Higher-order stress and grain size effects due to self-energy of geometrically necessary dislocations

The higher-order stress work-conjugate to slip gradient in single crystals at small strains is derived based on the self-energy of geometrically necessary dislocations (GNDs). It is shown that this higher-order stress changes stepwise as a function of in-plane slip gradient and therefore significantly influences the onset of initial yielding in polycrystals. The higher-order stress based on the self-energy of GNDs is then incorporated into the strain gradient plasticity theory of Gurtin [2002. A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations. J. Mech. Phys. Solids 50, 5-32] and applied to single-slip-oriented 2D and 3D model crystal grains of size D. It is thus found that the self-energy of GNDs gives a D^-1-dependent term for the averaged resolved shear stress in such a model grain under yielding. Using published experimental data for several polycrystalline metals, it is demonstrated that the D^-1-dependent term successfully explains the grain size dependence of initial yield stress and the dislocation cell size dependence of flow stress in the submicron to several-micron range of grain and cell sizes.     

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.     

Crystal plasticity analysis of dislocation emission from micro voids

Slip deformation in the vicinity of a micro void in metal crystals is analyzed by a crystal plasticity technique, and the geometrically necessary dislocations, which accompany the gradient of plastic shear strain on slip systems, are evaluated. Aggregates of dislocation segments on pairs of slip systems that have the same slip directions but different slip planes exhibit a rhombus-shaped structure, and the structure is shown to be equivalent to prismatic dislocation loops of the interstitial type. Material transport and growth of voids are discussed in terms of GN dislocations.     

Distribution based model for the grain boundaries in polycrystalline plasticity

This contribution focuses on the development of constitutive models for the grain boundary region between two crystals, relying on the dislocation based polycrystalline model documented in (Evers, L.P., Parks, D.M., Brekelmans, W.A.M., Geers, M.G.D., 2002. Crystal plasticity model with enhanced hardening by geometrically necessary dislocation accumulation. J. Mech. Phys. Solids 50, 2403–2424; Evers, L.P., Brekelmans, W.A.M., Geers, M.G.D., 2004a. Non-local crystal plasticity model with intrinsic SSD and GND effects. J. Mech. Phys. Solids 52, 2379–2401; Evers, L.P., Brekelmans, W.A.M., Geers, M.G.D., 2004b. Scale dependent crystal plasticity framework with dislocation density and grain boundary effects. Int. J. Solids Struct. 41, 5209–5230). The grain boundary is first viewed as a geometrical surface endowed with its own fields, which are treated here as distributions from a mathematical point of view. Regular and singular dislocation tensors are introduced, defining the grain equilibrium, both in the grain core and at the boundary of both grains. Balance equations for the grain core and grain boundary are derived, that involve the dislocation density distribution tensor, in both its regular and singular contributions. The driving force for the motion of the geometrically necessary dislocations is identified from the pull-back to the lattice configuration of the quasi-static balance of momentum, that reveals the duality between the stress and the curl of the elastic gradient. Criteria that govern the flow of mobile geometrically necessary dislocations (GNDs) through the grain boundary are next elaborated on these bases. Specifically, the sign of the projection of a lattice microtraction on the glide velocity defines a necessary condition for the transmission of incoming GNDs, thereby rendering the set of active slip systems for the glide of outgoing dislocations. Viewing the grain boundary as adjacent bands in each grain with a constant GND density in each, the driving force for the grain boundary slip is further expressed in terms of the GND densities and the differently oriented slip systems in each grain. A semi-analytical solution is developed in the case of symmetrical slip in a bicrystal under plane strain conditions. It is shown that the transmission of plastic slip occurs when the angle made by the slip direction relative to the grain boundary normal is less than a critical value, depending on the ratio of the GND densities and the orientation of the transmitted dislocations.     

