Numerical simulations of necking during tensile deformation of aluminum single crystals

Finite element simulations are used to study strain localization during uniaxial tensile straining of a single crystal with properties representative of pure Al. The crystal is modeled using a constitutive equation incorporating self- and latent-hardening. The simulations are used to investigate the influence of the initial orientation of the loading axis relative to the crystal, as well as the hardening and strain rate sensitivity of the crystal on the strain to localization. We find that (i) the specimen fails by diffuse necking for strain rate exponents m < 100, and a sharp neck for m > 100. (ii) The strain to localization is a decreasing function of m for m < 100, and is relatively insensitive to m for m > 100. (iii) The strain to localization is a minimum when the tensile axis is close to (but not exactly parallel to) a high symmetry direction such as [1 0 0] or [1 1 1] and the variation of the strain to localization with orientation is highly sensitive to the strain rate exponent and latent-hardening behavior of the crystal. This behavior can be explained in terms of changes in the active slip systems as the initial orientation of the crystal is varied.     

An efficient constitutive model for room-temperature,low-rate plasticity of annealed Mg AZ31B sheet

Metals and alloys with hexagonal close packed (HCP) crystal structures can undergo twinning in addition to dislocation slip when loaded mechanically. The complexity of the plastic response and the limited extent of twinning are impediments to their room-temperature formability and thus their widespread adoption. In order to exploit the unusual deformation characteristics of twinning sheet materials in designing novel forming operations, a practical plane stress material model for finite element implementation was sought. Such a model, TWINLAW, has been constructed based on three phenomenological deformation modes for Mg AZ31B: S (slip), T (twinning), and U (untwinning). The modes correspond to three testing regimes: initial in-plane tension (from the annealed state), initial in-plane compression, and in-plane tension following compression, respectively. A von Mises yield surface with initial non-zero back stress was employed to account for plastic yielding asymmetry, with evolution according to a novel isotropic and nonlinear kinematic hardening model. Texture and its evolution were represented throughout deformation using a weighted discrete probability density function of c-axis orientations. The orientation of c-axes evolves with twinning or untwinning using explicit rules incorporated in the model.     

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 (101&#x0304;) 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)[11&#x0304;0], (111&#x0304;)[11&#x0304;0], (11&#x0304;;1&#x0304;;)[110], and (11&#x0304;1)[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 (101&#x0304;;) of the single crystal, slip systems (11&#x0304;;1)[110], (11&#x0304;1)[011], (111)[11&#x0304;0], and (111)[01&#x0304;1] 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.     

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.     

Size effects in generalised continuum crystal plasticity for two-phase laminates

The solutions of a boundary value problem are explored for various classes of generalised crystal plasticity models including Cosserat, strain gradient and micromorphic crystal plasticity. The considered microstructure consists of a two-phase laminate containing a purely elastic and an elasto-plastic phase undergoing single or double slip. The local distributions of plastic slip, lattice rotation and stresses are derived when the microstructure is subjected to simple shear. The arising size effects are characterised by the overall extra back stress component resulting from the action of higher order stresses, a characteristic length l_c describing the size-dependent domain of material response, and by the corresponding scaling law lⁿ as a function of microstructural length scale, l. Explicit relations for these quantities are derived and compared for the different models. The conditions at the interface between the elastic and elasto-plastic phases are shown to play a major role in the solution. A range of material parameters is shown to exist for which the Cosserat and micromorphic approaches exhibit the same behaviour. The models display in general significantly different asymptotic regimes for small microstructural length scales. Scaling power laws with the exponent continuously ranging from 0 to −2 are obtained depending on the values of the material parameters. The unusual exponent value −2 is obtained for the strain gradient plasticity model, denoted “curl H^p” in this work. These results provide guidelines for the identification of higher order material parameters of crystal plasticity models from experimental data, such as precipitate size effects in precipitate strengthened alloys.     

Texture and strain localization prediction using a N-site polycrystal model

Most polycrystal models of plastic deformation rely on the assumption that strain and stress are uniform within the domain of each grain. Comparison between measured and predicted textures suggests that this assumption is realistic for most single-phase aggregates and crystal symmetries. In this paper, we implement a self-consistent N-site model that allows one to account for strain localization and local misorientation near grain boundaries. We apply this model to face centered cubic (fcc) and hexagonal close packed (hcp) aggregates, and analyze the similarities and differences with a one-site model that assumes uniform stress and strain-rate within a grain. We find that the assumption of uniformity is justified in first order. We discuss the implications of the N-site model for the simulation of systems with hard inclusions, orientation correlations, and recrystallization mechanisms.     

