Mechanical annealing under low-amplitude cyclic loading in micropillars

Mechanical annealing has been demonstrated to be an effective method for decreasing the overall dislocation density in submicron single crystal. However, simultaneously significant shape change always unexpectedly happens under extremely high monotonic loading to drive the pre-existing dislocations out of the free surfaces. In the present work, through in situ TEM experiments it is found that cyclic loading with low stress amplitude can drive most dislocations out of the submicron sample with virtually little change of the shape. The underlying dislocation mechanism is revealed by carrying out discrete dislocation dynamic (DDD) simulations. The simulation results indicate that the dislocation density decreases within cycles, while the accumulated plastic strain is small. By comparing the evolution of dislocation junction under monotonic, cyclic and relaxation deformation, the cumulative irreversible slip is found to be the key factor of promoting junction destruction and dislocation annihilation at free surface under low-amplitude cyclic loading condition. By introducing this mechanics into dislocation density evolution equations, the critical conditions for mechanical annealing under cyclic and monotonic loadings are discussed. Low-amplitude cyclic loading which strengthens the single crystal without seriously disturbing the structure has the potential applications in the manufacture of defect-free nano-devices.     

Experimental lower bounds on geometrically necessary dislocation density

A single nickel crystal is indented with a wedge indenter such that a two-dimensional deformation state with three effective plane strain slip systems is induced. The in-plane lattice rotation of the crystal lattice is measured with a three micrometer spatial resolution using Orientation Imaging Microscopy (OIM). All non-zero components of the Nye dislocation density tensor are calculated from the lattice rotation field. A rigorous analytical expression is derived for the lower bound of the total Geometrically Necessary Dislocation (GND) density. Existence and uniqueness of the lower bound are demonstrated, and the apportionment of the total GND density onto the effective individual slip systems is determined. The lower bound solution reduces to the exact solution under circumstances in which only one or two of the effective slip systems are known to have been activated. The results give insight into the active slip systems as well as the dislocation structures formed in the nickel crystal as a result of the wedge indentation.     

Energetic dislocation interactions and thermodynamical aspects of strain gradient crystal plasticity theories

This paper focuses on the unification of two frequently used and apparently different strain gradient crystal plasticity frameworks: (i) the physically motivated strain gradient crystal plasticity models proposed by Evers et al. [2004a. Non-local crystal plasticity model with intrinsic SSD and GND effects. Journal of the Mechanics and Physics of Solids 52, 2379-2401; 2004b. Scale dependent crystal plasticity framework with dislocation density and grain boundary effects. International Journal of Solids and Structures 41, 5209-5230] and Bayley et al. [2006. A comparison of dislocation induced back stress formulations in strain gradient crystal plasticity. International Journal of Solids and Structure 43, 7268-7286; 2007. A three dimensional dislocation field crystal plasticity approach applied to miniaturized structures. Philosophical Magazine 87, 1361-1378] (here referred to as Evers-Bayley type models), where a physical back stress plays the most important role and which are further extended here to deal with truly large deformations, and (ii) the thermodynamically consistent strain gradient crystal plasticity model of Gurtin (2002-2008) (here referred to as the Gurtin type model), where the energetic part of a higher order micro-stress is derived from a non-standard free energy function. The energetic micro-stress vectors for the Gurtin type models are extracted from the definition of the back stresses of the improved Evers-Bayley type models. The possible defect energy forms that yield the derived physically based micro-stresses are discussed. The duality of both type of formulations is shown further by a comparison of the micro-boundary conditions. As a result, this paper provides a direct physical interpretation of the different terms present in Gurtin's model.     

Elastic Symmetries of Defective Crystals

I construct discrete and continuous crystal structures that are compatible with a given choice of dislocation density tensor, and (following Mal’cev) provide a canonical form for these discrete structures. The symmetries of the discrete structures extend uniquely to symmetries of corresponding continuous structures—I calculate these symmetries explicitly for a particular choice of dislocation density tensor and deduce corresponding constraints on energy functions which model defective crystals.     

A deformation theory of strain gradient crystal plasticity that accounts for geometrically necessary dislocations

We propose a deformation theory of strain gradient crystal plasticity that accounts for the density of geometrically necessary dislocations by including, as an independent kinematic variable, Nye's dislocation density tensor [1953. Acta Metallurgica 1, 153-162]. This is accomplished in the same fashion as proposed by Gurtin and co-workers (see, for instance, Gurtin and Needleman [2005. J. Mech. Phys. Solids 53, 1-31]) in the context of a flow theory of crystal plasticity, by introducing the so-called defect energy. Moreover, in order to better describe the strengthening accompanied by diminishing size, we propose that the classical part of the plastic potential may be dependent on both the plastic slip vector and its gradient; for single crystals, this also makes it easier to deal with the “higher-order” boundary conditions. We develop both the kinematic formulation and its static dual and apply the theory to the simple shear of a constrained strip (example already exploited in Shu et al. [2001. J. Mech. Phys. Solids 49, 1361-1395], Bittencourt et al. [2003. J. Mech. Phys. Solids 51, 281-310], Niordson and Hutchinson [2003. Euro J. Mech. Phys. Solids 22, 771-778], Evers et al. [2004. J. Mech. Phys. Solids 52, 2379-2401], and Anand et al. [2005. J. Mech. Phys. Solids 53, 1789-1826]) to investigate what sort of behaviour the new model predicts. The availability of the total potential energy functional and its static dual allows us to easily solve this simple boundary value problem by resorting to the Ritz method.     

On the evolution of crystallographic dislocation density in non-homogeneously deforming crystals

A set of evolution equations for dislocation density is developed incorporating the combined evolution of statistically stored and geometrically necessary densities. The statistical density evolves through Burgers vector-conserving reactions based in dislocation mechanics. The geometric density evolves due to the divergence of dislocation fluxes associated with the inhomogeneous nature of plasticity in crystals. Integration of the density-based model requires additional dislocation density/density-flux boundary conditions to complement the standard traction/displacement boundary conditions. The dislocation density evolution equations and the coupling of the dislocation density flux to the slip deformation in a continuum crystal plasticity model are incorporated into a finite element model. Simulations of an idealized crystal with a simplified slip geometry are conducted to demonstrate the length scale-dependence of the mechanical behavior of the constitutive model. The model formulation and simulation results have direct implications on the ability to explicitly model the interaction of dislocation densities with grain boundaries and on the net effect of grain boundaries on the macroscopic mechanical response of polycrystals.     

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.     

Influence of material parameters and crystallography on the size effects describable by means of strain gradient plasticity

In the context of single-crystal strain gradient plasticity, we focus on the simple shear of a constrained strip in order to study the effects of the material parameters possibly involved in the modelling. The model consists of a deformation theory suggested and left undeveloped by Bardella [(2007). Some remarks on the strain gradient crystal plasticity modelling, with particular reference to the material length scales involved. Int. J. Plasticity 23, 296–322] in which, for each glide, three dissipative length scales are considered; they enter the model through the definition of an effective slip which brings into the isotropic hardening function the relevant plastic strain gradients, averaged by means of a p-norm. By means of the defect energy (i.e., a function of Nye's dislocation density tensor added to the free energy; see, e.g., Gurtin [2002. A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations. J. Mech. Phys. Solids 50, 5–32]), the model further involves an energetic material length scale. The application suggests that two dissipative length scales may be enough to qualitatively describe the size effect of metals at the microscale, and they are chosen in such a way that the higher-order state variables of the model be the dislocation densities. Moreover, we show that, depending on the crystallography, the size effect governed by the defect energy may be different from what expected (based on the findings of [Bardella, L., 2006. A deformation theory of strain gradient crystal plasticity that accounts for geometrically necessary dislocations. J. Mech. Phys. Solids 54, 128–160] and [Gurtin et al. 2007. Gradient single-crystal plasticity with free energy dependent on dislocation densities. J. Mech. Phys. Solids 55, 1853–1878]), leading mostly to some strengthening. In order to investigate the model capability, we also exploit a Γ-convergence technique to find closed-form solutions in the “isotropic limit”. Finally, we analytically show that in the “perfect plasticity” case, should the dissipative length scales be set to zero, the presence of the sole energetic length scale may lead, as in standard plasticity, to non-uniqueness of solutions.     

Size effects and dislocation patterning in two-dimensional bending

We perform atomistic Monte Carlo simulations of bending a Lennard-Jones single crystal in two dimensions. Dislocations nucleate only at the free surface as there are no sources in the interior of the sample. When dislocations reach sufficient density, they spontaneously coalesce to nucleate grain boundaries, and the resulting microstructure depends strongly on the initial crystal orientation of the sample. In initial yield, we find a reverse size effect, in which larger samples show a higher scaled bending moment than smaller samples for a given strain and strain rate. This effect is associated with source-limited plasticity and high strain rate relative to dislocation mobility, and the size effect in initial yield disappears when we scale the data to account for strain rate effects. Once dislocations coalesce to form grain boundaries, the size effect reverses and we find that smaller crystals support a higher scaled bending moment than larger crystals. This finding is in qualitative agreement with experimental results. Finally, we observe an instability at the compressed crystal surface that suggests a novel mechanism for the formation of a hillock structure. The hillock is formed when a high angle grain boundary, after absorbing additional dislocations, becomes unstable and folds to form a new crystal grain that protrudes from the free surface.     

Quantifying dislocation microstructure evolution and cyclic hardening in fatigued face-centered cubic single crystals

Discrete dislocation dynamics simulations were performed to investigate the dislocation microstructure evolution and cyclic hardening during the early stages of fatigue loading in nickel single crystals. The effects of the crystal size and initial dislocation densities on both the mechanical response and the evolution of dislocation microstructure were quantified. Crystals having an initial dislocation density of 10¹²  m⁻² and diameter less than $2.0\mathrm{\mu }\mathrm{m}$ do not show any dislocation density multiplication or cyclic hardening. In contrast, crystals having the same initial dislocation density and diameters larger than $2.0\mathrm{\mu }\mathrm{m}$ show a significant dislocation density accumulation in the form of dislocation cell-like structures, even after only a few number of loading cycles. This dislocation density accumulation was also accompanied by considerable cyclic hardening. The dislocation cell size and its wall thickness increase with increasing crystal size. With increasing dislocation density the critical crystal size, at which dislocation cell-structures form, decreases. The information theoretic entropy is utilized as a metric to quantify the extent of dislocation patterning and the formation and evolution of dislocation cell structures over time. Cross-slip was found to play a dominant role in the dislocation cell-structure formation. Further insights on the mechanisms contributing to the observed behavior are presented and discussed.     

Strain gradient plasticity modeling of the cyclic behavior of laminate microstructures

Two recently proposed Helmholtz free energy potentials including the full dislocation density tensor as an argument within the framework of strain gradient plasticity are used to predict the cyclic elastoplastic response of periodic laminate microstructures. First, a rank-one defect energy is considered, allowing for a size-effect on the overall yield strength of micro-heterogeneous materials. As a second candidate, a logarithmic defect energy is investigated, which is motivated by the work of Groma et al. (2003). The properties of the back-stress arising from both energies are investigated in the case of a laminate microstructure for which analytical as well as numerical solutions are derived. In this context, a new regularization technique for the numerical treatment of the rank-one potential is presented based on an incremental potential involving Lagrange multipliers. The results illustrate the effect of the two energies on the macroscopic size-dependent stress–strain response in monotonic and cyclic shear loading, as well as the arising pile-up distributions. Under cyclic loading, stress–strain hysteresis loops with inflections are predicted by both models. The logarithmic potential is shown to provide a continuum formulation of Asaro's type III kinematic hardening model. Experimental evidence in the literature of such loops with inflections in two-phased FFC alloys is provided, showing that the proposed strain gradient models reflect the occurrence of reversible plasticity phenomena under reverse loading.     

Nonlocal continuum crystal plasticity with internal residual stresses

We derive a three-dimensional constitutive theory accounting for length-scale dependent internal residual stresses in crystalline materials that develop due to a non-homogeneous spatial distribution of the excess dislocation (edge and screw) density. The second-order internal stress tensor is derived using the Beltrami stress function tensor φ that is related to the Nye dislocation density tensor. The formulation is derived explicitly in a three-dimensional continuum setting for elastically isotropic materials. The internal stresses appear as additional resolved shear stresses in the crystallographic visco-plastic constitutive law for individual slip systems. Using this formulation, we investigate two boundary value problems involving single crystals under symmetric double slip. In the first problem, the response of a geometrically imperfect specimen subjected to monotonic and cyclic loading is investigated. The internal stresses affect the overall strengthening and hardening under monotonic loading, which is mediated by the severity of initial imperfections. Such imperfections are common in miniaturized specimens in the form of tapered surfaces, fillets, fabrication induced damage, etc., which may produce strong gradients in an otherwise nominally homogeneous loading condition. Under cyclic loading the asymmetry in the tensile and compressive strengths due to this internal stress is also strongly influenced by the degree of imperfection. In the second example, we consider simple shear of a single crystalline lamella from a layered specimen. The lamella exhibits strengthening with decreasing thickness and increasing lattice incompatibility with shearing direction. However, as the thickness to internal length-scale ratio becomes small the strengthening saturates due to the saturation of the internal stress.Finally, we present the extension of this approach for crystalline materials exhibiting elastic anisotropy, which essentially depends on the appropriate Green function within φ.     

Continuum thermodynamic models for crystal plasticity including the effects of geometrically-necessary dislocations

The purpose of this work is the formulation of constitutive models for the inelastic material behaviour of single crystals and polycrystals in which geometrically necessary dislocations (GNDs) may develop and influence this behaviour. To this end, we focus on the dependence of the development of such dislocations on the inhomogeneity of the inelastic deformation in the material. More precisely, in the crystal plasticity context, this is a relation between the density of GNDs and the inhomogeneity of inelastic deformation in glide systems. In this work, two models for GND density and its evolution, i.e., a glide-system-based model, and a continuum model, are formulated and investigated. As it turns out, the former of these is consistent with the original two-dimensional GND model of Ashby (Philos. Mag. 21 (1970) 399), and the latter with the more recent model of Dai and Parks (Proceedings of Plasticity ’97, