Orientation evolution in Hadfield steel single crystals under combined slip and twinning

The tensile deformation response and texture evolution of aluminum alloyed Hadfield steel single crystals oriented in the 〈1 6 9〉 direction is investigated. In this material, the strain hardening response is governed by the high-density dislocation walls (HDDWs) that interact with glide dislocations. A microstructure-based visco-plastic self-consistent model was modified to account for mechanical twinning in addition to the prevailing contribution of the HDDWs. Simulations revealed the contribution of twinning to the overall work hardening at the later stages of deformation. Moreover, both the deformation response and the rotation of the loading axis associated with plastic flow are successfully predicted even at the high-strain levels attained (0.53). Predicting the texture evolution serves as a separate check for validating the model, motivating its utilization in single and polycrystals of other alloys that exhibit combined HDDWs and twinning.     

The role of texture in tension–compression asymmetry in polycrystalline NiTi

The purpose of the present study is to thoroughly understand the stress–strain behavior of polycrystalline NiTi deformed under tension versus compression. To do this, a micro-mechanical model is used which incorporates single crystal constitutive relationships and experimentally measured polycrystalline texture into the self-consistent formulation. For the first time it is quantitatively demonstrated that texture measurements coupled with a micro-mechanical model can accurately predict tension/compression asymmetry in NiTi shape memory alloys. The predicted critical transformation stress levels and transformation stress–strain slopes under both tensile and compressive loading are consistent with experimental results. For textured polycrystalline NiTi deformed under tension it is demonstrated that the martensite evolution is very abrupt, consistent with the Luders type deformation experimentally observed. The abrupt transformation under tension is attributed to the fact that the majority of the grains are oriented along the [111] crystallographic direction, which is soft under tensile loading. Since single crystals of the [111] orientation are hard under compression it is also demonstrated that under compression the martensite in textured polycrystalline NiTi evolves relatively slower.     

Constitutive modeling of textured body-centered-cubic (bcc) polycrystals

A new latent hardening model for body-centered-cubic (bcc) single crystals motivated by the inapplicability of the Schmid law (Critical Resolved Shear Stress Criterion) is presented. This model is based on the asymmetry of shearing resistance of the {112} slip planes depending on the shearing direction in the sense of ‘twin’ and ‘anti-twin’. For the interpretation of deformation of polycrystalline aggregates depending upon initial texture, a constitutive law for bcc single crystals is developed. This law is based on a rigorous constitutive theory for crystallographic slip that accounts for the effects of strain hardening, rate-sensitivity and thermal softening. The deformation response of textured polycrystal is investigated by means of a Taylor type averaging scheme and an established numerical procedure. Results for textured tungsten polycrystals at low and high strain rates for two different textures [001] and [011] are presented and compared with experimental results. The predictions compare well with experimental observations for the [001] texture. In the [011] texture, due to the reduced symmetry of deformation, lateral tensile stresses develop even under uniaxial compression. These lateral tensile stresses are responsible for observed lack of ductility and transgranular failure in the [011] texture.     

Fast texture updates in fcc polycrystal plasticity based on a linear active-set-estimate of the lattice spin

The paper presents a framework for a fast computational estimate of the texture evolution in fcc polycrystals. The underlying basis is a Taylor-type approach of rigid-plasticity for fcc crystals, where the decision of slip activity is based on a purely geometric argument in terms of the rate of total deformation. This approach allows a purely kinematic estimate of the texture evolution completely independent of the hardening response of the single crystal grains. We show that such a geometric estimate of the orientation microstructure provides very good approximations when compared with Taylor-type models of rigid viscoplasticity or elasto-plasticity of fcc crystals. It is shown for several deformation modes of polycrystalline aggregates that the geometric approach predicts the texture evolution very well in the range of large strains. In contrast to standard approaches for the analysis of texture, the proposed new method is extremely robust and very fast even for a high number of discrete grain orientations. As a consequence, such an approach provides a perfect base for large scale computations of anisotropy development in polycrystals.     

Design of microstructure-sensitive properties in elasto-viscoplastic polycrystals using multi-scale homogenization

