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.     

On the coupling of plastic slip and deformation-induced twinning in magnesium: A variationally consistent approach based on energy minimization

The present paper is concerned with the analysis of the deformation systems in single crystal magnesium at the micro-scale and with the resulting texture evolution in a polycrystal representing the macroscopic mechanical response. For that purpose, a variationally consistent approach based on energy minimization is proposed. It is suitable for the modeling of crystal plasticity at finite strains including the phase transition associated with deformation-induced twinning. The method relies strongly on the variational structure of crystal plasticity theory, i.e., an incremental minimization principle can be derived which allows to determine the unknown slip rates by computing the stationarity conditions of a (pseudo) potential. Phase transition associated with twinning is modeled in a similar fashion. More precisely, a solid-solid phase transition corresponding to twinning is assumed, if this is energetically favorable. Mathematically speaking, the aforementioned transition can be interpreted as a certain rank-one convexification. Since such a scheme is computationally very expensive and thus, it cannot be applied to the analysis of a polycrystal, a computationally more efficient approximation is elaborated. Within this approximation, the deformation induced by twinning is decomposed into the reorientation of the crystal lattice and simple shear. The latter is assumed to be governed by means of a standard Schmid-type plasticity law (pseudo-dislocation), while the reorientation of the crystal lattice is considered, when the respective plastic shear strain reaches a certain threshold value. The underlying idea is in line with experimental observations, where dislocation slip within the twinned domain is most frequently seen, if the twin laminate reaches a critical volume. The resulting model predicts a stress-strain response in good agreement with that of a rank-one convexification method, while showing the same numerical efficiency as a classical Taylor-type approximation. Consequently, it combines the advantages of both limiting cases. The model is calibrated for single crystal magnesium by means of the channel die test and finally applied to the analysis of texture evolution in a polycrystal. Comparisons of the predicted numerical results to their experimental counterparts show that the novel model is able to capture the characteristic mechanical response of magnesium very well.     

A crystal plasticity theory for latent hardening by glide twinning through dislocation transmutation and twin accommodation effects

Imagine a residual glide twin interface advancing in a grain under the action of a monotonic stress. Close to the grain boundary, the shape change caused by the twin is partly accommodated by kinks and partly by slip emissions in the parent; the process is known as accommodation effects. When reached by the twin interface, slip dislocations in the parent undergo twinning shear. The twinning shear extracts from the parent dislocation a twinning disconnection, and thereby releases a transmuted dislocation in the twin. Transmutation populates the twin with dislocations of diverse modes. If the twin deforms by double twinning, double-transmutation occurs even if the twin retwins by the same mode or detwins by a stress reversal. If the twin deforms only by slip, transmutation is single. Whether single or double, dislocation transmutation is irreversible. The multiplicity of dislocation modes increases upon strain, since the twin finds more dislocations to transmute upon further slip of the parent and further growth of the twin. Thus, the process induces an increasing latent hardening rate in the twin. Under profuse twinning conditions, typical of double-lattice structures, this rate-increasing latent hardening combined with crystal rotation to hard orientations by twinning is consistent with a regime of increasing hardening rate, known as Regime II or Regime B. In this paper, we formulate governing equation of the above transmutation and accommodation effects in a crystal plasticity framework. We use the dislocation density based model originally proposed by Beyerlein and Tomé (2008) to derive the effect of latent hardening in a transmuting twin. The theory is expected to contribute to surmounting the difficulty that current models have to simultaneously predict under profuse twinning, the stress-strain curves, intermediate deformation textures, and intermediate twin volume fractions.     

