Strain gradient effects on microscopic strain field in a metal matrix composite

The purpose of this paper is to demonstrate the improved modeling accuracy of a finite-deformation strain gradient crystal plasticity formulation over its classical counterpart by conducting a joint experimental and numerical investigation of the microscopic details of the deformation of a whisker-reinforced metal-matrix composite. The lattice rotation distribution around whiskers is obtained in thin foils using a TEM technique and is then correlated with numerical predictions based on finite element analyses of a unit-cell of a single crystal matrix containing a rigid whisker. The matrix material is first characterized by a classical, scale-independent crystal plasticity theory. It is found that the classical theory predicts a lattice rotation distribution with a spatial gradient much higher than experimentally measured. A strain gradient crystal plasticity formulation is then applied to model the matrix. The strain gradient formulation accounts for both strain hardening and strain gradient hardening. The deformation thus predicted exhibits a strong dependence on the size of the whisker. For a constitutive length scale comparable to the whisker diameter, the spatial gradient of the lattice rotation is several times lower than that predicted by the classical theory, and hence correlates significantly better with the experimental results.     

Size effects on void growth in single crystals with distributed voids

The effect of void size on void growth in single crystals with uniformly distributed cylindrical voids is studied numerically using a finite deformation strain gradient crystal plasticity theory with an intrinsic length parameter. A plane strain cell model is analyzed for a single crystal with three in-plane slip systems. It is observed that small voids allow much larger overall stress levels than larger voids for all the stress triaxialities considered. The amount of void growth is found to be suppressed for smaller voids at low stress triaxialities. Significant differences are observed in the distribution of slips and on the shape of the deformed voids for different void sizes. Furthermore, the orientation of the crystalline lattice is found to have a pronounced effect on the results, especially for the smaller void sizes.     

Plasticity size effects in voided crystals

The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation, the dislocations are all of edge character and are modelled as line singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation and strain gradient plasticity formulations predict a negligible size effect under shear loading. By contrast, under equi-biaxial loading both plasticity formulations predict a strong size dependence with the flow strength approximately scaling inversely with the void spacing. Excellent agreement is obtained between predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model is chosen to be (about 10 times the slip plane spacing in the discrete dislocation models).     

Strain gradient crystal plasticity effects on flow localization

In metal grains one of the most important failure mechanisms involves shear band localization. As the band width is small, the deformations are affected by material length scales. To study localization in single grains a rate-dependent crystal plasticity formulation for finite strains is presented for metals described by the reformulated Fleck–Hutchinson strain gradient plasticity theory. The theory is implemented numerically within a finite element framework using slip rate increments and displacement increments as state variables. The formulation reduces to the classical crystal plasticity theory in the absence of strain gradients. The model is used to study the effect of an internal material length scale on the localization of plastic flow in shear bands in a single crystal under plane strain tension. It is shown that the mesh sensitivity is removed when using the nonlocal material model considered. Furthermore, it is illustrated how different hardening functions affect the formation of shear bands.     

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.     

Plastic deformation modelling of tempered martensite steel block structure by a nonlocal crystal plasticity model

The plastic deformations of tempered martensite steel representative volume elements with different martensite block structures have been investigated by using a nonlocal crystal plasticity model which considers isotropic and kinematic hardening produced by plastic strain gradients. It was found that pronounced strain gradients occur in the grain boundary region even under homogeneous loading. The isotropic hardening of strain gradients strongly influences the global stress–strain diagram while the kinematic hardening of strain gradients influences the local deformation behaviour. It is found that the additional strain gradient hardening is not only dependent on the block width but also on the misorientations or the deformation incompatibilities in adjacent blocks.     

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.     