Relations between twin and slip in parent lattice due to kinematic compatibility at interfaces

The relationships between a slip system in the parent lattice and its transform by twinning shear are considered in regards to tangential continuity conditions on the plastic distortion rate at twin/parent interface. These conditions are required at coherent interfaces like twin boundaries, which can be assigned zero surface-dislocation content. For two adjacent crystals undergoing single slip, relations between plastic slip rates, slip directions and glide planes are accordingly deduced. The fulfillment of these conditions is investigated in hexagonal lattices at the onset of twinning in a single slip deforming parent crystal. It is found that combinations of slip system and twin variant verifying the tangential continuity of the plastic distortion rate always exist. In all cases, the Burgers vector belongs to the interface. Certain twin modes are only admissible when slip occurs along an 〈a〉 direction of the hexagonal lattice, and some others only with a 〈c + a〉 slip. These predictions are in agreement with EBSD orientation measurements in commercially pure Ti sheets after plane strain compression.     

A comparison between crystal and isotropic strain gradient plasticity theories with accent on the role of the plastic spin

In the small deformation range, we consider crystal and isotropic “higher-order” theories of strain gradient plasticity, in which two different types of size effects are accounted for: (i) that dissipative, entering the model through the definition of an effective measure of plastic deformation peculiar of the isotropic hardening function and (ii) that energetic, included by defining the defect energy (i.e., a function of Nye's dislocation density tensor added to the free energy; see, e.g., [Gurtin, M.E., 2002. A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations. J. Mech. Phys. Solids 50, 5–32]). In order to compare the two modellings, we recast both of them into a unified deformation theory framework and apply them to a simple boundary value problem for which we can exploit the Γ-convergence results of [Bardella, L., Giacomini, A., 2008. Influence of material parameters and crystallography on the size effects describable by means of strain gradient plasticity. J. Mech. Phys. Solids 56 (9), 2906–2934], in which the crystal model is made isotropic by imposing that any direction be a possible slip system. We show that the isotropic modelling can satisfactorily approximate the behaviour described by the isotropic limit obtained from the crystal modelling if the former constitutively involves the plastic spin, as in the theory put forward in Section 12 of [Gurtin, M.E., 2004. A gradient theory of small-deformation isotropic plasticity that accounts for the Burgers vector and for dissipation due to plastic spin. J. Mech. Phys. Solids 52, 2545–2568]. The analysis suggests a criterium for choosing the material parameter governing the plastic spin dependence into the relevant Gurtin model.     

Cylindrical void in a rigid-ideally plastic single crystal II: Experiments and simulations

Experimental results and finite element simulations of plastic deformation around a cylindrical void in single crystals are presented to compare with the analytical solutions in a companion paper: Cylindrical void in a rigid-ideally plastic single crystal I: Anisotropic slip line theory solution for face-centered cubic crystals [Kysar, J.W., Gan, Y.X., Mendez-Arzuza, G., 2005. Cylindrical void in a rigid-ideally plastic single crystal I: Anisotropic slip line theory solution for face-centered cubic crystals, International Journal of Plasticity, 21, 1481–1520]. In the first part of the present paper, the theoretical predictions of the stress and deformation field around a cylindrical void in face-centered cubic (FCC) single crystals are briefly reviewed. Secondly, electron backscatter diffraction results are presented to show the lattice rotation discontinuities at boundaries between regions of single slip around the void as predicted in the companion paper. In the third part of the paper, the finite element method has been employed to simulate the anisotropic plastic deformation behavior of FCC single crystals which contain cylindrical voids under plane strain condition. The results of the simulation are in good agreement with the prediction by the anisotropic slip line theory.     

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.     

Roles of plastic spin in shear banding

In this paper, the effects of plastic spin on shear banding and simple shear are examined systematically. Three types of plastic constitutive model with plastic spin are considered: (i) a non-coaxial model in which the direction of the plastic strain rate depends on that of the stress rate; (ii) a strain-softening model based on the J₂ flow theory; and (iii) the pressure-sensitive porous plasticity model. All the constitutive models are formulated in viscoplastic forms and in conjunction with non-local concepts that have been recently focused and discussed. First, behavior in simple shear is examined by numerical analysee with the aforementioned constitutive models. Moreover, some experimental evidences for stress response to simple shear are shown; that is, several large torsion tests of metal tubes and bars are carried out. Next, finite element simulations of shear banding in plane strain tension are performed. A critical effect of plastic spin on shear banding is observed for the noncoaxial model, while an almost negligible effect is observed for the porous model. The identical effects of plastic spin are observed, whether nonlocality exists or not. Finally, we discuss the relationship between the behavior in simple shear and the shear band formation. It is emphasized that this is a critical issue in predicting shear banding in macroscopic grounds.     

