Cylindrical void in a rigid-ideally plastic single crystal. Part I: Anisotropic slip line theory solution for face-centered cubic crystals

The fracture toughness of ductile materials depends upon the ability of the material to resist the growth of microscale voids near a crack tip. Mechanics analyses of the elastic–plastic deformation state around such voids typically assume the surrounding material to be isotropic. However, the voids exist predominantly within a single grain of a polycrystalline material, so it is necessary to account for the anisotropic nature of the surrounding material. In the present work, anisotropic slip line theory is employed to derive the stress and deformation state around a cylindrical void in a single crystal oriented so that plane strain conditions are admitted from three effective in-plane slip systems. The deformation state takes the form of angular sectors around the circumference of the void. Only one of the three effective slip systems is active within each sector. Each slip sector is further subdivided into smaller sectors inside of which it is possible to derive the stress state. Thus the theory predicts a highly heterogeneous stress and deformation state. In addition, it is shown that the in-plane pressure necessary to activate plastic deformation around a cylindrical void in an anisotropic material is significantly higher than that necessary for an isotropic material. Experiments and single crystal plasticity finite element simulations of cylindrical voids in single crystals, both of which exhibit a close correspondence to the analytical theory, are discussed in a companion paper.     

Investigation of three-dimensional aspects of grain-scale plastic surface deformation of an aluminum oligocrystal

This is a study of plastic strain localization, surface roughening and of the origin of these phenomena in polycrystals. An oligocrystal aluminum sample with a single quasi-2D layer of coarse grains is plastically deformed under uniaxial tensile loading. During deformation, the history of strain localization, surface roughening, microstructure and in-grain fragmentation is carefully recorded. Using a crystal plasticity finite element model, corresponding high-resolution simulations are conducted. A series of comparisons identifying aspects of good and of less good match between model predictions and experiments is presented. The study suggests that the grain topology and microtexture have a significant influence on the origin of strain heterogeneity. Moreover, it suggests that the final surface roughening profiles are related both to the macro strain localization and to the intra-grain interaction. Finally slip lines observed on the surface of the samples are used to probe the activation of slip systems in detail. The study concludes with an assessment of the limitations of the crystal plasticity model.     

A crystallographic model for the study of local deformation processes in polycrystals

Most engineering materials possess a polycrystalline structure. Under load the anisotropy of the constituent grains leads to strong inhomogeneities of stresses and strains on the grain level. In order to investigate the local deformation processes, a new crystallographic model for pure fcc metals in the low temperature range has been developed. It is based on the framework of crystal plasticity and uses the finite element method (FEM). The rate dependent constitutive equations consider isotropic as well as kinematic hardening, whereby the mutual interactions of dislocation processes on the different slip systems are taken into account. Comprehensive calculations show that the essential features of both single crystals—which serve as a test object for the constitutive equations—and polycrystals are reproduced correctly. Moreover the simulations allow a deeper understanding of the mechanisms that control the local deformation behaviour of metals, especially of the mutual interactions of slip system activity, local hardening and resulting local strain. Furthermore, the model may serve as a physically motivated base for a later inclusion of damage terms which allow investigations of damage and fatigue on the local scale.     

Dislocation-based micropolar single crystal plasticity: Comparison of multi- and single criterion theories

Two new formulations of micropolar single crystal plasticity are presented within a geometrically linear setting. The construction of yield criteria and flow rules for generalized continuum theories with higher-order stresses can be done in one of two ways: (i) a single criterion can be introduced in terms of a combined equivalent stress and inelastic rate or (ii) or individual criteria can be specified for each conjugate stress/inelastic kinematic rate pair, a so-called multi-criterion theory. Both single and multi-criterion theories are developed and discussed within the context of dislocation-based constitutive models. Parallels and distinctions are made between the proposed theories and some of the alternative generalized crystal plasticity models that can be found in the literature. Parametric numerical simulations of a constrained thin film subjected to simple shear are conducted via finite element analysis using a simplified 2-D version of the fully 3-D theory to highlight the influence of specific model components on the resulting deformation under both loading and unloading conditions. The deformation behavior is quantified in terms of the average stress-strain response and the local shear strain and geometrically necessary dislocation density distributions. It is demonstrated that micropolar single crystal plasticity can qualitatively capture the same range of behaviors as slip gradient-based models, while offering a simpler numerical implementation and without introducing plastic slip rates as generalized traction-conjugate velocities subject to an additional microforce balance.     