Thermodynamically consistent phase field approach to dislocation evolution at small and large strains

A thermodynamically consistent, large strain phase field approach to dislocation nucleation and evolution at the nanoscale is developed. Each dislocation is defined by an order parameter, which determines the magnitude of the Burgers vector for the given slip planes and directions. The kinematics is based on the multiplicative decomposition of the deformation gradient into elastic and plastic contributions. The relationship between the rates of the plastic deformation gradient and the order parameters is consistent with phenomenological crystal plasticity. Thermodynamic and stability conditions for homogeneous states are formulated and satisfied by the proper choice of the Helmholtz free energy and the order parameter dependence on the Burgers vector. They allow us to reproduce desired lattice instability conditions and a stress-order parameter curve, as well as to obtain a stress-independent equilibrium Burgers vector and to avoid artificial dissipation during elastic deformation. The Ginzburg–Landau equations are obtained as the linear kinetic relations between the rate of change of the order parameters and the conjugate thermodynamic driving forces. A crystalline energy coefficient for dislocations is defined as a periodic step-wise function of the coordinate along the normal to the slip plane, which provides an energy barrier normal to the slip plane and determines the desired, mesh-independent height of the dislocation bands for any slip system orientation. Gradient energy contains an additional term, which excludes the localization of a dislocation within a height smaller than the prescribed height, but it does not produce artificial interface energy. An additional energy term is introduced that penalizes the interaction of different dislocations at the same point. Non-periodic boundary conditions for dislocations are introduced which include the change of the surface energy due to the exit of dislocations from the crystal. Obtained kinematics, thermodynamics, and kinetics of dislocations at large strains are simplified for small strains and rotations, as well.     

Interaction between phase transformations and dislocations at the nanoscale. Part 1. General phase field approach

Thermodynamically consistent, three-dimensional (3D) phase field approach (PFA) for coupled multivariant martensitic transformations (PTs), including cyclic PTs, variant–variant transformations (i.e., twinning), and dislocation evolution is developed at large strains. One of our key points is in the justification of the multiplicative decomposition of the deformation gradient into elastic, transformational, and plastic parts. The plastic part includes four mechanisms: dislocation motion in martensite along slip systems of martensite and slip systems of austenite inherited during PT and dislocation motion in austenite along slip systems of austenite and slip systems of martensite inherited during reverse PT. The plastic part of the velocity gradient for all these mechanisms is defined in the crystal lattice of the austenite utilizing just slip systems of austenite and inherited slip systems of martensite, and just two corresponding types of order parameters. The explicit expressions for the Helmholtz free energy and the transformation and plastic deformation gradients are presented to satisfy the formulated conditions related to homogeneous thermodynamic equilibrium states of crystal lattice and their instabilities. In particular, they result in a constant (i.e., stress- and temperature-independent) transformation deformation gradient and Burgers vectors. Thermodynamic treatment resulted in the determination of the driving forces for change of the order parameters for PTs and dislocations. It also determined the boundary conditions for the order parameters that include a variation of the surface energy during PT and exit of dislocations. Ginzburg–Landau equations for dislocations include variation of properties during PTs, which in turn produces additional contributions from dislocations to the Ginzburg–Landau equations for PTs. A complete system of coupled PFA and mechanics equations is presented. A similar theory can be developed for PFA to dislocations and other PTs, like reconstructive PTs and diffusive PTs described by the Cahn–Hilliard equation, as well as twinning and grain boundaries evolution.     

镁合金塑性机制研究综述

纯镁具有丰富的微观塑性机制,尤其是孪晶,导致其塑性变形错综复杂,力学性能也与常见的面心及体心立方金属有显著差异.由于现今学界对位错滑移与孪晶变形等塑性机制缺乏充分认识,镁合金性能调控效果尚不理想,与铝合金相比,镁合金的力学性能还有很大的提升空间.基于此背景,论文首先回顾了镁合金的发展历史与应用现状.然后介绍了镁中位错滑移与孪晶变形等塑性机制的研究进展,重点阐述位错、孪晶、晶界、析出相、溶质原子等重要的微结构,并简要介绍了计算机模拟方法,最后展望了强韧性能方面值得重视的若干研究方向.     

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.     

Numerical modeling of formability of extruded magnesium alloy tubes

In this paper, a constitutive framework based on a rate-dependent crystal plasticity theory is employed to simulate the large strain deformation phenomena in hexagonal closed-packed (HCP) metals such as magnesium. The new framework is incorporated into in-house codes. Simulations are performed using the new crystal plasticity model in which crystallographic slip and deformation twinning are the principal deformation mechanisms. Simulations of various stress states (uniaxial tension, uniaxial compression and the so-called ring hoop tension test) for the magnesium alloy AM30 are performed and the results are compared with experimental observations of specimens deformed at 200 °C. Numerical simulations of forming limit diagrams (FLDs) are also performed using the Marciniak–Kuczynski (M–K) approach. With this formulation, the effects of crystallographic slip and deformation twinning on the FLD can be assessed.     

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.     

镁合金晶体塑性本构模型与非均匀孪生变形分析

微结构演化对镁合金材料力学性能有着显著的影响,为了揭示镁合金宏观塑性各向异性特性与非均匀孪生变形的关系,开展了不同路径下的单轴加载试验以及采用含滑移、孪生机制的晶体塑性本构模型对试验条件下的镁合金变形行为进行数值模拟研究.文中本构模型描述了滑移与孪生变形机制以及晶格转动的机制,同时研究采用三维微结构代表性有限元模型,其包含晶粒尺寸、晶向和晶界倾角等微结构参数.研究结果表明,轧制镁合金具有强烈的宏观塑性各向异性行为,并对这种镁合金塑性各向异性行为的模拟结果以及多晶织构的模拟演化结果与试验测量进行对比,结果都基本吻合.对孪生非均匀变形模拟分析表明,镁合金宏观塑性各向异性行为与滑移、孪生变形机制的不同启动组合紧密相关,同时多晶体内应力的非均匀分布受到孪生变形的严重影响.而不同晶粒尺寸的晶粒所发生的孪生变形有比较大的差异,造成孪晶变体在晶粒内的分布极不均匀.该研究可为通过微结构的合理配置来设计和控制材料的力学性能提供理论依据.     

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.     

The effect of time-dependent twinning on low temperature (<0.25 ∗ Tm) creep of an alpha-titanium alloy

The low-temperature (less than one-fourth of the melting temperature) creep deformation behavior of hexagonally close-packed (HCP) α-Ti–1.6 wt.% V was investigated. Creep tests were performed at various temperatures between room temperature and 205 °C at 95% of the respective yield stress at the different temperatures. The creep strain rate was found to increase with increasing temperature. Scanning and transmission electron microscopy revealed that slip and unusually slow twin growth, or time-dependent twinning, are active deformation mechanisms for the entire temperature range of this investigation. The activation energy for creep of this alloy was calculated to identify the rate-controlling deformation mechanism, and was found to increase with increasing creep strain. At low strain, the activation energy for creep was found to be close to the previously calculated activation energy for slip. At high strain, the calculated activation energy indicates that both slip and twinning are significant deformation mechanisms. The appearance of twinning at high strains is explained by a model for twin nucleation by dislocation pileups.     

A nanoscale model of crystal plasticity

In this paper a nanoscale model of crystal plasticity is introduced. The model is characterized by distinct, separate slip surfaces on which discontinuity for the deformation function takes place. Slip displacements considered on the slip surfaces are a measure of plastic deformation. In the case when the slip surface does not intersect the whole body, evolution of boundary of this surface is also considered. Criteria for initiation and stopping of slips are discussed. Evolution equations for slip displacements and for the boundary of the slip surface displacements are introduced. Nanoscale modelling is expressed in the model by distinguishing slip surfaces as well as by the form of the free energy which takes into account details appropriate for this scale. In particular, criteria for initiation of slip are expressed by means of the form of the free energy. As a result the slip systems are also defined by means of this function. More fine effects such as inhomogeneities in crystal structure, induced by defects and dislocations, are represented within the model by internal state variables. The possibility of creep modelling within the concepts presented is discussed.     

