Crystal plasticity finite element modelling of low cycle fatigue in fcc metals

A new dislocation-based model for low cycle fatigue in fcc metals at a length scale smaller than the feature size of the dislocation structures is presented. It uses the crystal plasticity finite element method and dislocation densities as internal variables. Equations for the dipole distance distribution, for the double cross slip mechanism and a new dislocation multiplication law are introduced, which can predict the emergence of vein and channel structures starting from a randomly perturbed dislocation distribution. The characteristics of these structures in copper and aluminium, as well as the mechanical properties, are compared with experiments. Compared with existing density-based theories, the capability to reproduce dislocation patterning is a significant step forward.     

Unit cell debonding analyses for arbitrary orientation of plastic anisotropy

Debonding of rigid inclusions embedded in the elastic–plastic aluminum alloy Al 2090-T3 is analyzed numerically using a unit cell model taking full account of finite strains. The cell is subjected to overall biaxial plane strain tension and periodical boundary conditions are applied to represent arbitrary orientations of plastic anisotropy. Plastic anisotropy is considered using two phenomenological anisotropic yield criteria, namely Hill [Proceedings of the Royal Society of London A 193 (1948) 281] and Barlat et al. [International Journal of Plasticity 7 (1991) 693]. For this material plastic anisotropy delays debonding compared to plastic isotropy except for the case of Hill’s yield function when the tensile directions coincided with the principal axes of anisotropy. For some inclinations of the principal axes of anisotropy relative to the tensile directions, the stress strain responses are identical but the deformation modes are mirror images of each other.     

Modeling texture evolution in equal channel angular extrusion using crystal plasticity finite element models

A new approach to modeling crystallographic texture evolution in Equal Channel Angular Extrusion (ECAE) is presented in this paper. The proposed approach utilizes an elastic–viscoplastic single crystal constitutive model implemented in a finite element framework. A representative volume element of the polycrystal is subjected to boundary conditions that simulate the approximate deformation history experienced by different regions of the sample (at different through-thickness depths) in both Route A and Route C processing. The proposed approach aims to capture the influence of the complex interactions that ensue among the constituent individual crystals of a polycrystal in controlling the texture evolution in the sample, while capturing the boundary conditions inherent to ECAE deformation. The predictions from the proposed approach are compared against previously reported experimental measurements in ECAE of copper. It is observed that the proposed approach provides significantly better agreement with the measurements when compared against previously reported model predictions.     

Multiscale modelling of asymmetric rolling with an anisotropic constitutive law

A parametric study is presented, which employs a new anisotropic constitutive law in order to study the influence of anisotropic plasticity on the deformation field of the Asymmetric Rolling (ASR) process. A version of the facet method is presented, where an analytical yield function is restricted to the subspace of the stress and strain rate space relevant for 2D Finite Element Analysis (FEA), but can still accurately reproduce the plastic anisotropy of an underlying Crystal Plasticity (CP) model. The influence of anisotropy on the deformation field and corresponding texture evolution is examined in terms of the changes in texture component volume fractions and formation of texture gradients. It is found that a material with the anisotropy of a sharp cold-rolled aluminium alloy is more beneficial than that of a recrystallised hot-rolled aluminium alloy, and this influence of anisotropy suggests that Asymmetric Rolling (ASR) may be best carried out in the latest stages of cold rolling.     

An atomistically-informed dislocation dynamics model for the plastic anisotropy and tension-compression asymmetry of BCC metals

Atomistic simulations have shown that a screw dislocation in body-centered cubic (BCC) metals has a complex non-planar atomic core structure. The configuration of this core controls their motion and is affected not only by the usual resolved shear stress on the dislocation, but also by non-driving stress components. Consequences of the latter are referred to as non-Schmid effects. These atomic and micro-scale effects are the reason slip characteristics in deforming single and polycrystalline BCC metals are extremely sensitive to the direction and sense of the applied load. In this paper, we develop a three-dimensional discrete dislocation dynamics (DD) simulation model to understand the relationship between individual dislocation glide behavior and macro-scale plastic slip behavior in single crystal BCC Ta. For the first time, it is shown that non-Schmid effects on screw dislocations of both {110} and {112} slip systems must be implemented into the DD models in order to predict the strong plastic anisotropy and tension-compression asymmetry experimentally observed in the stress-strain curves of single crystal Ta. Incorporation of fundamental atomistic information is critical for developing a physics-based, predictive meso-scale DD simulation tool that can connect length/time scales and investigate the underlying mechanisms governing the deformation of BCC metals.     