The role of superdislocations for modeling plastic deformation of lamellar TiAl

The deformation behaviour of lamellar TiAl-alloys is investigated by means of micromechanical finite element simulations. For the simulations, a lower and an upper bound periodic unit cell representing the lamellar substructure are used. Crystallographic slip is described by continuum crystal plasticity. For the simulations, 16 individual ordinary, super, and twinning systems divided into three morphological slip modes are taken into account. The strength and hardening parameters of the slip systems are determined by comparison with experimental data from room temperature compression tests of poly-synthetically twinned (PST) crystals of TiAl. The effect of the yield stress of the superdislocations is investigated by systematic parameter variations. The results show that the general anisotropy of PST-crystals can already be described with a purely morphological classification of the slip systems. Superdislocations cause a slight tension–compression anomaly if the yield stresses are higher than for the ordinary and twinning systems.     

Analysis of dynamic shear bands in an FCC single crystal

We study plane strain dynamic thermomechanical deformations of an fcc single crystal compressed along the crystallographic direction [010] at an average strain rate of 1000 sec⁻¹. Two cases are studied; one in which the plane of deformation is parallel tothe plane (001) of the single crystal, and another one with deformation occuring in the plane (101̄) of the single crystal. In each case, the 12 slip systems are aligned symmetrically about the two centroidal axes. We assume that the elastic and plastic deformations of the crystal are symmetrical about these two axes. The crystal material is presumed to exhibit strain hardening, strain-rate hardening, and thermal softening. A simple combined isotropic-kinematic hardening expression for the critical resolved shear stress, proposed by Weng, is modified to account for the affine thermal softening of the material. When the deformation is in the plane (001) of the single crystal, four slip systems (111)[11̄0], (111̄)[11̄0], (11̄;1̄;)[110], and (11̄1)[110] are active in the sense that significant plastic deformations occur along these slip systems. However, when the plane of deformation is parallel to the plane (101̄;) of the single crystal, slip systems (11̄;1)[110], (11̄1)[011], (111)[11̄0], and (111)[01̄1] are more active than the other eight slip systems. At an average strain of 0.0108, the maximum angle of rotation of a slip system within a shear band, about an axis perpendicular to the plane of deformation, is found to be 20.3° in the former case, and 22.9° in the latter.     

Texture predictions using a polycrystal plasticity model incorporating neighbor interactions

A viscoplastic model is presented for distributing the deformation applied to a polycrystal in a non-uniform fashion among the constituent crystals. Interactions with surrounding crystals are incorporated in the calculation of the deformation rate of each crystal through an appropriately defined local neighborhood. A compliance tensor is computed for each crystal based on a viscoplastic constitutive relation for deformation by crystallographic slip. The compliance of the crystal relative to that of its neighborhood provides a means for partitioning the macroscopic deformation rate among the crystals. The deviation of the crystal deformation rate from the macroscopic value is suitably scaled to obtain the crystal spin. Polycrystal simulations of crystallographic texture development using this model are compared to the results of similar calculations using the Taylor model, to finite element simulations of a model polycrystal, and to experimental data. The model incorporating neighbor interactions is shown to result in improved texture predictions, in terms of both the intensity levels and the locations of certain texture components.     

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.     

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.     