Simulation of polycrystal deformation with grain and grain boundary effects

Modeling the strengthening effect of grain boundaries (Hall-Petch effect) in metallic polycrystals in a physically consistent way, and without invoking arbitrary length scales, is a long-standing, unsolved problem. A two-scale method to treat predictively the interactions of large numbers of dislocations with grain boundaries has been developed, implemented, and tested. At the first scale, a standard grain-scale simulation (GSS) based on a finite element (FE) formulation makes use of recently proposed dislocation-density-based single-crystal constitutive equations (“SCCE-D”) to determine local stresses, strains, and slip magnitudes. At the second scale, a novel meso-scale simulation (MSS) redistributes the mobile part of the dislocation density within grains consistent with the plastic strain, computes the associated inter-dislocation back stress, and enforces local slip transmission criteria at grain boundaries.Compared with a standard crystal plasticity finite element (FE) model (CP-FEM), the two-scale model required only 5% more CPU time, making it suitable for practical material design. The model confers new capabilities as follows:

(1)

The two-scale method reproduced the dislocation densities predicted by analytical solutions of single pile-ups.

(2)

Two-scale simulations of 2D and 3D arrays of regular grains predicted Hall-Petch slopes for iron of 1.2 ± 0.3 MN/m^3/2 and 1.5 ± 0.3 MN/m^3/2, in agreement with a measured slope of 0.9 ± 0.1 MN/m^3/2.

(3)

The tensile stress-strain response of coarse-grained Fe multi-crystals (9-39 grains) was predicted 2-4 times more accurately by the two-scale model as compared with CP-FEM or Taylor-type texture models.

(4)

The lattice curvature of a deformed Fe-3% Si columnar multi-crystal was predicted and measured. The measured maximum lattice curvature near grain boundaries agreed with model predictions within the experimental scatter.

     

A dislocation density-based single crystal constitutive equation

Single crystal constitutive equations based on dislocation density (SCCE-D) were developed from Orowan’s strengthening equation and simple geometric relationships of the operating slip systems. The flow resistance on a slip plane was computed using the Burger’s vector, line direction, and density of the dislocations on all other slip planes, with no adjustable parameters. That is, the latent/self-hardening matrix was determined by the crystallography of the slip systems alone. The multiplication of dislocations on each slip system incorporated standard 3-parameter dislocation density evolution equations applied to each slip system independently; this is the only phenomenological aspect of the SCCE-D model. In contrast, the most widely used single crystal constitutive equations for texture analysis (SCCE-T) feature 4 or more adjustable parameters that are usually back-fit from a polycrystal flow curve. In order to compare the accuracy of the two approaches to reproduce single crystal behavior, tensile tests of single crystals oriented for single slip were simulated using crystal plasticity finite element modeling. Best-fit parameters (3 for SCCE-D, 4 for SCCE-T) were determined using either multiple or single slip stress–strain curves for copper and iron from the literature. Both approaches reproduced the data used for fitting accurately. Tensile tests of copper and iron single crystals oriented to favor the remaining combinations of slip systems were then simulated using each model (i.e. multiple slip cases for equations fit to single slip, and vice versa). In spite of fewer fit parameters, the SCCE-D predicted the flow stresses with a standard deviation of 14 MPa, less than one half that for the SCCE-T conventional equations: 31 MPa. Polycrystalline texture simulations were conducted to compare predictions of the two models. The predicted polycrystal flow curves differed considerably, but the differences in texture evolution were insensitive to the type of constitutive equations. The SCCE-D method provides an improved representation of single-crystal plastic response with fewer adjustable parameters, better accuracy, and better predictivity than the constitutive equations most widely used for texture analysis (SCCE-T).     