Evolution of properties during processing of materials depends on the underlying material microstructure. A finite element homogenization approach is presented for calculating the evolution of macro-scale properties during processing of microstructures. A mathematically rigorous sensitivity analysis of homogenization is presented that is used to identify optimal forging rates in processes that would lead to a desired microstructure response. Macro-scale parameters such as forging rates are linked with microstructure deformation using boundary conditions drawn from the theory of multi-scale homogenization. Homogenized stresses at the macro-scale are obtained through volume-averaging laws. A constitutive framework for thermo-elastic–viscoplastic response of single crystals is utilized along with a fully-implicit Lagrangian finite element algorithm for modelling microstructure evolution. The continuum sensitivity method (CSM) used for designing processes involves differentiation of the governing field equations of homogenization with respect to the processing parameters and development of the weak forms for the corresponding sensitivity equations that are solved using finite element analysis. The sensitivity of the deformation field within the microstructure is exactly defined and an averaging principle is developed to compute the sensitivity of homogenized stresses at the macro-scale due to perturbations in the process parameters. Computed sensitivities are used within a gradient-based optimization framework for controlling the response of the microstructure. Development of texture and stress–strain response in 2D and 3D FCC aluminum polycrystalline aggregates using the homogenization algorithm is compared with both Taylor-based simulations and published experimental results. Processing parameters that would lead to a desired equivalent stress–strain curve in a sample poly-crystalline microstructure are identified for single and two-stage loading using the design algorithm.     

The role of intergranular constraint on the stress-induced martensitic transformation in textured polycrystalline NiTi

The influences of grain boundaries and relative grain misorientations on stress-induced martensitic transformations in NiTi are studied using unique experiments and finite element modeling. Tensile and compressive mechanical tests reveal that polycrystalline NiTi with a dominant <111> fiber texture and single crystal NiTi oriented along the [111] direction exhibit nearly identical stress–strain curves during a stress-induced martensitic transformation. Micro-mechanical finite element simulations of fiber textured polycrystals and single crystals undergoing a multi-variant martensitic transformation confirm the relative indifference of the macroscopic transformation attributes to the presence of grain boundaries. On the microscale, the finite element simulations further reveal that the insensitivity of the transformation to intergranular constraint is linked to the local stress disturbance created by transforming grains. The transformation of grains that are favorably oriented with respect to the loading axis creates local stresses that invariably assist the transformation in neighboring grains, effectively lowering the influence of grain misorientations and boundaries on the macroscopic transformation behavior.     

Polycrystal constraint and grain subdivision

Typically, intergranular constraint relations of various sorts are introduced to improve the accuracy of prediction of texture evolution and macroscale stress–strain behavior of metallic polycrystals within the context of simple polycrystal averaging schemes. This paper examines the capability of a 3-D polycrystal plasticity theory (Kocks, U.F., Kallend, J.S., Wank, H.-R., Rollett, A.D. and Wright, S.I. (1994), popLA, Preferred Orientation Package—Los Alamos. LANL LA-CC-89-18), based on the Taylor assumption of uniform deformation among grains, to predict texture evolution and stress–strain behavior for complex finite deformation loading paths of OFHC Cu. Compression, shear and sequences of deformation path are considered. It is shown that the evolution of texture is too rapid and that the intensity of peaks is more pronounced than for experimentally measured pole figures. Comparisons of both stress–strain behavior and texture evolution are made with experiments, with and without the inclusion of latent hardening effects. It is argued that grain subdivision processes accommodate intergranular kinematical constraints, leading to the notion of a generalized Taylor constraint that considers the distribution of subgrain orientations. The subdivision process is assumed to follow the experimentally observed refinement of low energy dislocation structures associated with geometrically necessary dislocations. A modification of the kinematical structure of crystal plasticity is proposed based on generation of geometrically necessary dislocations that accommodate a fraction of the plastic stretch and rotation at the scale of a grain.     

Anisotropy of martensitic transformations in modeling of shape memory alloy polycrystals

Based on the knowledge of the anisotropy associated with the martensitic transformations obtained from tension/compression experiments with oriented CuAlNi single crystals, a simple constant stress averaging approach is employed to model the SMA polycrystal deformation behaviors. Only elastic and inelastic strains due to the martensitic transformation, variant reorientations in the martensite phase and martensite to martensite transformations in thermomechanical loads are considered. The model starts from theoretical calculation of the stress-temperature transformation conditions and their orientation dependence from basic crystallographic and material attributes of the martensitic transformations. Results of the simulations of the NiTi, NiAl, and Cu-based SMA polycrystals in stress–strain tests are shown. It follows that SMA polycrystals, even with randomly oriented grains, typically exhibit tension/compression asymmetry of the shape of the pseudoelastic σ−ε curves in transformation strain, transformation stress, hysteresis widths, character of the pseudoelastic flow and in the slope of temperature dependence of the transformation stresses. It is concluded that some macroscopic features of the SMA polycrystal behaviors originate directly from the crystallography of the undergoing MT's. The model shows clearly the crystallographic origin of these phenomena by providing a link from the crystallographic and material attributes of martensitic transformations towards the macroscopic σ−ε−T behaviors of SMA polycrystals.     