Wedge indentation of thin films modelled by strain gradient plasticity

A plane strain study of wedge indentation of a thin film on a substrate is performed. The film is modelled with the strain gradient plasticity theory by Gudmundson [Gudmundson, P., 2004. A unified treatment of strain gradient plasticity. Journal of the Mechanics and Physics of Solids 52, 1379–1406] and analysed using finite element simulations. Several trends that have been experimentally observed elsewhere are captured in the predictions of the mechanical behaviour of the thin film. Such trends include increased hardness at shallow depths due to gradient effects as well as increased hardness at larger depths due to the influence of the substrate. In between, a plateau is found which is observed to scale linearly with the material length scale parameter. It is shown that the degree of hardening of the material has a strong influence on the substrate effect, where a high hardening modulus gives a larger impact on this effect. Furthermore, pile-up deformation dominated by plasticity at small values of the internal length scale parameter is turned into sink-in deformation where plasticity is suppressed for larger values of the length scale parameter. Finally, it is demonstrated that the effect of substrate compliance has a significant effect on the hardness predictions if the effective stiffness of the substrate is of the same order as the stiffness of the film.     

Void growth and coalescence in single crystals

Void growth and coalescence in single crystals are investigated using crystal plasticity based 3D finite element calculations. A unit cell involving a single spherical void and fully periodic boundary conditions is deformed under constant macroscopic stress triaxiality. Simulations are performed for different values of the stress triaxiality, for different crystal orientations, and for low and high work-hardening capacity. Under low stress triaxiality, the void shape evolution, void growth, and strain at the onset of coalescence are strongly dependent on the crystal orientation, while under high stress triaxiality, only the void growth rate is affected by the crystal orientation. These effects lead to significant variations in the ductility defined as the strain at the onset of coalescence. An attempt is made to predict the onset of coalescence using two different versions of the Thomason void coalescence criterion, initially developed in the framework of isotropic perfect plasticity. The first version is based on a mean effective yield stress of the matrix and involves a fitting parameter to properly take into account material strain hardening. The second version of the Thomason criterion is based on a local value of the effective yield stress in the ligament between the voids, with no fitting parameter. The first version is accurate to within 20% relative error for most cases, and often more accurate. The second version provides the same level of accuracy except for one crystal orientation. Such a predictive coalescence criterion constitutes an important ingredient towards the development of a full constitutive model for porous single crystals.     

The Peierls stress in non-local elasticity

The effect of non-locality on the Peierls stress of a dislocation, predicted within the framework of the Peierls-Nabarro model, is investigated. Both the integral formulation of non-local elasticity and the gradient elasticity model are considered. A modification of the non-local kernel of the integral formulation is proposed and its effect on the dislocation core shape and size, and on the Peierls stress are discussed. The new kernel is longer ranged and physically meaningful, improving therefore upon the existing Gaussian-like non-locality kernels. As in the original Peierls-Nabarro model, lattice trapping cannot be captured in the purely continuum non-local formulation and therefore, a semi-discrete framework is used. The constitutive law of the elastic continuum and that of the glide plane are considered both local and non-local in separate models. The major effect is obtained upon rendering non-local the constitutive law of the continuum, while non-locality in the rebound force law of the glide plane has a marginal effect. The Peierls stress is seen to increase with increasing the intrinsic length scale of the non-local formulation, while the core size decreases accordingly. The solution becomes unstable at intrinsic length scales larger than a critical value. Modifications of the rebound force law entail significant changes in the core configuration and critical stress. The discussion provides insight into the issue of internal length scale selection in non-local elasticity models.     

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.     

Crystal plasticity model with enhanced hardening by geometrically necessary dislocation accumulation

A strain gradient dependent crystal plasticity approach is used to model the constitutive behaviour of polycrystal FCC metals under large plastic deformation. Material points are considered as aggregates of grains, subdivided into several fictitious grain fractions: a single crystal volume element stands for the grain interior whereas grain boundaries are represented by bi-crystal volume elements, each having the crystallographic lattice orientations of its adjacent crystals. A relaxed Taylor-like interaction law is used for the transition from the local to the global scale. It is relaxed with respect to the bi-crystals, providing compatibility and stress equilibrium at their internal interface. During loading, the bi-crystal boundaries deform dissimilar to the associated grain interior. Arising from this heterogeneity, a geometrically necessary dislocation (GND) density can be computed, which is required to restore compatibility of the crystallographic lattice. This effect provides a physically based method to account for the additional hardening as introduced by the GNDs, the magnitude of which is related to the grain size. Hence, a scale-dependent response is obtained, for which the numerical simulations predict a mechanical behaviour corresponding to the Hall-Petch effect. Compared to a full-scale finite element model reported in the literature, the present polycrystalline crystal plasticity model is of equal quality yet much more efficient from a computational point of view for simulating uniaxial tension experiments with various grain sizes.     