Cylindrical void in a rigid-ideally plastic single crystal III: Hexagonal close-packed crystal

The analytical solution is derived for the plane strain stress field around a cylindrical void in a hexagonal close-packed single crystal with three in-plane slip systems oriented at the angle π/3 with respect to one another. The critical resolved shear stress on each slip system is assumed to be equal. The crystal is loaded by both internal pressure and a far-field equibiaxial compressive stress. The deformation field takes the form of angular sectors, called slip sectors, within which only one slip system is active; the boundaries between different sectors are radial lines. The stress fields are derived by enforcing equilibrium and a rigid, ideally plastic constitutive relationship, in the spirit of anisotropic slip line theory. The results show that each slip sector is divided into smaller regions denoted as stress sectors and the stress state valid within each stress sector is derived. It is shown that stresses are unique and are continuous within stress sectors and across stress sector boundaries, but the gradient of stresses is not continuous across the boundaries between stress sectors. The solution shows self-similarity in that the stresses over the entire domain can be determined from the stresses within a small region adjacent to the void by invoking certain scaling and symmetry properties. In addition, the stress state exhibits periodicity along logarithmic spirals which emanate from the void. The results predict that the mean value of in-plane pressure required to activate plastic deformation around a void in a single crystal can be higher than that necessary for a void in an isotropic material and is sensitive to the orientation of the slip systems relative to the void.     

Forming limit comparisons for FCC and BCC sheets

In this paper, numerical simulations of forming limit diagrams (FLDs) are performed based on a rate-sensitive polycrystal plasticity model together with the Marciniak–Kuczynski (M–K) approach. Sheet necking is initiated from an initial imperfection in terms of a narrow band. The deformations inside and outside the band are assumed to be homogeneous, and conditions of compatibility and equilibrium are enforced across the band interfaces. Thus, the polycrystal model need only be applied to two polycrystal aggregates, one inside and one outside the band. Both FCC and BCC crystals are considered with 12 distinct slip systems for an FCC crystal and 24 distinct slip systems for a BCC crystal. The response of an aggregate comprised of many grains is based on an elastic–viscoplastic Taylor-type polycrystal model. With this formulation, the effects of initial imperfection intensity and orientation, crystal elasticity, strain-rate sensitivity, single slip hardening, and latent hardening on the FLD can be assessed. Identical initial textures are considered for both FCC and BCC polycrystals and the predicted FLDs are compared with each other.     

Strain gradient crystal plasticity analysis of a single crystal containing a cylindrical void

The effects of void size and hardening in a hexagonal close-packed single crystal containing a cylindrical void loaded by a far-field equibiaxial tensile stress under plane strain conditions are studied. The crystal has three in-plane slip systems oriented at the angle 60° with respect to one another. Finite element simulations are performed using a strain gradient crystal plasticity formulation with an intrinsic length scale parameter in a non-local strain gradient constitutive framework. For a vanishing length scale parameter the non-local formulation reduces to a local crystal plasticity formulation. The stress and deformation fields obtained with a local non-hardening constitutive formulation are compared to those obtained from a local hardening formulation and to those from a non-local formulation. Compared to the case of the non-hardening local constitutive formulation, it is shown that a local theory with hardening has only minor effects on the deformation field around the void, whereas a significant difference is obtained with the non-local constitutive relation. Finally, it is shown that the applied stress state required to activate plastic deformation at the void is up to three times higher for smaller void sizes than for larger void sizes in the non-local material.     