Superplastic characteristics of high purity yttria-stabilized zirconia polycrystals

The mechanical characteristics of superplastic yttria-stabilized zirconia polycrystals have been analyzed as a function of stress, temperature and grain size. The evolution of the stress exponent n with stress found in high purity materials is similar to that observed in superplastic metals. True creep parameters can be ascribed to the deformation mechanism at high stresses. By contrast, the creep parameters exhibit a continuous evolution with stress, temperature and grain size at low stresses. The threshold stress formalism used in conventional and high strain rate superplastic metals accounts for the mechanical characteristics observed in fine-grained zirconia polycrystals.     

A modified model for simulating latent hardening during the plastic deformation of rate-dependent FCC polycrystals

A strain hardening model for the plastic deformation of rate-dependent FCC crystals is proposed based on experimental observations previously reported for single crystals. This model, which is an extension of that employed by et al. [1983], includes both the self-hardening and latent hardening of the slip systems. The differential hardening of the latent systems is assumed to arise from the interaction between glide dislocations and forests. With this hardening model and a rate-sensitive crystal plasticity theory, the deformation behavior of FCC polycrystals can be predicted from the deformation response of the constituent single crystals. As examples, the uniaxial tensile behaviour of pure aluminum and copper polycrystals is simulated using the extended model, and the results are compared with published experimental data. The effects of latent hardening on polycrystal deformation, especially on flow stress and the formation of tensile textures, are discussed.     

Modeling the thermoelastic–viscoplastic response of polycrystals using a continuum representation over the orientation space

Conventional methodologies towards polycrystal plasticity use an aggregate of single crystals and this choice of the aggregate affects the response of the polycrystal. In order to address this issue, a continuum approach is presented for the representation of polycrystals through an orientation distribution function over the orientation space. Additionally, a constitutive framework for thermoelastic–viscoplastic response of metals based on polycrystal plasticity is presented along with a coupled macro–micro, fully implicit Lagrangian finite element algorithm. Numerical examples that highlight the accuracy, performance and benefits of the proposed approach are presented.     

Modeling transients in the mechanical response of copper due to strain path changes

When copper is deformed to large strains its texture and microstructure change drastically, leading to plastic anisotropy and extended transients when it is reloaded along a different strain path. For predicting these transients, we develop a constitutive model for polycrystalline metals that incorporates texture and grain microstructure. The directional anisotropy in the single crystals is considered to be induced by variable latent hardening associated with cross-slip, cut-through of planar dislocation walls, and dislocation-based reversal mechanisms. These effects are introduced in a crystallographic hardening model which is, in turn, implemented into a polycrystal model. This approach successfully explains the flow response of OFHC Cu pre-loaded in tension (compression) and reloaded in tension (compression), and the response of OFHC Cu severely strained in shear by equal channel angular extrusion and subsequently compressed in each of the three orthogonal directions. This new theoretical framework applies to arbitrary strain path changes, and is fully anisotropic.     

Three-dimensional finite element simulations of ferroelectric polycrystals under electrical and mechanical loading

Complex, non-linear, irreversible, hysteretic behavior of polycrystalline ferroelectric materials under a combined electro-mechanical loading is a result of domain wall motion, causing simultaneous expansion and contraction of unlike domains, grain sub-divisions that have distinct spontaneous polarization and strain. In this paper, a 3-dimensional finite element method is used to simulate such a polycrystalline ferroelectric under electrical and mechanical loading. A constitutive law due to Huber et al. [1999. A constitutive model for ferroelectric polycrystals. J. Mech. Phys. Solids 47, 1663-1697] for switching by domain wall motion in multidomain ferroelectric single crystals is employed in our model to represent each grain, and the finite element method is used to solve the governing conditions of mechanical equilibrium and Gauss's law. The results provide the average behavior for the polycrystalline ceramic. We compare the outcomes predicted by this model with the available experimental data for various electromechanical loading conditions. The qualitative features of ferroelectric switching are predicted well, including hysteresis and butterfly loops, the effect on them of mechanical compression, and the response of the polycrystal to non-proportional electrical loading.     

Correlation between swift effects and tension–compression asymmetry in various polycrystalline materials

The Swift phenomenon, which refers to the occurrence of permanent axial deformation during monotonic free-end torsion, has been known for a very long time. While plastic anisotropy is considered to be its main cause, there is no explanation as to why in certain materials irreversible elongation occurs while in others permanent shortening is observed.In this paper, a correlation between Swift effects and the stress–strain behavior in uniaxial tension and compression is established. It is based on an elastic–plastic model that accounts for the combined influence of anisotropy and tension–compression asymmetry. It is shown that, if for a given orientation the uniaxial yield stress in tension is larger than that in compression, the specimen will shorten when twisted about that direction; however, if the yield stress in uniaxial compression is larger than that in uniaxial tension, axial elongation will occur. Furthermore, it is shown that on the basis of a few simple mechanical tests it is possible to predict the particularities of the plastic response in torsion for both isotropic and initially anisotropic materials. Unlike other previous interpretations of the Swift effects, which were mainly based on crystal plasticity and/or texture evolution, it is explained the occurrence of Swift effects at small to moderate plastic strains. In particular, the very good quantitative agreement between model and data for a strongly anisotropic AZ31–Mg alloy confirm the correlation established in this work between tension–compression asymmetry and Swift effects. Furthermore, it is explained why the sign of the axial plastic strains that develop depends on the twisting direction.     

