Self-consistent modeling of large plastic deformation, texture and morphology evolution in semi-crystalline polymers

A self-consistent model for semi-crystalline polymers is proposed to study their constitutive behavior, texture and morphology evolution during large plastic deformation. The material is considered as an aggregate of composite inclusions, each representing a stack of crystalline lamellae with their adjacent amorphous layers. The deformation within the inclusions is volume-averaged over the phases. The interlamellar shear is modeled as an additional slip system with a slip direction depending on the inclusion's stress. Hardening of the amorphous phase due to molecular orientation and, eventually, coarse slip, is introduced via Arruda-Boyce hardening law for the corresponding plastic resistance. The morphology evolution is accounted for through the change of shape of the inclusions under the applied deformation gradient. The overall behavior is obtained via a viscoplastic tangent self-consistent scheme. The model is applied to high density polyethylene (HDPE). The stress-strain response, texture and morphology changes are simulated under different modes of straining and compared to experimental data as well as to the predictions of other models.     

Role of discrete intra-granular slip bands on the strain-hardening of polycrystals

This work investigates a new micromechanical modeling of polycrystal plasticity, accounting slip bands for physical plastic heterogeneities considered as periodically distributed within grains. These intra-granular plastic heterogeneities are modeled by parallel flat ellipsoidal sub-domains, each of them may have a distinct uniform plastic slip. To capture the morphology of slip bands occurring in plastically deforming polycrystals, these interacting sub-domains are considered as oblate spheroids periodically distributed and constrained by spherical grain boundaries. In this paper, we focus the study on the influences of internal length scale parameters related to grain size, spatial period and thickness of slip bands on the overall material’s behavior. In a first part, the Gibbs free energy accounting for elastic interactions between plastic heterogeneities is calculated thanks to the Green function’s method in the case of an isolated spherical grain with plastic strain occurring only in slip bands embedded in an infinite elastic matrix. In a second part, the influence of discrete periodic distributions of intra-granular slip bands on the polycrystal’s behavior is investigated considering an aggregate with random crystallographic orientations. When the spatial period of slip bands is on the same order as the grain radius, the polycrystal’s mechanical behavior is found strongly dependent on the ratio between the spatial period of slip bands and the grain size, as well as the ratio between the slip band thickness and the grain size, which cannot be captured by classic length scale independent Eshelby-based micromechanics.     

Crystal plasticity analysis of texture development in magnesium alloy during extrusion

The texture development mechanism during the extrusion of magnesium alloy is investigated by experimental observation and numerical analysis. First, we perform a finite element analysis of a full extrusion process using a phenomenological constitutive equation, and it is confirmed that the loading condition of the extrusion process near the central axis of the billet is approximated by an equi-biaxial compression mode. Then, the equi-biaxial compression problem is adopted as a simplified boundary value problem to be solved using a crystal plasticity model to clarify the detailed texture development mechanism during the extrusion process. The crystal plasticity analysis of equi-biaxial compression successfully reproduces the texture development from an initial random texture to the final experimentally observed texture. The effects of the deformation modes (i.e. slip and twinning systems) implemented in the calculation and the reference stress ratio of basal to nonbasal slip systems on texture development are studied in detail. Finally, the mechanism of texture development during the extrusion process is discussed in terms of the lattice rotation caused by the activated slip systems.     

Integration of self-consistent polycrystal plasticity with dislocation density based hardening laws within an implicit finite element framework: Application to low-symmetry metals

We present an implementation of the viscoplastic self-consistent (VPSC) polycrystalline model in an implicit finite element (FE) framework, which accounts for a dislocation-based hardening law for multiple slip and twinning modes at the micro-scale grain level. The model is applied to simulate the macro-scale mechanical response of a highly anisotropic low-symmetry (orthorhombic) crystal structure. In this approach, a finite element integration point represents a polycrystalline material point and the meso-scale mechanical response is obtained by the mean-field VPSC homogenization scheme. We demonstrate the accuracy of the FE-VPSC model by analyzing the mechanical response and microstructure evolution of α-uranium samples under simple compression/tension and four-point bending tests. Predictions of the FE-VPSC simulations compare favorably with experimental measurements of geometrical changes and microstructure evolution. Specifically, the model captures accurately the tension–compression asymmetry of the material associated with twinning, as well as the rigidity of the material response along the hard-to-deform crystallographic orientations.     

Assessment of crystal plasticity based calculation of the lattice spin of polycrystalline metals for FE implementation

When texture is incorporated in the finite element simulation of a metal forming process, much computer time can be saved by replacing continuous texture and corresponding yield locus updates by intermittent updates after strain intervals of e.g. 20%. The hypothesis that the evolution of the anisotropic properties of a polycrystalline material during such finite interval of plastic deformation can be modelled by just rotating the initial texture instead of continuously updating it by means of a polycrystal deformation model is tested in this work. Two spins for rotating the frame have been assessed: the classical rigid body spin and a crystal plasticity based “Mandel spin” (calculated from the rotated initial texture) which is the average of the spins of all the crystal lattices of the polycrystal. Each of these methods was used to study the evolution of the yield locus and the r-value distribution during the 20% strain interval. The results were compared to those obtained by simulating the texture evolution continuously using a polycrystal deformation model. When the texture was not updated during deformation, it was found that for most initial textures the Mandel spin does not perform better than the rigid body spin, except for some special initial textures for which the Mandel spin is much better. The latter ones are textures which are almost stable for the corresponding strain mode. When the texture was updated after each strain interval of e.g. 20% the Mandel spin performed much better than the rigid body spin.     

Modelling of texture evolution in metals accounting for lattice reorientation due to twinning

Twinning has been incorporated into a crystal plasticity model with the regularized Schmid law. In order to account for the appearance of twin-related orientations, a new probabilistic twin reorientation scheme that maintains the number of reoriented grains consistent with the accumulated deformation by twinning within the polycrystalline element, has been developed. A hardening rule describing slip–twin interactions has been also proposed. Model predictions concerning material response and texture evolution have been analyzed for fcc materials of low stacking fault energy.     

Homogenization of inelastic solid materials at finite strains based on incremental minimization principles. Application to the texture analysis of polycrystals

The paper presents new continuous and discrete variational formulations for the homogenization analysis of inelastic solid materials undergoing finite strains. The point of departure is a general internal variable formulation that determines the inelastic response of the constituents of a typical micro-structure as a generalized standard medium in terms of an energy storage and a dissipation function. Consistent with this type of finite inelasticity we develop a new incremental variational formulation of the local constitutive response, where a quasi-hyperelastic micro-stress potential is obtained from a local minimization problem with respect to the internal variables. It is shown that this local minimization problem determines the internal state of the material for finite increments of time. We specify the local variational formulation for a distinct setting of multi-surface inelasticity and develop a numerical solution technique based on a time discretization of the internal variables. The existence of the quasi-hyperelastic stress potential allows the extension of homogenization approaches of finite elasticity to the incremental setting of finite inelasticity. Focussing on macro-deformation-driven micro-structures, we develop a new incremental variational formulation of the global homogenization problem for generalized standard materials at finite strains, where a quasi-hyperelastic macro-stress potential is obtained from a global minimization problem with respect to the fine-scale displacement fluctuation field. It is shown that this global minimization problem determines the state of the micro-structure for finite increments of time. We consider three different settings of the global variational problem for prescribed displacements, non-trivial periodic displacements and prescribed stresses on the boundary of the micro-structure and develop numerical solution methods based on a spatial discretization of the fine-scale displacement fluctuation field. Representative applications of the proposed minimization principles are demonstrated for a constitutive model of crystal plasticity and the homogenization problem of texture analysis in polycrystalline aggregates.     

Study of lattice strains in magnesium alloy AZ31 based on a large strain elastic-viscoplastic self-consistent polycrystal model

The recently developed large strain elastic visco-plastic self-consistent (EVPSC) model, which incorporates both slip and twinning deformation mechanisms, is used to study the lattice strain evolution in extruded magnesium alloy AZ31 under uniaxial tension and compression. The results are compared against in-situ neutron diffraction measurements done on the same alloy. For the first time, the effects of stress relaxation and strain creep on lattice strain measurements in respectively displacement controlled and load controlled in-situ tests are numerically assessed. It is found that the stress relaxation has a significant effect on the lattice strain measurements. It is also observed that although the creep does not significantly affect the trend of the lattice strain evolution, a better agreement with the experiments is found if creep is included in the simulations.     