Orientation effects in nanoindentation of single crystal copper

Numerical simulations and experimental results of nanoindentation on single crystal copper in three crystallographic orientations [(1 0 0), (0 1 1) and (1 1 1)] using a spherical indenter (3.4 μm radius) were reported. The simulations were conducted using a commercial finite element code (ABAQUS) with a user-defined subroutine (VUMAT) that incorporates large deformation crystal plasticity constitutive model. This model can take full account of the crystallographic slip as well as the orientation effects during nanoindentation. Distributions of the out-of-plane displacements and shear stresses as well as shear strains were obtained for indentation depths of up to 310 nm. The experimental studies were conducted using an MTS Nano Indenter (XP) system from which the load–displacement relationships were obtained while the surface topography as well as the surface profile along a line scan of indents were obtained using a Digital Instruments (Dimension 3100) atomic force microscope (AFM). The top views of the indent pile-up patterns under the spherical indenter show two-fold, three-fold, and four-fold symmetries for the (0 1 1), (1 1 1), and (1 0 0) orientations, respectively. Attempt was made to relate the anisotropic nature of the surface topographies around the indents in different crystallographic orientations of the single crystal copper specimens with the active slip systems and local texture variations. A reasonably good agreement had been obtained on several aspects of nanoindentation between the experimental and numerical results reported in this investigation as well as similar results reported in the literature. Thus, material properties of single crystal copper can be determined based on an appropriate numerical modeling of the nanoindentation on three crystallographic orientations.     

Grain boundary interface mechanics in strain gradient crystal plasticity

Interactions between dislocations and grain boundaries play an important role in the plastic deformation of polycrystalline metals. Capturing accurately the behaviour of these internal interfaces is particularly important for applications where the relative grain boundary fraction is significant, such as ultra fine-grained metals, thin films and micro-devices. Incorporating these micro-scale interactions (which are sensitive to a number of dislocation, interface and crystallographic parameters) within a macro-scale crystal plasticity model poses a challenge. The innovative features in the present paper include (i) the formulation of a thermodynamically consistent grain boundary interface model within a microstructurally motivated strain gradient crystal plasticity framework, (ii) the presence of intra-grain slip system coupling through a microstructurally derived internal stress, (iii) the incorporation of inter-grain slip system coupling via an interface energy accounting for both the magnitude and direction of contributions to the residual defect from all slip systems in the two neighbouring grains, and (iv) the numerical implementation of the grain boundary model to directly investigate the influence of the interface constitutive parameters on plastic deformation. The model problem of a bicrystal deforming in plane strain is analysed. The influence of dissipative and energetic interface hardening, grain misorientation, asymmetry in the grain orientations and the grain size are systematically investigated. In each case, the crystal response is compared with reference calculations with grain boundaries that are either ‘microhard’ (impenetrable to dislocations) or ‘microfree’ (an infinite dislocation sink).     

Shear band bifurcations in ductile single crystals

A shear band bifurcation analysis for a multiply slipping ductile single crystal is presented. The crystal is rate independent, and crystallographic slip is governed by Schmid's law. Attention is focused on double slip in a tensile deformation, so that comparison with previous studies is feasible. The results, which consider the rigid-plastic and elastic-plastic cases separately, show several qualitative features in agreement with experiment and with earlier analytical work based on a plane strain model. The shear band orientations exhibit the expected tendency, but the critical strain hardening values obtained here, while positive, are quite low. The present results also indicate the ready availability of non-uniform slip patterns, or ‘patchy slip’, a phenomenology consistent both with experimental observations and recent numerical studies.     

Free energy of dislocations in a multi-slip geometry

The collective dynamics of dislocations is the underlying mechanism of plastic deformation in metallic crystals. Dislocation motion in metals generally occurs on multiple slip systems. The simultaneous activation of different slip systems plays a crucial role in crystal plasticity models. In this contribution, we study the energetic interactions between dislocations on different slip systems by deriving the free energy in a multi-slip geometry. In this, we restrict ourselves to straight and parallel edge dislocations. The obtained free energy has a long-range mean-field contribution, a statistical contribution and a many-body contribution. The many-body contribution is a local function of the total dislocation density on each slip system, and can therefore not be written in terms of the net dislocation density only. Moreover, this function is a strongly non-linear and non-convex function of the density on different slip systems, and hence the coupling between slip systems is of great importance.     

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.