Crack tip singular fields in ductile crystals with taylor power-law hardening. I: Anti-plane shear

Asymptotic singular solutions of the HRR type are presented for anti-plane shear cracks in ductile crystals. These are assumed to undergo Taylor hardening with a power-law relation between stress and strain at sufficiently large strain. Results are given for several crack orientations in fcc and bcc crystals. The neartip region divides into angular sectors which are the maps of successive flat segments and vertices on the yield locus. Analysis is simplified by use of new general integrals of crack tip singular fields of the HRR type. It is conjectured that the single crystal HRR fields are dominant only over part of the plastic region immediately adjacent to the crack tip, even at small scale yielding, and that their domain of validity vanishes as the perfectly plastic limit is approached. This follows from the fact that while in the perfectly plastic limit the HRR stress states approach the correct discontinuous distributions of the complete elasticideally plastic solutions for crystals (Rice and Nikolic, J. Mech. Phys. Solids33, 595 (1985)), the HRR displacement fields in that limit remain continuous. Instead, the complete elastic-ideally plastic solutions have discontinuous displacements along planar plastic regions emanating from the tip in otherwise elastically stressed material. The approach of the HRR stress fields to their discontinuous limiting distributions is illustrated in graphical plots of results. A case examined here of a fcc crystal with a crack along a slip plane is shown to lead to a discontinuous near-tip stress state even in the hardening regime.Through another limiting process, the asymptotic solution for the near-tip field for an isotropic material is also derived from the present single crystal framework.     

Anisotropic responses, constitutive modeling and the effects of strain-rate and temperature on the formability of an aluminum alloy

Finite deformation anisotropic responses of AA5182-O, over a wide range of strain-rates (10⁻⁴ to 10⁰ s⁻¹) and temperatures (293-473 K) are presented. The plastic anisotropy parameters were experimentally determined from tensile experiments using specimens from sheet material. Using the experimental results under plane stress conditions, the anisotropy coefficients for Barlat’s yield function (YLD96) were calculated at different strain-rates and temperatures. The correlations obtained from YLD96 are in good agreement with the observed experimental results. The strain-rate sensitivity of AA5182-O alloy changed from negative at 293 K to positive at 473 K. Khan-Huang-Liang (KHL) constitutive model is shown to correlate the observed strain-rate and temperature dependent responses reasonably well. The material parameters were obtained from the experimental responses along the rolling direction (RD) of the sheet. Marciniak and Kuckzinsky (M-K) theory was used to obtain the theoretical strain and stress-based forming limit curves (FLCs) at different strain-rates and temperatures. The experimental result from the published literature is compared with the FLCs from the current study.     

A dislocation density based material model to simulate the anisotropic creep behavior of single-phase and two-phase single crystals

The primary and secondary creep behavior of single crystals is observed by a material model using evolution equations for dislocation densities on individual slip systems. An interaction matrix defines the mutual influence of dislocation densities on different glide systems. Face-centered cubic (fcc), body-centered cubic (bcc) and hexagonal closed packed (hcp) lattice structures have been investigated. The material model is implemented in a finite element method to analyze the orientation dependent creep behavior of two-phase single crystals. Three finite element models are introduced to simulate creep of a γ′ strengthened nickel base superalloy in 〈1 0 0〉, 〈1 1 0〉 and 〈1 1 1〉 directions. This approach allows to examine the influence of crystal slip and cuboidal microstructure on the deformation process.     

On a formulation for anisotropic elastoplasticity at finite strains invariant with respect to the intermediate configuration

The paper is concerned with a formulation of anisotropic finite strain inelasticity based on the multiplicative decomposition of the deformation gradient F=F_eF_p. A major feature of the theory is its invariance with respect to rotations superimposed on the inelastic part of the deformation gradient. The paper motivates and shows how such an invariance can be achieved. At the heart of the formulation is the mixed-variant transformation of the structural tensor, defined as the tensor product of the privileged directions of the material as given in a reference configuration, under the action of F_p. Issues related to the plastic material spin are discussed in detail. It is shown that, in contrast to the isotropic case, any flow function formulated purely in terms of stress quantities, necessarily exhibits a non-vanishing plastic material spin. The possible construction of spin-free rates is discussed as well, where it is shown that the flow rule must then depend not only on the stress but on the strain as well.     

