A thermodynamic formulation of finite-deformation elastoplasticity with hardening based on the concept of material isomorphism

This paper presents a thermodynamic formulation of a model for finite deformation of materials exhibiting elastoplastic material behaviour with non-linear isotropic and kinematic hardening. Central to this formulation is the notion that the form of the elastic constitutive relation be unaffected by the plastic deformation or transformation in the material, as commonly assumed in particular in the context of crystal plasticity. When generalized to the phenomenological context, this implies that the internal variable representing plastic deformation is an elastic material isomorphism. Among other things, this requirement on the plastic deformation leads directly to the standard elastoplastic multiplicative decomposition of the deformation gradient. In addition, a dependence of the plastic part of the free energy on the plastic deformation itself yields a thermodynamic form for the centre of the elastic range of the material, i.e. the back stress. Finally, we show how this approach can be applied to formulate thermodynamic forms for linear, and non-linear Armstrong-Frederick, kinematic hardening models.     

Constitutive relations for isotropic or kinematic hardening at finite elastic–plastic deformations

The rate-type constitutive relations of rate-independent metals with isotropic or kinematic hardening at finite elastic–plastic deformations were presented through a phenomenological approach. This approach includes the decomposition of finite deformation into elastic and plastic parts, which is different from both the elastic–plastic additive decomposition of deformation rate and Lee’s elastic–plastic multiplicative decomposition of deformation gradient. The objectivity of the constitutive relations was dealt with in integrating the constitutive equations. A new objective derivative of back stress was proposed for kinematic hardening. In addition, the loading criteria were discussed. Finally, the stress for simple shear elastic–plastic deformation was worked out.     

Constitutive modeling of temperature and strain rate dependent elastoplastic hardening materials using a corotational rate associated with the plastic deformation

In this paper, a constitutive model with a temperature and strain rate dependent flow stress (Bergstrom hardening rule) and modified Armstrong-Frederick kinematic evolution equation for elastoplastic hardening materials is introduced. Based on the multiplicative decomposition of the deformation gradient,new kinematic relations for the elastic and plastic left stretch tensors as well as the plastic deformation-dependent spin tensor are proposed. Also, a closed-form solution has been obtained for the elastic and plastic left stretch tensors for the simple shear problem.To evaluate model validity, results are compared with known experimental data for SUS 304 stainless steel, which shows a good agreement with the results of the proposed theoretical model.Finally, the stress-deformation curve, as predicted by the model, is plotted for the simple shear problem at room and elevated temperatures using the same material properties for AA5754-O aluminium alloy.     

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.     

含冷却孔镍基合金次级取向效应的应变梯度晶体塑性有限元研究

单晶镍基合金具有优异的耐高温、高强、高韧等性能, 这些力学性能受制造过程引入的次级取向和冷却孔的影响. 已有研究大多关注单孔薄板的变形机理和力学性能, 而工程中应用的往往是多孔薄板, 当前亟需阐明多孔的塑性滑移带变形机理、次级取向效应以及冷却孔引起的应变梯度效应. 文章采用基于位错机制的非局部晶体塑性本构模型对含冷却孔镍基单晶薄板的单拉变形进行了数值模拟. 此模型基于塑性滑移梯度与几何必需位错的关系引入了位错流动项, 因此可有效刻画非均匀变形过程中的应变梯度效应. 为了全面揭示含孔镍基薄板的次级取向效应, 系统研究了[100]和[110]取向(两种次级取向)下镍基薄板的单拉变形行为, 并重点探究了在两种次级取向下冷却孔数量对薄板塑性行为的影响. 此外, 还分析了镍基合金板变形过程中各个滑移系上分切应力变化、主导滑移系开动以及几何必需位错密度的演化过程, 并讨论了塑性滑移量及其分布特征对不同次级取向镍基合金板强度的影响. 研究表明, 单孔和多孔的[110]薄板抗拉强度均低于[100]薄板, 多孔薄板的塑性变形过程比单孔薄板更为复杂且受次级取向影响更大, 并且发生滑移梯度位置主要位于冷却孔附近以及塑性滑移带区域. 研究结果可为工程中镍基合金的设计和服役提供理论指导.      

Mechanism-based strain gradient crystal plasticity—I. Theory

We have been developing the theory of mechanism-based strain gradient plasticity (MSG) to model size-dependent plastic deformation at micron and submicron length scales. The core idea has been to incorporate the concept of geometrically necessary dislocations into the continuum plastic constitutive laws via the Taylor hardening relation. Here we extend this effort to develop a mechanism-based strain gradient theory of crystal plasticity. In this theory, an effective density of geometrically necessary dislocations for a specific slip plane is introduced via a continuum analog of the Peach-Koehler force in dislocation theory and is incorporated into the plastic constitutive laws via the Taylor relation.     

On the Nonlinear Theory of Thermoviscoelastic Materials with Voids

Metric anomalies arising from a distribution of point defects (intrinsic interstitials, vacancies, point stacking faults), thermal deformation, biological growth, etc. are well known sources of material inhomogeneity and internal stress. By emphasizing the geometric nature of such anomalies we seek their representations for materially uniform crystalline elastic solids. In particular, we introduce a quasi-plastic deformation framework where the multiplicative decomposition of the total deformation gradient into an elastic and a plastic deformation is established such that the plastic deformation is further decomposed multiplicatively in terms of a deformation due to dislocations and another due to metric anomalies. We discuss our work in the context of quasi-plastic strain formulation and Weyl geometry. We also derive a general form of metric anomalies which yield a zero stress field in the absence of other inhomogeneities and any external sources of stress.     

A multiscale model for the ductile fracture of crystalline materials

In this paper, a multiscale model that combines both macroscopic and microscopic analyses is presented for describing the ductile fracture process of crystalline materials. In the macroscopic fracture analysis, the recently developed strain gradient plasticity theory is used to describe the fracture toughness, the shielding effects of plastic deformation on the crack growth, and the crack tip field through the use of an elastic core model. The crack tip field resulting from the macroscopic analysis using the strain gradient plasticity theory displayes the 1/2 singularity of stress within the strain gradient dominated region. In the microscopic fracture analysis, the discrete dislocation theory is used to describe the shielding effects of discrete dislocations on the crack growth. The result of the macroscopic analysis near the crack tip, i.e. a new K-field, is taken as the boundary condition for the microscopic fracture analysis. The equilibrium locations of the discrete dislocations around the crack and the shielding effects of the discrete dislocations on the crack growth at the microscale are calculated. The macroscopic fracture analysis and the microscopic fracture analysis are connected based on the elastic core model. Through a comparison of the shielding effects from plastic deformation and the discrete dislocations, the elastic core size is determined.     

Bauschinger and size effects in thin-film plasticity due to defect-energy of geometrical necessary dislocations

The Bauschinger and size effects in the thinfilm plasticity theory arising from the defect-energy of geometrically necessary dislocations (GNDs) are analytically investigated in this paper. Firstly, this defect-energy is deduced based on the elastic interactions of coupling dislocations (or pile-ups) moving on the closed neighboring slip plane. This energy is a quadratic function of the GNDs density, and includes an elastic interaction coefficient and an energetic length scale L. By incorporating it into the work- conjugate strain gradient plasticity theory of Gurtin, an energetic stress associated with this defect energy is obtained, which just plays the role of back stress in the kinematic hardening model. Then this back-stress hardening model is used to investigate the Bauschinger and size effects in the tension problem of single crystal Al films with passivation layers. The tension stress in the film shows a reverse dependence on the film thickness h. By comparing it with discrete-dislocation simulation results, the length scale L is determined, which is just several slip plane spacing, and accords well with our physical interpretation for the defect- energy. The Bauschinger effect after unloading is analyzed by combining this back-stress hardening model with a friction model. The effects of film thickness and pre-strain on the reversed plastic strain after unloading are quantified and qualitatively compared with experiment results.     

