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.     

Effects of texture on shear band formation in plane strain tension/compression and bending

In this study, effects of typical texture components observed in rolled aluminum alloy sheets on shear band formation in plane strain tension/compression and bending are systematically studied. The material response is described by a generalized Taylor-type polycrystal model, in which each grain is characterized in terms of an elastic–viscoplastic continuum slip constitutive relation. First, a simple model analysis in which the shear band is assumed to occur in a weaker thin slice of material is performed. From this simple model analysis, two important quantities regarding shear band formation are obtained: i.e. the critical strain at the onset of shear banding and the corresponding orientation of shear band. Second, the shear band development in plane strain tension/compression is analyzed by the finite element method. Predictability of the finite element analysis is compared to that of the simple model analysis. Third, shear band developments in plane strain pure bending of a sheet specimen with the typical textures are studied. Regions near the surfaces in a bent sheet specimen are approximately subjected to plane strain tension or compression. From this viewpoint, the bendability of a sheet specimen may be evaluated, using the knowledge regarding shear band formation in plane strain tension/compression. To confirm this and to encompass overall deformation of a bent sheet specimen, including shear bands, finite element analyses of plane strain pure bending are carried out, and the predicted shear band formation in bent specimens is compared to that in the tension/compression problem. Finally, the present results are compared to previous related studies, and the efficiency of the present method for materials design in future is discussed.     

A continuum model for initiation and evolution of deformation twinning

Within continuum dislocation theory the plastic deformation of a single crystal with one active slip system under plane-strain constrained shear is investigated. By introducing a twinning shear into the energy of the crystal, we show that in a certain range of straining the formation of deformation twins becomes energetically preferable. An energetic threshold for the onset of twinning is determined. A rough analysis qualitatively describes not only the evolving volume fractions of twins but also their number during straining. Finally, we analyze the evolution of deformation twins and of the dislocation network at non-zero dissipation. We present the corresponding stress-strain hysteresis, the evolution of the plastic distortion, the twin volume fractions and the dislocation densities.     

A Finite Element approach with patch projection for strain gradient plasticity formulations

Several strain gradient plasticity formulations have been suggested in the literature to account for inherent size effects on length scales of microns and submicrons. The necessity of strain gradient related terms render the simulation with strain gradient plasticity formulation computationally very expensive because quadratic shape functions or mixed approaches in displacements and strains are usually applied. Approaches using linear shape functions have also been suggested which are, however, limited to regular meshes with equidistanced Finite Element nodes. As a result the majority of the simulations in the literature deal with plane problems at small strains. For the solution of general three dimensional problems at large strains an approach has to be found which has to be computationally affordable and robust.     

Modeling the evolution of crystallographic dislocation density in crystal plasticity

Dislocations are the most important material defects in crystal plasticity, and although dislocation mechanics has long been understood as the underlying physical basis for continuum crystal plasticity formulations, explicit consideration of crystallographic dislocation mechanics has been largely absent in working constitutive models. Here, dislocation density state variables evolve from initial conditions according to equations based on fundamental concepts in dislocation mechanics such as the conservation of Burgers vector in multiplication and annihilation processes. The model is implemented to investigate the polyslip behavior of single-crystal aluminum. The results not only capture the mechanical stress/strain response, but also detail the development of underlying dislocation structure responsible for the plastic behavior.     

A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations

This study develops a gradient theory of single-crystal plasticity that accounts for geometrically necessary dislocations. The theory is based on classical crystalline kinematics; classical macroforces; microforces for each slip system consistent with a microforce balance; a mechanical version of the second law that includes, via the microforces, work performed during slip; a rate-independent constitutive theory that includes dependences on a tensorial measure of geometrically necessary dislocations. The microforce balances are shown to be equivalent to nonlocal yield conditions for the individual slip systems. The field equations consist of the yield conditions coupled to the standard macroscopic force balance; these are supplemented by classical macroscopic boundary conditions in conjunction with nonstandard boundary conditions associated with slip. As an aid to solution, a weak (virtual power) formulation of the nonlocal yield conditions is derived. To make contact with classical dislocation theory, the microstresses are shown to represent counterparts of the Peach-Koehler force on a single dislocation.     