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).     

Molecular-dynamics simulation-based cohesive zone representation of intergranular fracture processes in aluminum

A traction-displacement relationship that may be embedded into a cohesive zone model for microscale problems of intergranular fracture is extracted from atomistic molecular-dynamics (MD) simulations. An MD model for crack propagation under steady-state conditions is developed to analyze intergranular fracture along a flat Σ99 [1 1 0] symmetric tilt grain boundary in aluminum. Under hydrostatic tensile load, the simulation reveals asymmetric crack propagation in the two opposite directions along the grain boundary. In one direction, the crack propagates in a brittle manner by cleavage with very little or no dislocation emission, and in the other direction, the propagation is ductile through the mechanism of deformation twinning. This behavior is consistent with the Rice criterion for cleavage vs. dislocation blunting transition at the crack tip. The preference for twinning to dislocation slip is in agreement with the predictions of the Tadmor and Hai criterion. A comparison with finite element calculations shows that while the stress field around the brittle crack tip follows the expected elastic solution for the given boundary conditions of the model, the stress field around the twinning crack tip has a strong plastic contribution. Through the definition of a Cohesive-Zone-Volume-Element—an atomistic analog to a continuum cohesive zone model element—the results from the MD simulation are recast to obtain an average continuum traction-displacement relationship to represent cohesive zone interaction along a characteristic length of the grain boundary interface for the cases of ductile and brittle decohesion.     

Incorporation of twinning into a crystal plasticity finite element model: Evolution of lattice strains and texture in Zircaloy-2

A crystal plasticity finite element code is developed to model lattice strains and texture evolution of HCP crystals. The code is implemented to model elastic and plastic deformation considering slip and twinning based plastic deformation. The model accounts for twinning reorientation and growth. Twinning, as well as slip, is considered to follow a rate dependent formulation. The results of the simulations are compared to previously published in situ neutron diffraction data. Experimental results of the evolution of the texture and lattice strains under uniaxial tension/compression loading along the rolling, transverse, and normal direction of a piece of rolled Zircaloy-2 are compared with model predictions. The rate dependent formulation introduced is capable of correctly capturing the influence of slip and twinning deformation on lattice strains as well as texture evolution.     

Discrete dislocation dynamics modelling of mechanical deformation of nickel-based single crystal superalloys

Discrete dislocation dynamics (DDD) has been used to model the deformation of nickel-based single crystal superalloys with a high volume fraction of precipitates at high temperature. A representative volume cell (RVC), comprising of both the precipitate and the matrix phase, was employed in the simulation where a periodic boundary condition was applied. The dislocation Frank-Read sources were randomly assigned with an initial density on the 12 octahedral slip systems in the matrix channel. Precipitate shearing by superdislocations was modelled using a back force model, and the coherency stress was considered by applying an initial internal stress field. Strain-controlled loading was applied to the RVC in the [0 0 1] direction. In addition to dislocation structure and density evolution, global stress-strain responses were also modelled considering the influence of precipitate shearing, precipitate morphology, internal microstructure scale (channel width and precipitate size) and coherency stress. A three-stage stress-strain response observed in the experiments was modelled when precipitate shearing by superdislocations was considered. The polarised dislocation structure deposited on the precipitate/matrix interface was found to be the dominant strain hardening mechanism. Internal microstructure size, precipitate shape and arrangement can significantly affect the deformation of the single crystal superalloy by changing the constraint effect and dislocation mobility. The coherency stress field has a negligible influence on the stress-strain response, at least for cuboidal precipitates considered in the simulation. Preliminary work was also carried out to simulate the cyclic deformation in a single crystal Ni-based superalloy using the DDD model, although no cyclic hardening or softening was captured due to the lack of precipitate shearing and dislocation cross slip for the applied strain considered.