Mechanism-based strain gradient plasticity in C0 axisymmetric element

Non-uniform plastic deformation of materials exhibits a strong size dependence when the material and deformation length scales are of the same order at micro- and nano-metre levels. Recent progresses in testing equipment and computational facilities enhancing further the study on material characterization at these levels confirmed the size effect phenomenon. It has been shown that at this length scale, the material constitutive condition involves not only the state of strain but also the strain gradient plasticity. In this study, C⁰ axisymmetric element incorporating the mechanism-based strain gradient plasticity is developed. Classical continuum plasticity approach taking into consideration Taylor dislocation model is adopted. As the length scale and strain gradient affect only the constitutive relation, it is unnecessary to introduce either additional model variables or higher order stress components. This results in the ease and convenience in the implementation. Additional computational efforts and resources required of the proposed approach as compared with conventional finite element analyses are minimal. Numerical results on indentation tests at micron and submicron levels confirm the necessity of including the mechanism-based strain gradient plasticity with appropriate inherent material length scale. It is also interesting to note that the material is hardened under Berkovich compared to conical indenters when plastic strain gradient is considered but softened otherwise.     

Scale-dependent constitutive relations and the role of scale on nominal properties

Size effects in strength and fracture energy of heterogeneous materials is considered within a context of scale-dependent constitutive relations. Using tools of wavelet analysis, and considering the failure state of a one-dimensional solid, constitutive relations which include scale as a parameter are derived from a ‘background’ gradient formulation. In the resulting theory, scale is not a fixed quantity independent of deformation, but rather directly dependent on the global deformation field. It is shown that strength or peak nominal stress (maximum point at the engineering stress–strain diagram) decreases with specimen size while toughness or total work to fracture per nominal area (area under the curve in the engineering stress–strain diagram integrated along the length of the considered one-dimensional specimen) increases. This behavior is in agreement with relevant experimental findings on heterogeneous materials where the overall mechanical response is determined by variations in local material properties. The scale-dependent constitutive relations are calibrated from experimental data on concrete specimens.     

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).     

Creep,plasticity, and fatigue of single crystal superalloy

Single crystal components in gas turbine engines are subject to such extreme temperatures and stresses that life prediction becomes highly inaccurate resulting in components that can only be shown to meet their requirements through experience. Reliable life prediction methodologies are required both for design and life management. In order to address this issue we have developed a thermo-viscoplastic constitutive model for single crystal materials. Our incremental large strain formulation additively decomposes the inelastic strain rate into components along the octahedral and cubic slip planes. We have developed a crystallographic-based creep constitutive model able to predict sigmoidal creep behavior of Ni base superalloys. Inelastic shear rate along each slip system is expressed as a sum of a time dependent creep component and a rate independent plastic component. We develop a new robust, computationally efficient rate-independent crystal plasticity approach and combined it with creep flow rule calibrated for Ni-based superalloys. The transient variation of each of the inelastic components includes a back stress for kinematic hardening and latent hardening parameters to account for the stress evolution with inelastic strain as well as the evolution for dislocation densities. The complete formulation accurately predicts both monotonic and cyclic tests at different crystallographic orientations for constant and variable temperature conditions (low cycle fatigue (LCF) and thermo-mechanical fatigue (TMF) tests). Based on the test and modeling results we formulate a new life prediction criterion suitable for both LCF and TMF conditions.     

On free energy-based formulations for kinematic hardening and the decomposition F = fpfe

Within the framework of linear plasticity, based on additive decomposition of the linear strain tensor, kinematical hardening can be described by means of extended potentials. The method is elegant and avoids the need for evolution equations. The extension of small strain formulations to the finite strain case, which is based on the multiplicative decomposition of the deformation gradient into elastic and inelastic parts, proved not straight forward. Specifically, the symmetry of the resulting back stress remained elusive. In this paper, a free energy-based formulation incorporating the effect of kinematic hardening is proposed. The formulation is able to reproduce symmetric expressions for the back stress while incorporating the multiplicative decomposition of the deformation gradient. Kinematic hardening is combined with isotropic hardening where an associative flow rule and von Mises yield criterion are applied. It is shown that the symmetry of the back stress is strongly related to its treatment as a truly spatial tensor, where contraction operations are to be conducted using the current metric. The latter depends naturally on the deformation gradient itself. Various numerical examples are presented.     

Discontinuous bifurcation analysis in fracture energy-based gradient plasticity for concrete

Conditions for discontinuous bifurcation in limit states of selective non-local thermodynamically consistent gradient theory for quasi-brittle materials like concrete are evaluated by means of both geometrical and analytical procedures. This constitutive formulation includes two internal lengths, one related to the strain gradient field that considers the degradation of the continuum in the vicinity of the considered material point. The other characteristic length takes into account the material degradation in the form of energy release in the cracks during failure process evolution.The variation from ductile to brittle failure in quasi-brittle materials is accomplished by means of the pressure dependent formulation of both characteristic lengths as described by Vrech and Etse (2009).In this paper the formulation of the localization ellipse for constitutive theories based on gradient plasticity and fracture energy plasticity is proposed as well as the explicit solutions for brittle failure conditions in the form of discontinuous bifurcation. The geometrical, analytical and numerical analysis of discontinuous bifurcation condition in this paper are comparatively evaluated in different stress states and loading conditions.The included results illustrate the capabilities of the thermodynamically consistent selective non-local gradient constitutive theory to reproduce the transition from ductile to brittle and localized failure modes in the low confinement regime of concrete and quasi-brittle materials.     

A thermodynamic based higher-order gradient theory for size dependent plasticity

A physically motivated and thermodynamically consistent formulation of small strain higher-order gradient plasticity theory is presented. Based on dislocation mechanics interpretations, gradients of variables associated with kinematic and isotropic hardenings are introduced. This framework is a two non-local parameter framework that takes into consideration large variations in the plastic strain tensor and large variations in the plasticity history variable; the equivalent (effective) plastic strain. The presence of plastic strain gradients is motivated by the evolution of dislocation density tensor that results from non-vanishing net Burgers vector and, hence, incorporating additional kinematic hardening (anisotropy) effects through lattice incompatibility. The presence of gradients in the effective (scalar) plastic strain is motivated by the accumulation of geometrically necessary dislocations and, hence, incorporating additional isotropic hardening effects (i.e. strengthening). It is demonstrated that the non-local yield condition, flow rule, and non-zero microscopic boundary conditions can be derived directly from the principle of virtual power. It is also shown that the local Clausius–Duhem inequality does not hold for gradient-dependent material and, therefore, a non-local form should be adopted. The non-local Clausius–Duhem inequality has an additional term that results from microstructural long-range energy interchanges between the material points within the body. A detailed discussion on the physics and the application of proper microscopic boundary conditions, either on free surfaces, clamped surfaces, or intermediate constrained surfaces, is presented. It is shown that there is a close connection between interface/surface energy of an interface or free surface and the microscopic boundary conditions in terms of microtraction stresses. Some generalities and utility of this theory are discussed and comparisons with other gradient theories are given. Applications of the proposed theory for size effects in thin films are presented.     

Non-convex rate dependent strain gradient crystal plasticity and deformation patterning

A rate dependent strain gradient crystal plasticity framework is presented where the displacement and the plastic slip fields are considered as primary variables. These coupled fields are determined on a global level by solving simultaneously the linear momentum balance and the slip evolution equation, which is derived in a thermodynamically consistent manner. The formulation is based on the 1D theory presented in Yalcinkaya et al. (2011), where the patterning of plastic slip is obtained in a system with non-convex energetic hardening through a phenomenological double-well plastic potential. In the current multi-dimensional multi-slip analysis the non-convexity enters the framework through a latent hardening potential presented in Ortiz and Repettto (1999) where the microstructure evolution is obtained explicitly via a lamination procedure. The current study aims the implicit evolution of deformation patterns due to the incorporated physically based non-convex potential.