislocation dynamics and continuum crystal plasticity. The initial movements of dislocation arc emitted from a Frank-Read type dislocation source and bounded by surrounding grain boundaries are examined by dislocation dynamics analyses system and we find the minimum resolved shear stress for the FR source to emit at least one closed loop. When the grain size is large enough compared to the size of FR source, the minimum resolved shear stress levels off to a certain value, but when the grain size is close to the size of the FR source, the minimum resolved shear stress shows a sharp increase. These results are modeled into the expression of the critical resolved shear stress of slip systems and continuum mechanics based crystal plasticity analyses of six-grained polycrystal models are made. Results of the crystal plasticity analyses show a distinct increase of macro- and microscopic yield stress for specimens with smaller mean grain diameter. Scale-dependent characteristics of the yield stress and its relation to some control parameters are discussed.     

Coupling between experimental measurements and polycrystal finite element calculations for micromechanical study of metallic materials

This paper presents a methodology for multiscale coupling between the morphology and texture of a microstructure as has been characterised experimentally, and the results of mechanical strain field analysis. This methodology is based on a coupling between experimental characterisation of the microstructure, in situ and/or ex situ mechanical tests, local strain field measurements performed at the grain scale, and finite element simulations. First, with orientation imaging microscopy, a map of the microstructure is generated that can be meshed. Then, finite element calculations are carried out on this mesh, using a constitutive law which takes into account the crystallographic orientation of each grain, as has been determined by the orientation imaging itself. These numerical results are then compared to the experimental strain field as obtained by digital image correlation at the scale of the grains.     

A finite strain model of stress, diffusion, plastic flow, and electrochemical reactions in a lithium-ion half-cell

We formulate the continuum field equations and constitutive equations that govern deformation, stress, and electric current flow in a Li-ion half-cell. The model considers mass transport through the system, deformation and stress in the anode and cathode, electrostatic fields, as well as the electrochemical reactions at the electrode/electrolyte interfaces. It extends existing analyses by accounting for the effects of finite strains and plastic flow in the electrodes, and by exploring in detail the role of stress in the electrochemical reactions at the electrode-electrolyte interfaces. In particular, we find that that stress directly influences the rest potential at the interface, so that a term involving stress must be added to the Nernst equation if the stress in the solid is significant. The model is used to predict the variation of stress and electric potential in a model 1-D half-cell, consisting of a thin film of Si on a rigid substrate, a fluid electrolyte layer, and a solid Li cathode. The predicted cycles of stress and potential are shown to be in good agreement with experimental observations.     

Computational aspects in finite strain plasticity analysis of geotechnical materials

This paper presents a framework to describe the constitutive behaviour of geotechnical materials in the context of multiplicative finite strain. A suitable energy function is chosen allowing the hyperelastic response to be energy conserving. The corresponding tangent modulus is derived to ensure quadratic rates of convergence of the Newton–Raphson procedure in the finite element solution. Standard element tests are given to demonstrate the performance of the algorithms developed.     

Analyzing the orientation dependence of stresses in polycrystals using vertices of the single crystal yield surface and crystallographic fibers of orientation space

The influence of the polygonal geometry of the restricted slip-associated yield surface on the distribution of stresses over a polycrystalline aggregate is examined. The vertices of the yield surface (stress states corresponding to polyslip) are grouped according to symmetries imposed by crystal structure. A measure of coaxiality between crystal stresses and yield surface vertex stresses is used to quantify the proximity of the stress in each crystal to a yield surface vertex. It is shown that for prescribed stress states, crystal stresses align more closely with certain families of vertices than with others and this relation between crystal and vertex stresses is found to depend on crystallographic fibers. Using this information, the stress distributions from finite element simulations of face centered cubic polycrystals are analyzed for different stress states ranging from uniaxial to balanced biaxial. Over the fundamental region of orientations, the propensity for the stress to align with a vertex is demonstrated. Further, the stresses in elements contributing to certain crystallographic fibers are shown to favor the vertex families aligned with those fibers. The implications of these results on mechanical behaviors, especially with respect to those observed in diffraction experiments, are discussed.     

X-ray microdiffraction and strain gradient crystal plasticity studies of geometrically necessary dislocations near a Ni bicrystal grain boundary

We compare experimental measurements of inhomogeneous plastic deformation in a Ni bicrystal with crystal plasticity simulations. Polychromatic X-ray microdiffraction, orientation imaging microscopy and scanning electron microscopy, were used to characterize the geometrically necessary dislocation distribution of the bicrystal after uniaxial tensile deformation. Changes in the local crystallographic orientations within the sample reflect its plastic response during the tensile test. Elastic strain in both grains increases near the grain boundary. Finite element simulations were used to understand the influence of initial grain orientation and structural inhomogeneities on the geometrically necessary dislocations arrangement and distribution and to understand the underlying materials physics.