Numerical implementation of non-local polycrystal plasticity using fast Fourier transforms

We present the numerical implementation of a non-local polycrystal plasticity theory using the FFT-based formulation of Suquet and co-workers. Gurtin (2002) non-local formulation, with geometry changes neglected, has been incorporated in the EVP-FFT algorithm of Lebensohn et al. (2012). Numerical procedures for the accurate estimation of higher order derivatives of micromechanical fields, required for feedback into single crystal constitutive relations, are identified and applied. A simple case of a periodic laminate made of two fcc crystals with different plastic properties is first used to assess the soundness and numerical stability of the proposed algorithm and to study the influence of different model parameters on the predictions of the non-local model. Different behaviors at grain boundaries are explored, and the one consistent with the micro-clamped condition gives the most pronounced size effect. The formulation is applied next to 3-D fcc polycrystals, illustrating the possibilities offered by the proposed numerical scheme to analyze the mechanical response of polycrystalline aggregates in three dimensions accounting for size dependence arising from plastic strain gradients with reasonable computing times.     

Parameter identification of advanced plastic strain rate potentials and impact on plastic anisotropy prediction

In the work presented in this paper, several strain rate potentials are examined in order to analyze their ability to model the initial stress and strain anisotropy of several orthotropic sheet materials. Classical quadratic and more advanced non-quadratic strain rate potentials are investigated in the case of FCC and BCC polycrystals. Different identifications procedures are proposed, which are taking into account the crystallographic texture and/or a set of mechanical test data in the determination of the material parameters.     

Transition theories of elastic-plastic deformation of metallic polycrystals

Summary A general approach to the problem of determination of elastoplastic behavior of metallic polycrystals at finite deformation is presented. The relation between moving dislocation density and global slip rate for grains is developed. Transition to grain response is obtained by introducing the hardening matrix. Field equations for heterogeneous elastoplastic metals are transformed into an integral equation, using Green functions technique. This allows to find the spin of the lattice related to texture formation.Scale transition is achieved by a self-consistent approximation of the integral equation. New results concerning BCC metals (sheet steel) are presented. They apply to tensile test, Lankford coefficient, initial and subsequent yield surfaces, and evolution of the internal state of the polycrystal: second-order residual stress, stored energy and texture evolution.     

Modeling the mechanical response of rolled Zircaloy-2

An elastoplastic self-consistent model has been implemented to perform a systematic study of the response of rolled Zircaloy-2 subjected to mechanical loading. The intergranular stresses induced by cooling the material from 898 K to room temperature are calculated, accounting for the experimental texture, and compared with experimental data. The elastoplastic response in tension and compression along the rolling and the transverse directions of the sheet is predicted and compared against the results of uniaxial tensile and compressive tests performed in the same material. The role of the internal stresses on the yield stress and the elastoplastic transition is analyzed, and information about the active deformation systems in the individual grains is inferred from the comparison. Indirect inference of the parameters describing the deformation mechanisms is the only available means, because it is not possible to grow single crystals of these alloys. The results of this study demonstrate the adequacy of self-consistent schemes for predicting intergranular stresses and the significance of the latter on the mechanical behavior of the material.     

Mesoscale modeling of dynamic compression of boron carbide polycrystals

An anisotropic nonlinear elastic model is advanced for crystals belonging to either of two polytypes of boron carbide ceramic. Crystals undergo transformation to an isotropic, amorphous phase upon attainment of a local state-based criterion associated with a loss of intrinsic stability. The model is implemented using the dynamic finite element method, and is demonstrated on a representative volume consisting of fifty polyhedral grains subjected to uniaxial strain at a uniform high strain rate and shock compression at axial pressures ranging from 10 to 50 GPa. Predicted stress–strain behavior is in close agreement with experimental data. For polycrystals consisting of both polytypes, amorphization initiates at stress levels slightly below the experimental Hugoniot elastic limit, and occurs more readily than observed in experiment. For polycrystals consisting only of the CBC (polar) polytype, amorphization initiates at impact pressures similar to those suggested by experiment. In either case, transformation is promoted by dynamic stress interactions and elastic coefficient mismatch among anisotropic crystals. Results support a previous conjecture that amorphization is related to shear instability and cross-linking of the CBC chain in the polar polytype.