A method of generating analytical yield surfaces of crystalline materials

An analytical representation of the yield loci of single crystals obeying the Schmid law is examined. It involves an exponent n. The study is conducted first in the fcc case, but it can be extended to more complex modes of slip. A method of predicting the plastic behaviour of polycrystals from the knowledge of their texture is then derived. It leads to completely analytical formulae and is compatible with the assumption of uniform stress. In case n = 2, it is equivalent to Hill's 1948 yield criterion but experiments show that the values of the best-fitting n are higher than 2. These larger values account for phenomena which cannot be predicted by the quadratic criterion, such as ‘anomalous behaviour’. Further reflection leads us to propose an alternative method of averaging, characterized by the introduction of a second exponent m. The effect of m is to realize a fair balance between the contributions of the various crystallographic components to the global mechanical behaviour. The comparison with experimental data from two aluminium sheets shows that it leads to an improvement in the predictions of the values of the strain rate ratio.     

A dislocation-based constitutive law for pure Zr including temperature effects

In this work, a single crystal constitutive law for multiple slip and twinning modes in single phase hcp materials is developed. For each slip mode, a dislocation population is evolved explicitly as a function of temperature and strain rate through thermally-activated recovery and debris formation and the associated hardening includes stage IV. A stress-based hardening law for twin activation accounts for temperature effects through its interaction with slip dislocations. For model validation against macroscopic measurement, this single crystal law is implemented into a visco-plastic-self-consistent (VPSC) polycrystal model which accounts for texture evolution and contains a subgrain micromechanical model for twin reorientation and morphology. Slip and twinning dislocations interact with the twin boundaries through a directional Hall–Petch mechanism. The model is adjusted to predict the plastic anisotropy of clock-rolled pure Zr for three different deformation paths and at four temperatures ranging from 76 K to 450 K (at a quasi-static rate of 10⁻³ 1/s). The model captures the transition from slip-dominated to twinning-dominated deformation as temperature decreases, and identifies microstructural mechanisms, such as twin nucleation and twin–slip interactions, where future characterization is needed.     

Drag law for monodisperse gas–solid systems using particle-resolved direct numerical simulation of flow past fixed assemblies of spheres

Gas–solid momentum transfer is a fundamental problem that is characterized by the dependence of normalized average fluid–particle force F on solid volume fraction ? and the Reynolds number based on the mean slip velocity Re_m. In this work we report particle-resolved direct numerical simulation (DNS) results of interphase momentum transfer in flow past fixed random assemblies of monodisperse spheres with finite fluid inertia using a continuum Navier–Stokes solver. This solver is based on a new formulation we refer to as the Particle-resolved Uncontaminated-fluid Reconcilable Immersed Boundary Method (PUReIBM). The principal advantage of this formulation is that the fluid stress at the particle surface is calculated directly from the flow solution (velocity and pressure fields), which when integrated over the surfaces of all particles yields the average fluid–particle force. We demonstrate that PUReIBM is a consistent numerical method to study gas–solid flow because it results in a force density on particle surfaces that is reconcilable with the averaged two-fluid theory. The numerical convergence and accuracy of PUReIBM are established through a comprehensive suite of validation tests. The normalized average fluid–particle force F is obtained as a function of solid volume fraction ? (0.1 ? ? ? 0.5) and mean flow Reynolds number Re_m (0.01 ? Re_m ? 300) for random assemblies of monodisperse spheres. These results extend previously reported results of  and  to a wider range of ?, Re_m, and are more accurate than those reported by Beetstra et al. (2007). Differences between the drag values obtained from PUReIBM and the drag correlation of Beetstra et al. (2007) are as high as 30% for Re_m in the range 100–300. We take advantage of PUReIBM’s ability to directly calculate the relative contributions of pressure and viscous stress to the total fluid–particle force, which is useful in developing drag correlations. Using a scaling argument, Hill et al. (2001b) proposed that the viscous contribution is independent of Re_m but the pressure contribution is linear in Re_m (for Re_m > 50). However, from PUReIBM simulations we find that the viscous contribution is not independent of the mean flow Reynolds number, although the pressure contribution does indeed vary linearly with Re_m in accord with the analysis of Hill et al. (2001b). An improved correlation for F in terms of ? and Re_m is proposed that corrects the existing correlations in Re_m range 100–300. Since this drag correlation has been inferred from simulations of fixed particle assemblies, it does not include the effect of mobility of the particles. However, the fixed-bed simulation approach is a good approximation for high Stokes number particles, which are encountered in most gas–solid flows. This improved drag correlation can be used in CFD simulations of fluidized beds that solve the average two-fluid equations where the accuracy of the drag law affects the prediction of overall flow behavior.