Geometrically necessary dislocations in viscoplastic single crystals and bicrystals undergoing small deformations

In this study we develop a gradient theory of small-deformation single-crystal plasticity that accounts for geometrically necessary dislocations (GNDs). The resulting framework is used to discuss grain boundaries. The grains are allowed to slip along the interface, but growth phenomenona and phase transitions are neglected. The bulk theory is based on the introduction of a microforce balance for each slip system and includes a defect energy depending on a suitable measure of GNDs. The microforce balances are shown to be equivalent to nonlocal yield conditions for the individual slip systems, yield conditions that feature backstresses resulting from energy stored in dislocations. When applied to a grain boundary the theory leads to concomitant yield conditions: relative slip of the grains is activated when the shear stress reaches a suitable threshold; plastic slip in bulk at the grain boundary is activated only when the local density of GNDs reaches an assigned threshold. Consequently, in the initial stages of plastic deformation the grain boundary acts as a barrier to plastic slip, while in later stages the interface acts as a source or sink for dislocations. We obtain an exact solution for a simple problem in plane strain involving a semi-infinite compressed specimen that abuts a rigid material. We view this problem as an approximation to a situation involving a grain boundary between a grain with slip systems aligned for easy flow and a grain whose slip system alignment severely inhibits flow. The solution exhibits large slip gradients within a thin layer at the grain boundary.     

Simulation of micro-indentation hardness of FCC single crystals by mechanism-based strain gradient crystal plasticity

The size effect observed in the micro-indentation of FCC single crystal copper is modelled by the employment of mechanism-based strain gradient crystal plasticity (MSG-CP). The total slip resistance in each active system is assumed to be due to a mixed population of forest obstacles arising from both statistically stored and geometrically necessary dislocations. The MSG-CP constitutive model is implemented into the Abaqus/Standard FE platform by developing the User MATerial subroutine UMAT. The simulation of micro-indentation hardness on (0 0 1) and (1 1 1) single crystal copper, with a conical indenter having a sharp tip, a conical indenter with a spherical tip and a three-sided Berkovich indenter, is undertaken. The phenomena of pile-up and sink-in have been observed in the simulation and dealt with by appropriate use of the contact analysis function in Abaqus. These phenomena have been taken into account in the determination of the contact areas and hence the average indentation depth for anisotropic single crystals. The depth dependence of the micro-indentation hardness, the size effect, is calculated. The micro-hardness results from the simulation are compared with those of the published experimental ones in the literature and a good agreement is found.     

Lengthscale-dependent,elastically anisotropic,physically-based hcp crystal plasticity: Application to cold-dwell fatigue in Ti alloys

A crystal plasticity model for hcp materials is presented which is based on dislocation glide and pinning. Slip is assumed to occur on basal and prismatic systems, and dislocation pinning through the generation of geometrically necessary dislocations (GNDs). Elastic anisotropy and, through the coupling of GNDs with slip rate, physically-based lengthscale effects are included.     

On large-strain finite element solutions of higher-order gradient crystal plasticity

A finite-strain higher-order gradient crystal plasticity model accounting for the backstress effect originating from the existence of geometrically necessary dislocations (GNDs) is applied to plane strain finite element analysis. Different element types are tested to seek out an element formulation that is reliable and useful for solving problems involving severe plastic deformation. In the present finite element formulation, the GND density rates are chosen to be additional nodal degrees of freedom. Different orders of shape functions are employed for the interpolation of displacement rates and GND density rates. Their effects on solutions are examined in detail by considering three boundary value problems: a simple shear of a constrained layer (a film), a compression problem with loading surfaces impenetrable to dislocations, and a tension problem involving shear band formation. In all the cases, the formulation in which eight-node elements with reduced integration and four-node elements with full integration are used respectively for displacement rates and the GND density rates gives reasonable solutions. In addition to the discussion on the choice of finite elements, detailed behavior in gradient-dependent solids, such as the accumulation of GND density and the distribution of backstress on each slip system, is investigated by utilizing the reliable computational results obtained.     

High strain gradient plasticity associated with wedge indentation into face-centered cubic single crystals: Geometrically necessary dislocation densities

Experimental studies on indentation into face-centered cubic (FCC) single crystals such as copper and aluminum were performed to reveal the spatially resolved variation in crystal lattice rotation induced due to wedge indentation. The crystal lattice curvature tensors of the indented crystals were calculated from the in-plane lattice rotation results as measured by electron backscatter diffraction (EBSD). Nye's dislocation density tensors for plane strain deformation of both crystals were determined from the lattice curvature tensors. The least L²-norm solutions to the geometrically necessary dislocation densities for the case in which three effective in-plane slip systems were activated in the single crystals associated with the indentation were determined. Results show the formation of lattice rotation discontinuities along with a very high density of geometrically necessary dislocations.     