Stress integration method for a nonlinear kinematic/isotropic hardening model and its characterization based on polycrystal plasticity

Sheet metal forming processes generally involve non-proportional strain paths including springback, leading to the Bauschinger effect, transient hardening, and permanent softening behavior, that can be possibly modeled by kinematic hardening laws. In this work, a stress integration procedure based on the backward-Euler method was newly derived for a nonlinear combined isotropic/kinematic hardening model based on the two-yield’s surfaces approach. The backward-Euler method can be combined with general non-quadratic anisotropic yield functions and thus it can predict accurately the behavior of aluminum alloy sheets for sheet metal forming processes. In order to characterize the material coefficients, including the Bauschinger ratio for the kinematic hardening model, one element tension–compression simulations were newly tried based on a polycrystal plasticity approach, which compensates extensive tension and compression experiments. The developed model was applied for a springback prediction of the NUMISHEET’93 2D draw bend benchmark example.     

Incorporation of twinning into a crystal plasticity finite element model: Evolution of lattice strains and texture in Zircaloy-2

A crystal plasticity finite element code is developed to model lattice strains and texture evolution of HCP crystals. The code is implemented to model elastic and plastic deformation considering slip and twinning based plastic deformation. The model accounts for twinning reorientation and growth. Twinning, as well as slip, is considered to follow a rate dependent formulation. The results of the simulations are compared to previously published in situ neutron diffraction data. Experimental results of the evolution of the texture and lattice strains under uniaxial tension/compression loading along the rolling, transverse, and normal direction of a piece of rolled Zircaloy-2 are compared with model predictions. The rate dependent formulation introduced is capable of correctly capturing the influence of slip and twinning deformation on lattice strains as well as texture evolution.     

Effect of texture smearing on the anisotropy of cleavage-stress of metals and alloys

The effect of crystallographic texture smearing on the anisotropy of fracture stress of metals is analyzed. It is found that texture smearing leads to an appreciable decrease in the value of the coefficient of cleavage-stress anisotropy compared with that for metals with very sharp textures. The magnitude of this effect depends on the initial plastic strain (that depends on the breadth of texture component) and the level of stress triaxiality.     

Mean-field homogenization of elasto-viscoplastic composites based on a general incrementally affine linearization method

We propose a general formulation – which we believe to be new – for the mean-field homogenization of inclusion-reinforced elasto-viscoplastic composites assuming small strains. Our proposal is based on an interplay between constitutive equations and numerical algorithms, and the key ideas behind it are the following. The evolution equations for inelastic strain and internal variables at the beginning of each time interval are linearized around the ending time of the same interval. The linearized equations are then numerically integrated using a fully implicit backward Euler scheme. The obtained algebraic equations lead to an incrementally affine stress–strain relation which involves two important terms. The first one is the algorithmic tangent operator, obtained by consistent linearization of the time discretized constitutive equations. The second term is a new one and called an affine strain increment. The proposal leads to thermoelastic-like relations directly in the time domain, and not in the Laplace–Carson (L–C) one. There is no need for viscoelastic-type integral rewriting of the evolution equations, for L–C transforms, or for numerical inversion back from L–C to time domains. The proposed method can be readily applied to sophisticated elasto-viscoplastic models with an arbitrary set of scalar or tensor internal variables, and is valid for multi-axial, non-monotonic and non-proportional loading histories. The theory is applied in detail to a well-known constitutive model, and verified against finite element simulations of representative volume elements or unit cells, for a number of composite materials.     

On the uniqueness of a rate-independent plasticity model for single crystals

This paper presents the uniqueness and existence conditions for a rate-independent plasticity model for single crystals under a general stress state. The model is based on multiple slips on three-dimensional slip systems. The uniqueness condition for the plastic slips in a single crystal with nonlinear hardening is derived using the implicit function theorem. The uniqueness condition is the non-singularity of a matrix defined by the Schmid tensors, the elasticity, and the hardening rates of the slip systems. When this matrix becomes singular, the limitations on the loading paths that can be accommodated by the active slip systems (i.e., the existence conditions) are also given explicitly. For the compatible loading paths, a particular solution is selected by requiring the solution vector to be orthogonal to the null space of the singular coefficient matrix. The paper also presents a fully implicit algorithm for the plasticity model. Numerical examples of an fcc copper single crystal under cyclic loadings (pure shear and uniaxial strain) are presented to demonstrate the main features of the algorithm.     