Couple stresses in crystalline solids: origins from plastic slip gradients, dislocation core distortions, and three-body interatomic potentials

In the presence of plastic slip gradients, compatibility requires gradients in elastic rotation and stretch tensors. In a crystal lattice the gradient in elastic rotation can be related to bond angle changes at cores of so-called geometrically necessary dislocations. The corresponding continuum strain energy density can be obtained from an interatomic potential that includes two- and three-body terms. The three-body terms induce restoring moments that lead to a couple stress tensor in the continuum limit. The resulting stress and couple stress jointly satisfy a balance law. Boundary conditions are obtained upon stress, couple stress, strain and strain gradient tensors. This higher-order continuum theory was formulated by Toupin (Arch. Ration. Mech. Anal. 11 (1962) 385). Toupin's theory has been extended in this work to incorporate constitutive relations for the stress and couple stress under multiplicative elastoplasticity. The higher-order continuum theory is exploited to solve a boundary value problem of relevance to single crystal and polycrystalline nano-devices. It is demonstrated that certain slip-dominated deformation mechanisms increase the compliance of nanostructures in bending-dominated situations. The significance of these ideas in the context of continuum plasticity models is also dwelt upon.     

Size effects and idealized dislocation microstructure at small scales: Predictions of a Phenomenological model of Mesoscopic Field Dislocation Mechanics: Part I

A Phenomenological Mesoscopic Field Dislocation Mechanics (PMFDM) model is developed, extending continuum plasticity theory for studying initial-boundary value problems of small-scale plasticity. PMFDM results from an elementary space-time averaging of the equations of Field Dislocation Mechanics (FDM), followed by a closure assumption from any strain-gradient plasticity model that attempts to account for effects of geometrically necessary dislocations (GNDs) only in work hardening. The specific lower-order gradient plasticity model chosen to substantiate this work requires one additional material parameter compared to its conventional continuum plasticity counterpart. The further addition of dislocation mechanics requires no additional material parameters. The model (a) retains the constitutive dependence of the free-energy only on elastic strain as in conventional continuum plasticity with no explicit dependence on dislocation density, (b) does not require higher-order stresses, and (c) does not require a constitutive specification of a ‘back-stress’ in the expression for average dislocation velocity/plastic strain rate. However, long-range stress effects of average dislocation distributions are predicted by the model in a mechanistically rigorous sense. Plausible boundary conditions (with obvious implication for corresponding interface conditions) are discussed in some detail from a physical point of view. Energetic and dissipative aspects of the model are also discussed. The developed framework is a continuous-time model of averaged dislocation plasticity, without having to rely on the notion of incremental work functions, their convexity properties, or their minimization. The tangent modulus relating stress rate and total strain rate in the model is the positive-definite tensor of linear elasticity, and this is not an impediment to the development of idealized microstructure in the theory and computations, even when such a convexity property is preserved in a computational scheme. A model of finite deformation, mesoscopic single crystal plasticity is also presented, motivated by the above considerations.Lower-order gradient plasticity appears as a constitutive limit of PMFDM, and the development suggests a plausible boundary condition on the plastic strain rate for this limit that is appropriate for the modeling of constrained plastic flow in three-dimensional situations.     

Suppressed plastic deformation at blunt crack-tips due to strain gradient effects

Large deformation gradients occur near a crack-tip and strain gradient dependent crack-tip deformation and stress fields are expected. Nevertheless, for material length scales much smaller than the scale of the deformation gradients, a conventional elastic–plastic solution is obtained. On the other hand, for significant large material length scales, a conventional elastic solution is obtained. This transition in behaviour is investigated based on a finite strain version of the Fleck–Hutchinson strain gradient plasticity model from 2001. The predictions show that for a wide range of material parameters, the transition from the conventional elastic–plastic to the elastic solution occurs for length scales ranging from 0.001 times the size of the plastic zone to a length scale of the same order of magnitude as the plastic zone.     