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 large-deformation- and continuum-based formulation of models for extended crystal plasticity

The purpose of this work is the application of continuum thermodynamics to the extension of standard crystal plasticity to account for the effects of the development of geometrically necessary dislocations (GNDs) on the material behavior. To this end, following Nye, Kondo, and many others, local deformation incompatibility in the material is adopted as a measure of the density of GNDs. Their development results in additional energy being stored in the material, resulting in additional kinematic-like hardening effects. The current approach generalized previous ones in that the thermodynamic formulation is based on the notion of generalized energy flux. A detailed comparison of the current approach and its results with previous such approaches and their results is given.     

A variational procedure utilizing the assumption of maximum dissipation rate for gradient-dependent elastic-plastic materials

In this brief note we consider an elastic-plastic material whose strain energy depends not only on the plastic strain but also on spatial gradient. The governing equations of motion are obtained by maximizing the rate of global energy dissipation. The resulting differential equations are specialized for the case where the strain energy depends only upon the density of geometrically necessary dislocations.     

Strain hardening in bent copper foils

A series of systematic tensile and microbend tests were conducted on copper foil specimens with different thicknesses. The specimens were made of a copper foil having almost unidirectional crystal orientations that was considered to be nearly single-crystal. In order to investigate the effects of slip system interactions, two different crystal orientations relative to the tensile direction were considered in the tests: one is close to coplanar double-slip orientation, and the other is close to the ideal cube orientation (the tensile direction nearly coincides to [0 0 1]) that yields multi-planar multi-slip deformation. We extended the microbend test method to include the reversal of bending, and we attempted to divide the total amount of strain-hardening into isotropic and kinematic hardening components. In the tensile tests, no systematic tendency of size dependence was observed. In the microbend tests, size-dependent kinematic hardening behavior was observed for both the crystal orientations, while size dependence of isotropic hardening was observed only for the multi-planar multi-slip case. We introduce an extended crystal plasticity model that accounts for the effects of the geometrically necessary dislocations (GNDs), which correspond to the spatial gradients of crystallographic slips. Through numerical simulations performed using the model, the origin of the size-dependent behavior observed in the microbend tests is discussed.     

Cylindrical nano-indentation on metal film/elastic substrate system with discrete dislocation plasticity analysis: A simple model for nano-indentation size effect

The cylindrical nano-indentation on metal film/elastic substrate is computationally studied using two-dimensional discrete dislocation plasticity combined with the commercial software ANSYS®, with a focus on the storage volume for geometrically necessary dislocations (GNDs) inside the films and the nano-indentation size effect (NISE). Our calculations show that almost all GNDs are stored in a rectangular area determined by the film thickness and the actual contact width. The variations of indentation contact width with indentation depth for various film thicknesses and indenter radii are fitted by an exponential relation, and then the GND density underneath the indenter is estimated. Based on the Taylor dislocation model and Tabor formula, a simple model for the dependence of the nano-indentation hardness of the film/substrate system on the indentation depth, the indenter radius and the film thickness is established, showing a good agreement with the present numerical results.     

Analytical and experimental determination of the material intrinsic length scale of strain gradient plasticity theory from micro- and nano-indentation experiments

The enhanced gradient plasticity theories formulate a constitutive framework on the continuum level that is used to bridge the gap between the micromechanical plasticity and the classical continuum plasticity. They are successful in explaining the size effects encountered in many micro- and nano-advanced technologies due to the incorporation of an intrinsic material length parameter into the constitutive modeling. However, the full utility of the gradient-type theories hinges on one's ability to determine the intrinsic material length that scales with strain gradients, and this study aims at addressing and remedying this situation. Based on the Taylor's hardening law, a micromechanical model that assesses a nonlinear coupling between the statistically stored dislocations (SSDs) and geometrically necessary dislocations (GNDs) is used here in order to derive an analytical form for the deformation-gradient-related intrinsic length-scale parameter in terms of measurable microstructural physical parameters. This work also presents a method for identifying the length-scale parameter from micro- and nano-indentation experiments using both spherical and pyramidal indenters. The deviation of the Nix and Gao [Mech. Phys. Solids 46 (1998) 411] and Swadener et al. [J. Mech. Phys. Solids 50 (2002) 681; Scr. Mater. 47 (2002) 343] indentation size effect (ISE) models’ predictions from hardness results at small depths for the case of conical indenters and at small diameters for the case of spherical indenters, respectively, is largely corrected by incorporating an interaction coefficient that compensates for the proper coupling between the SSDs and GNDs during indentation. Experimental results are also presented which show that the ISE for pyramidal and spherical indenters can be correlated successfully by using the proposed model.     