An effective computational algorithm for rate-independent crystal plasticity based on a single crystal yield surface with an application to tube hydroforming

Up to now, several computational methods have been proposed for crystal plasticity models. The main objective of these computational methods has been to overcome the problem with the non-uniqueness of active slip systems during the plastic deformation of a single crystal. Crystal plasticity models based on a single crystal yield function have been proposed as alternative algorithms to overcome this problem. But the problem with these models is that they use a highly non-linear yield function for the crystal, which makes them computationally expensive. In this paper, a computational method is proposed that would modify a single crystal yield function in order to make it computationally efficient. Also to better capture experimental data, a new parameter is introduced into the single crystal yield function to make it more flexible. For verification, this crystal plasticity model was directly applied for the simulation of hydroforming of an extruded aluminum tube under complex strain paths. It was found that the current model is considerably faster than the previous crystal plasticity model based on a power-law type single crystal yield surface. Due to its computational efficiency, the current crystal plasticity model can also be used to calculate the anisotropy coefficients of phenomenological yield functions.     

Some micromechanical aspects of failure in granular materials based on second-order work

This paper discusses the notion of failure in a granular assembly by examining the key microstructural mechanisms which are most likely to trigger the nucleation and propagation of instabilities within a granular material. For this purpose, the key variable to predict the occurrence of failure, known as second-order work, is expressed from variables on the grain scale. The local behaviour incidents (where contacts may open or slide), compared to the global response of the assembly, are analysed by two approaches. First, numerical computations made by a discrete element model confirm the microscopic definition of the second-order work. Secondly, a micromechanical model, based on a homogenization procedure, relating the macroscopic behaviour to microscopic ingredients, namely contact planes, points to a close link between the occurrence of failure on the macroscopic scale as well as on the contact planes.     

Effect of secondary orientation on notch-tip plasticity in superalloy single crystals

Numerical and experimental evolutions of slip fields in notched Ni-Base Single Crystal superalloy tensile specimens are presented as a function of secondary crystallographic orientation. The numerical predictions based on three-dimensional anisotropic elasticity and crystal plasticity are compared with experimental observations. The results illustrate the strong dependence of the slip patterns and the plastic zone size and shape on the secondary orientation of notches, which can have important consequences on crack initiation. Specific orientations or non-symmetric notch geometries lead to non-symmetric patterns on both sides of the sample. The computations show that strongly different plastic zones are expected in the core of the sample and at free surfaces. The ability of the anisotropic elastic model to anticipate the plastic domains, based on identifying dominant slip systems, is confirmed by the crystal plasticity computations, at low load levels. An important observation is that kink shear banding is a real deformation mode operating at crack tips and notches in high strength nickel-based single crystal superalloys for specific orientations.     

Analysis of grain size effects on transformation-induced plasticity based on a discrete dislocation-transformation model

There is much interest recently in the possibility of combining two strengthening effects, namely the reduction of grain size (Hall-Petch effect) and the transformation-induced plasticity effect (strengthening due to a martensitic transformation). The present work is concerned with the analysis of the combination of these two effects using a discrete dislocation-transformation model. The transformation-induced plasticity mechanism is studied for aggregates of grains of ferrite and austenite of different sizes. The discrete model allows to simulate the behavior at sub-grain length scales, capturing the complex interaction between pile-ups at grain boundaries and the evolution of the microstructure due to transformation. The simulations indicate that, as the average grain size decreases, the relative strengthening due to the formation of martensite is significantly reduced and that the overall strengthening is mostly due to a Hall-Petch effect. This finding suggests that strengthening by the transformation-induced plasticity mechanism is ineffective in the presence of fine-grained microstructures.     

基于格子Boltzmann方法的粘弹性流体圆柱绕流分析

将光滑界面法引入到格子Boltzmann方法中分析粘弹性流体绕流问题,分别采用单松弛模型和对流扩散模型求解运动方程和Oldroyd-B本构方程,针对圆形和椭圆内部边界条件,给出连续界面插值函数,在此基础上,运用光滑界面法将内部边界转换为作用力项施加到演化方程中。首先分析圆柱绕流问题,给出不同材料参数情况下的流场分布和阻力系数计算结果,比较发现与宏观数值模拟结果相吻合。将模型拓展到绕椭圆流动中,分析椭圆形状和材料参数对粘弹性流体绕柱流的影响,发现随着椭圆长轴与短轴比值的增加和维森伯格数的增加,阻力系数逐渐下降,并且长短轴比对迭代收敛有较大影响。