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.     

Coupled effects of grain size distributions and crystallographic textures on the plastic behaviour of IF steels

Micro-macro scale transition theories were developed to model the inelastic behaviour of polycrystals starting from the local behaviour of the grains. The anisotropy of the plastic behaviour of polycrystalline metals was essentially explained by taking into account the crystallographic textures. Issues like plastic heterogeneities due to grain size dispersion, involving the Hall-Petch mechanism at the grain scale, were often not taken into account, and, only the role of a mean grain size was investigated in the literature. Here, both sources of plastic heterogeneities are studied using: (i) experimental data from EBSD measurements and tensile tests, and, (ii) a self-consistent model devoted to elastic-viscoplastic heterogeneous materials. The results of the model are applied to two different industrial IF steels with similar global orientation distributions functions but different mean grain sizes and grain size distributions. The coupled role of grain size distributions and crystallographic textures on the overall tensile behaviour, local stresses and strains, stored energy and overall plastic anisotropy (Lankford coefficients) is deeply analyzed by considering different other possible correlations between crystallographic orientations and grain sizes from the measured data.     

On the strain hardening and texture evolution in high manganese steels: Experiments and numerical investigation

We present a systematic investigation on the strain hardening and texture evolution in high manganese steels where twinning induced plasticity (TWIP) plays a significant role for the materials' plastic deformation. Motivated by the stress–strain behavior of typical TWIP steels with compositions of Fe, Mn, and C, we develop a mechanistic model to explain the strain-hardening in crystals where deformation twinning dominates the plastic deformation. The classical single crystal plasticity model accounting for both dislocation slip and deformation twinning are then employed to simulate the plastic deformation in polycrystalline TWIP steels. While only deformation twinning is activated for plasticity, the simulations with samples composed of voronoi grains cannot fully capture the texture evolution of the TWIP steel. By including both twinning deformation and dislocation slip, the model is able to capture both the stress–strain behaviors and the texture evolution in Fe–Mn–C TWIP steel in different boundary-value problems. Further analysis on the strain contributions by both mechanisms suggests that deformation twinning plays the dominant role at the initial stage of plasticity in TWIP steels, and dislocation slip becomes increasingly important at large strains.     

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.     

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.     

Plane constrained uniaxial extension of a single crystal strip

Within continuum dislocation theory the plane constrained uniaxial extension of a single crystal strip deforming in single or double slip is analyzed. For the single and symmetric double slip, the closed-form analytical solutions are found which exhibits the energetic and dissipative thresholds for dislocation nucleation, the Bauschinger translational work hardening, and the size effect. Numerical solutions for the non-symmetric double slip are obtained by finite element procedures.     

Bounds and estimates for the effect of strain gradients upon the effective plastic properties of an isotropic two-phase composite

Predictions are made for the size effect on strength of a random, isotropic two-phase composite. Each phase is treated as an isotropic, elastic-plastic solid, with a response described by a modified deformation theory version of the Fleck-Hutchinson strain gradient plasticity formulation (Fleck and Hutchinson, J. Mech. Phys. Solids 49 (2001) 2245). The essential feature of the new theory is that the plastic strain tensor is treated as a primary unknown on the same footing as the displacement. Minimum principles for the energy and for the complementary energy are stated for a composite, and these lead directly to elementary bounds analogous to those of Reuss and Voigt. For the case of a linear hardening solid, Hashin-Shtrikman bounds and self-consistent estimates are derived. A non-linear variational principle is constructed by generalising that of Ponte Castañeda (J. Mech. Phys. Solids 40 (1992) 1757). The minimum principle is used to derive an upper bound, a lower estimate and a self-consistent estimate for the overall plastic response of a statistically homogeneous and isotropic strain gradient composite. Sample numerical calculations are performed to explore the dependence of the macroscopic uniaxial response upon the size scale of the microstructure, and upon the relative volume fraction of the two phases.     