The evolution of Hooke's law due to texture development in FCC polycrystals

Initially isotropic aggregates of crystalline grains show a texture-induced anisotropy of both their inelastic and elastic behavior when submitted to large inelastic deformations. The latter, however, is normally neglected, although experiments as well as numerical simulations clearly show a strong alteration of the elastic properties for certain materials. The main purpose of the work is to formulate a phenomenological model for the evolution of the elastic properties of cubic crystal aggregates. The effective elastic properties are determined by orientation averages of the local elasticity tensors. Arithmetic, geometric, and harmonic averages are compared. It can be shown that for cubic crystal aggregates all of these averages depend on the same irreducible fourth-order tensor, which represents the purely anisotropic portion of the effective elasticity tensor. Coupled equations for the flow rule and the evolution of the anisotropic part of the elasticity tensor are formulated. The flow rule is based on an anisotropic norm of the stress deviator defined by means of the elastic anisotropy. In the evolution equation for the anisotropic part of the elasticity tensor the direction of the rate of change depends only on the inelastic rate of deformation. The evolution equation is derived according to the theory of isotropic tensor functions. The transition from an elastically isotropic initial state to a (path-dependent) final anisotropic state is discussed for polycrystalline copper. The predictions of the model are compared with micro–macro simulations based on the Taylor–Lin model and experimental data.     

An explicit formulation for multiscale modeling of bcc metals

Many materials for specialized applications exhibit a body-centered cubic structure; e.g., tantalum, vanadium, barium and chromium. In addition, the successful modeling of body-centered cubic (bcc) metals is a necessary step toward modeling of common structural materials such as iron. Implicit formulations for this class of materials exist [e.g., Stainier, L., Cuitiño, A., Ortiz, M., 2002. A micromechanical model of hardening, rate sensitivity, and thermal softening in bcc crystals. Journal of the Mechanics and Physics of Solids 50 (7), 1511–1545; Kuchnicki, S., Radovitzky, R., Cuitiño, A., Strachan, A., Ortiz, M., 2007. A pressure-dependent multiscale model for bcc metals], but are impractical to resolve large-scale dynamic deformation processes. In this article, we describe a procedure analogous to Kuchnicki et al. [Kuchnicki, S., Cuitiño, A., Radovitzky, R., 2006. Efficient and robust constitutive integrators for single-crystal plasticity modeling. International Journal of Plasticity 22 (10), 1988–2011]. wherein we construct an explicit formulation for the multiscale physics models. This update is based on the model of Kuchnicki et al. (in preparation) using a power law representation for the plastic slip rates. The existing implicit form of the model provides qualitative matching with experiments at quasi-static strain rates. The model is recast in an explicit form and applied first to a high quasi-static strain rate to verify that the two forms of the model return similar predictions for similar input parameters. The explicit model is also applied to several high strain rates, showing that it captures characteristic features observed in experimental tests of high-rate deformations, such as the drop in stress immediately after yield that is present in split Hopkinson pressure bar (SHPB) experiments. This test provides qualitative evidence that the model is suitable for high-strain-rate applications. The utility of the model is further demonstrated by a one-dimensional simulation of a SHPB test. Finally, a test case modeling pressure impact of a Tantalum plate using 600,000 elements is shown. The simulations show that the explicit model is capable of recovering the salient features of the experiments while integrating the constitutive update in a robust manner.     

On plastic anisotropy of constitutive model for rate-dependent single crystal

An algorithm for single crystals was developed and implemented to simulate plastic anisotropy using a rate-dependent slip model. The proposed procedure was a slightly modified form of single crystal constitutive model of Sarma and Zacharia. Modified Euler method, together with Newton-Raphson method was used to integrate this equation which was stable and efficient. The model together with the developed algorithm was used to study three problems. First, plastic anisotropy was examined by simulating the crystal deformation in tension and plane strain compression, respectively. Secondly, the orientation effect of some material parameters in the model and applied strain rate on plastic anisotropy for single crystal also is investigated. Thirdly, the influence of loading direction on the active slip system was discussed.     