Non-local crystal plasticity model with intrinsic SSD and GND effects

A strain gradient-dependent crystal plasticity approach is presented to model the constitutive behaviour of polycrystal FCC metals under large plastic deformation. In order to be capable of predicting scale dependence, the heterogeneous deformation-induced evolution and distribution of geometrically necessary dislocations (GNDs) are incorporated into the phenomenological continuum theory of crystal plasticity. Consequently, the resulting boundary value problem accommodates, in addition to the ordinary stress equilibrium condition, a condition which sets the additional nodal degrees of freedom, the edge and screw GND densities, proportional (in a weak sense) to the gradients of crystalline slip. Next to this direct coupling between microstructural dislocation evolutions and macroscopic gradients of plastic slip, another characteristic of the presented crystal plasticity model is the incorporation of the GND-effect, which leads to an essentially different constitutive behaviour than the statistically stored dislocation (SSD) densities. The GNDs, by their geometrical nature of locally similar signs, are expected to influence the plastic flow through a non-local back-stress measure, counteracting the resolved shear stress on the slip systems in the undeformed situation and providing a kinematic hardening contribution. Furthermore, the interactions between both SSD and GND densities are subject to the formation of slip system obstacle densities and accompanying hardening, accountable for slip resistance. As an example problem and without loss of generality, the model is applied to predict the formation of boundary layers and the accompanying size effect of a constrained strip under simple shear deformation, for symmetric double-slip conditions.     

Randomness and slip avalanches in gradient plasticity

While localization of deformation at macroscopic scales has been documented and carefully characterized long ago, it is only recently that systematic experimental investigations have demonstrated that plastic flow of crystalline solids on mesoscopic scales proceeds in a strongly heterogenous and intermittent manner. In fact, deformation is characterized by intermittent bursts (‘slip avalanches’) the sizes of which obey power-law statistics. In the spatial domain, these avalanches produce characteristic deformation patterns in the form of slip lines and slip bands. Unlike to the case of macroscopic localization where gradient plasticity can capture the width and spacing of shear bands in the softening regime of the stress–strain graph, this type of mesoscopically jerky like localized plastic flow is observed in spite of a globally convex stress–strain relationship and may not be captured by standard deterministic continuum modelling. We thus propose a generalized constitutive model which includes both second-order strain gradients and randomness in the local stress–strain relationship. These features are related to the internal stresses which govern dislocation motion on microscopic scales. It is shown that the model can successfully describe experimental observations on slip avalanches as well as the associated surface morphology characteristics.     

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.     

Gradient plasticity modeling of geomaterials in a meshfree environment. Part I: Theory and variational formulation

Deformation and strength behavior of geomaterials in the pre- and post-failure regimes are of significant interest in various geomechanics applications. To address the need for development of a realistic constitutive framework, which allows for an accurate simulation of pre-failure response as well as an objective and meaningful post-failure response, a strain gradient plasticity model is formulated by incorporating the spatial gradients of elastic strain in the evolution of stress and gradients of plastic strain in the evolution of the internal variables. In turn, gradients of only kinematic variables are included in the constitutive equations. The resulting constitutive equations along with the balance of linear momentum for the continuum are cast as a coupled system of equations, with displacements and plastic multiplier appearing as the primary unknowns in the final governing integral equations. To avoid singular stress fields along element boundaries, a finite element discretization of the governing equations would require C² continuous displacements and C¹ continuous plastic multiplier, which is undesirable from a numerical implementation point of view. This issue is naturally resolved when a meshfree discretization is used. Hence the developed model is formulated within the framework of a meshfree environment. The new constitutive model allows an analysis of grain size effects on strength and dilatancy of rocks. The role and effectiveness of the new gradient terms on regularizing the underlying boundary value problems of geomechanics beyond the initiation of strain localization will be assessed in a future paper.     

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).