A micromechanical model of hardening, rate sensitivity and thermal softening in BCC single crystals

The present paper is concerned with the development of a micromechanical model of the hardening, rate-sensitivity and thermal softening of bcc crystals. In formulating the model, we specifically consider the following unit processes: double-kink formation and thermally activated motion of kinks; the close-range interactions between primary and forest dislocations, leading to the formation of jogs; the percolation motion of dislocations through a random array of forest dislocations introducing short-range obstacles of different strengths; dislocation multiplication due to breeding by double cross-slip; and dislocation pair annihilation. The model is found to capture salient features of the behavior of Ta crystals such as: the dependence of the initial yield point on temperature and strain rate; the presence of a marked stage I of easy glide, specially at low temperatures and high strain rates; the sharp onset of stage II hardening and its tendency to shift towards lower strains, and eventually disappear, as the temperature increases or the strain rate decreases; the parabolic stage II hardening at low strain rates or high temperatures; the stage II softening at high strain rates or low temperatures; the trend towards saturation at high strains; the temperature and strain-rate dependence of the saturation stress; and the orientation dependence of the hardening rate.     

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.     

Cyclic behavior of extruded magnesium: Experimental, microstructural and numerical approach

The present study aims at determining the influence of cyclic straining on the behavior of pure extruded magnesium. For this purpose, tensile, compressive and cyclic tests are performed (small plastic strains are applied (Δε^p/2 = 0.1% and 0.4%). Deformation mechanisms (slip and twin systems) have been observed by TEM and the different critical resolved shear stress (CRSS) have been determined. Based on microscopic observations, a crystal-plasticity-based constitutive model has been developed. The asymmetry between tensile and compressive loadings mainly results from the activation of hard slip systems in tension (such as 〈a〉 pyramidal and prismatic and 〈c + a〉 pyramidal glides) and twinning in compression. It is shown that basal slip is very easy to activate even for small Schmid factors. Numerical simulations reveal that untwinning in tension subsequent to compression must be considered to correctly fit the experimental S-shaped hysteresis curves. TEM observations indicate also intense secondary slips or twins inside the mother twins under cyclic conditions, so that twinning in compression and dislocation glide in tension are affected by cycling. The polycrystalline model allows to predict slip activities and twin volume fraction evolutions.     

Crystal plasticity modeling of slip activity in Ti–6Al–4V under high cycle fatigue loading

Deformation micromechanisms of a Ti–6Al–4V alloy under fatigue loading at room temperature are studied using a three-dimensional crystal plasticity constitutive model. The model employs a minimum set of fitting parameters based on experimental data for Ti–6Al–4V. Single slip is strongly favored through a softening law that affects mainly the driving force for slip on the first activated slip system. Cyclic deformation behavior at the macroscopic scale and at the local scale of grains is analyzed through the simulation of 20 cycles of fatigue on a polycrystalline structure of 900 randomly oriented grains. The progressive activation of slip (basal, prismatic, and pyramidal) is analyzed and compared to experimental observations.     

A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates

The recent diagnostic capability of the Omega laser to study solid-solid phase transitions at pressures greater than 10 GPa and at strain rates exceeding 10⁷ s⁻¹ has also provided valuable information on the dynamic elastic-plastic behavior of materials. We have found, for example, that plasticity kinetics modifies the effective loading and thermodynamic paths of the material. In this paper we derive a kinetics equation for the time-dependent plastic response of the material to dynamic loading, and describe the model’s implementation in a radiation-hydrodynamics computer code. This model for plasticity kinetics incorporates the Gilman model for dislocation multiplication and saturation. We discuss the application of this model to the simulation of experimental velocity interferometry data for experiments on Omega in which Fe was shock compressed to pressures beyond the α-to-ε phase transition pressure. The kinetics model is shown to fit the data reasonably well in this high strain rate regime and further allows quantification of the relative contributions of dislocation multiplication and drag. The sensitivity of the observed signatures to the kinetics model parameters is presented.