Dual-phase steel sheets under cyclic tension–compression to large strains: Experiments and crystal plasticity modeling

In this work, we develop a physically-based crystal plasticity model for the prediction of cyclic tension–compression deformation of multi-phase materials, specifically dual-phase (DP) steels. The model is elasto–plastic in nature and integrates a hardening law based on statistically stored dislocation density, localized hardening due to geometrically necessary dislocations (GNDs), slip-system-level kinematic backstresses, and annihilation of dislocations. The model further features a two level homogenization scheme where the first level is the overall response of a two-phase polycrystalline aggregate and the second level is the homogenized response of the martensite polycrystalline regions. The model is applied to simulate a cyclic tension–compression–tension deformation behavior of DP590 steel sheets. From experiments, we observe that the material exhibits a typical decreasing hardening rate during forward loading, followed by a linear and then a non-linear unloading upon the load reversal, the Bauschinger effect, and changes in hardening rate during strain reversals. To predict these effects, we identify the model parameters using a portion of the measured data and validate and verify them using the remaining data. The developed model is capable of predicting all the particular features of the cyclic deformation of DP590 steel, with great accuracy. From the predictions, we infer and discuss the effects of GNDs, the backstresses, dislocation annihilation, and the two-level homogenization scheme on capturing the cyclic deformation behavior of the material.     

Modeling finite deformations in trigonal ceramic crystals with lattice defects

A model is developed for thermomechanical behavior of defective, low-symmetry ceramic crystals such as α$\alpha$-corundum. Kinematics resolved are nonlinear elastic deformation, thermal expansion, dislocation glide, mechanical twinning, and residual lattice strains associated with eigenstress fields of defects such as dislocations and stacking faults. Multiscale concepts are applied to describe effects of twinning on effective thermoelastic properties. Glide and twinning are thermodynamically irreversible, while free energy accumulates with geometrically necessary dislocations associated with strain and rotation gradients, statistically stored dislocations, and twin boundaries. The model is applied to describe single crystals of corundum. Hardening behaviors of glide and twin systems from the total density of dislocations accumulated during basal slip are quantified for pure and doped corundum crystals. Residual lattice expansion is predicted from nonlinear elasticity and dislocation line and stacking fault energies.     

Determination and interpretation of statistics of spatially resolved waveforms in spalled tantalum from 7 to 13 GPa

A suite of impact experiments was conducted to assess spatial variability in the dynamic properties of tantalum, on length scales of tens of microns to a few millimeters. Two different sample types were used: tantalum processed to yield a uniform refined grain structure (grain size ∼20 μm) with a strong axisymmetric {1 1 1} crystallographic texture, and tantalum processed to yield an equiaxial structure with grain size ∼42 μm. Impact experiments were conducted loading the samples to stress levels from 6 to 12 GPa, which are well above the Hugoniot Elastic Limit (HEL), then pulling the sample into sufficient tension to produce spall. These stress levels were specifically chosen to investigate the spall behavior of tantalum at levels ranging from the incipient spall stage to significantly above the spall strength, focusing on microstructural phenomena. A recently developed spatially resolved velocity interferometer known as the line-imaging VISAR allowed the point-to-point variability of the spall strength to be determined. Specifically, we have been able to determine in real time the nucleation and growth of void defect structures that lead to the eventual spallation or delaminating of the plate. Experiments indicate that the nucleation and growth process is time-dependent and heterogeneous since a time-dependent distribution of defects is measured. This strongly suggests that the spall strength of the material is not a single-valued function. When fitted to Weibull failure statistics, the results indicate a similar mean value and variability for the spall strength of both types of tantalum. The spatial dependence of the material distension of the spalled tantalum is also deduced, in the approximation of uniaxial strain.     

Thermodynamics-based gradient plasticity theories with an application to interface models

In the framework of small deformations, the so-called residual-based gradient plasticity theory is reconsidered and improved. Using the notion of moving geometrically necessary dislocations (GNDs), suitable micromechanics interpretations are heuristically given for the higher order boundary conditions and the long distance particle interactions. Also, a comparison is made between this theory and the analogous virtual work principle (VWP)-based one, whereby their respective conceptual and methodological features are pointed out. The conditions under which the two theories lead to a same constitutive model are investigated, showing that, correspondingly, a certain indeterminacy exhibited by the VWP-based theory disappears. A phenomenological interface model is used to better point out differences and analogies of the two theories.