Multiscale modelling of the plastic anisotropy and deformation texture of polycrystalline materials

A hierarchical multilevel method is presented for the plastic deformation of polycrystalline materials with texture-induced anisotropy. It is intended as a constitutive material model for finite element codes for the simulation of metal forming processes or for the prediction of forming limits. It consists of macroscopic models of which the parameters are to be identified using the results of two-level (meso/macro) or three-level (micro/meso/macro) models. A few such two-level models are presented, ranging from the full-constraints Taylor model to the crystal-plasticity finite element models, including the grain interaction models GIA, LAMEL and ALAMEL. Validation efforts based on experimental cold rolling textures obtained for steel and aluminium alloys are shortly discussed. An assessment is also given of the assumptions of the LAMEL and ALAMEL models concerning stress and strain rate heterogeneity at grain boundaries, based on the results of a crystal plasticity finite element study. Finally a recent three-level model which also looks at the microscopic level (dislocation substructure) is discussed.     

晶粒数量对多晶集合体初始各向异性的影响

Taylor类多晶晶体粘塑性模型被用于研究晶粒数量对随机分布多晶体拉伸塑性各向异性的影响。分别沿包含不同晶粒数量的多晶集合体的各方向进行单向拉伸数值模拟实验,得到多晶集合体各方向在一定等效应变下的等效应力,并用云图和等高线表示在多晶体的参考球面上。定义了描述多晶集合体各向异性程度的参考指标。讨论了三种确定晶体随机取向的方法。计算结果表明：晶粒数量有限的多晶集合体的应力应变响应仍有一定的各向异性,且随着晶粒数量增多,多晶集合体的各向异性程度降低;就所包含晶粒数相同的多晶集合体来说,在确定晶粒随机取向时,选取不同的方法对它的各向异性程度也有一定的影响。     

Multiscale modeling of the plasticity in an aluminum single crystal

This paper describes a numerical, hierarchical multiscale modeling methodology involving two distinct bridges over three different length scales that predicts the work hardening of face centered cubic crystals in the absence of physical experiments. This methodology builds a clear bridging approach connecting nano-, micro- and meso-scales. In this methodology, molecular dynamics simulations (nanoscale) are performed to generate mobilities for dislocations. A discrete dislocations numerical tool (microscale) then uses the mobility data obtained from the molecular dynamics simulations to determine the work hardening. The second bridge occurs as the material parameters in a slip system hardening law employed in crystal plasticity models (mesoscale) are determined by the dislocation dynamics simulation results. The material parameters are computed using a correlation procedure based on both the functional form of the hardening law and the internal elastic stress/plastic shear strain fields computed from discrete dislocations. This multiscale bridging methodology was validated by using a crystal plasticity model to predict the mechanical response of an aluminum single crystal deformed under uniaxial compressive loading along the [4 2 1] direction. The computed strain-stress response agrees well with the experimental data.     

Multiscale modeling of irradiated polycrystalline FCC metals

We propose a set of models for the post-irradiation deformation response of polycrystalline FCC metals. First, a defect- and dislocation-density based evolution model is developed to capture the features of irradiation-induced hardening as well as intra-granular softening. The proposed hardening model is incorporated within a rate-independent single crystal plasticity model. The result is a non-homogeneous deformation model that accounts for defect absorption on the active slip planes during plastic loading. The macroscopic non-linear constitutive response of the polycrystalline aggregate of the single crystal grains is then obtained using a micro–macro transition scheme, which is realized within a Jacobian-free multiscale method (JFMM). The Jacobian-free approach circumvents explicit computation of the tangent matrix at the macroscale by using a Newton–Krylov process. This has a major advantage in terms of storage requirements and computational cost over existing approaches based on homogenized material coefficients in which explicit Jacobian computation is required at every Newton step. The mechanical response of neutron-irradiated single and polycrystalline OFHC copper is studied and it is shown to capture experimentally observed grain-level phenomena.     

Assessment of plastic heterogeneity in grain interaction models using crystal plasticity finite element method

Micromechanical models aimed at simulating deformation textures and resulting plastic anisotropy need to incorporate local plastic strain heterogeneities arising from grain interactions for better predictions. The ALAMEL model [Van Houtte, P., Li, S., Seefeldt, M., Delannay, L. 2005. Deformation texture prediction: from the Taylor model to the advanced Lamel model. Int. J. Plasticity 21, 589–624], is one of the models in which the heterogeneous nature of plastic deformation in metals is introduced by accounting for the influence of a grain boundary on the cooperative deformation of adjacent grains. This is achieved by assuming that neighbouring grains undergo heterogeneous shear rates parallel to the grain boundary. The present article focuses on understanding the plastic deformation fields near the grain boundaries and the influence of grain interaction on intra-grain deformations. Crystal Plasticity Finite Element Method (CPFEM) is employed on a periodic unit cell consisting of four grains discretised into a large number of elements. A refined study of the local variation of strain rates, both along and perpendicular to the grain boundaries permits an assessment of the assumptions made in the ALAMEL model. It is shown that the ALAMEL model imbibes the nature of plastic deformation at the grain boundaries very well. However, near triple junctions, the influence of a third grain induces severe oscillations of the stress tensor, reflecting a singularity. According to CPFEM, such singularity can lead to grain subdivision by the formation of new boundaries originating at the triple junction.     

Orthotropic strain rate potential for the description of anisotropy in tension and compression of metals

In this paper, a macroscopic anisotropic strain rate potential, which can describe both the anisotropy and tension-compression asymmetry of the plastic response of textured metals is derived. This strain rate potential is the exact work-conjugate of the anisotropic stress potential CPB06 of Cazacu et al. (2006). Application of the developed strain rate potential to HCP high-purity alpha-titanium is presented.     

Hydrogen induced shear localization of the plastic flow in metals and alloys

Hydrogen enhanced localized plasticity (HELP) is a viable mechanism for hydrogen embrittlement supported by experimental observations. According to the HELP mechanism, hydrogen induced premature failures result from hydrogen induced plastic instability which leads to hydrogen assisted localized ductile processes. The objective of this work is to reveal the role of hydrogen in possibly localizing the macroscopic deformation into bands of intense shear using solid mechanics methodology. The hydrogen effect on material deformation is modeled through the hydrogen induced volume dilatation and the reduction in the local flow stress upon hydrogen dissolution into the lattice. Hydrogen in assumed to reside in both normal interstitial lattice sites (NILS) and reversible traps associated with the plastic deformation. The analysis of the plastic deformation and the conditions for plastic flow localization are carried out in plane strain uniaxial tension. For a given initial hydrogen concentration in the unstressed specimen, a critical macroscopic strain is identified at which shear localization commences.     

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.     

Effect of the kinematic hardening on the plastic anisotropy parameters for metallic sheets

The initial plastic anisotropy parameters are conventionally determined from the Lankford strain ratios defined by $r^{\psi }=\frac{{\epsilon }_{22}^{\mathrm{p}\psi }}{{\epsilon }_{33}^{\mathrm{p}\psi }}$ (ψ being the direction of the loading path). They are usually considered as constant parameters that are determined at a given value of the plastic strain far from the early stage of the plastic flow (i.e. equivalent plastic strain of ${\epsilon }_{\mathrm{eq}}^{\mathrm{p}}=0.2\text{\%}$) and typically at an equivalent plastic strain in between 20% and 50% of plastic strain failure (or material ductility). What prompts to question about the relevance of this determination, considering that this ratio does not remain constant, but changes with plastic strain. Accordingly, when the nonlinear evolution of the kinematic hardening is accounted for, the Lankford strain ratios are expected to evolve significantly during the plastic flow.In this work, a parametric study is performed to investigate the effect of the nonlinear kinematic hardening evolution of the Lankford strain ratios for different values of the kinematic hardening parameters. For the sake of clarity, this nonlinear kinematic hardening is formulated together with nonlinear isotropic hardening in the framework of anisotropic Hill-type (1948) yield criterion. Extension to other quadratic or non-quadratic yield criteria can be made without any difficulty. This parametric study is completed by studying the effect of these parameters on simulations of sheet metal forming by large plastic strains.     

Grain-boundary sliding and separation in polycrystalline metals: application to nanocrystalline fcc metals

In order to model the effects of grain boundaries in polycrystalline materials we have coupled a crystal-plasticity model for the grain interiors with a new elastic-plastic grain-boundary interface model which accounts for both reversible elastic, as well irreversible inelastic sliding-separation deformations at the grain boundaries prior to failure. We have used this new computational capability to study the deformation and fracture response of nanocrystalline nickel. The results from the simulations reflect the macroscopic experimentally observed tensile stress-strain curves, and the dominant microstructural fracture mechanisms in this material. The macroscopically observed nonlinearity in the stress-strain response is mainly due to the inelastic response of the grain boundaries. Plastic deformation in the interior of the grains prior to the formation of grain-boundary cracks was rarely observed. The stress concentrations at the tips of the distributed grain-boundary cracks, and at grain-boundary triple junctions, cause a limited amount of plastic deformation in the high-strength grain interiors. The competition of grain-boundary deformation with that in the grain interiors determines the observed macroscopic stress-strain response, and the overall ductility. In nanocrystalline nickel, the high-yield strength of the grain interiors and relatively weaker grain-boundary interfaces account for the low ductility of this material in tension.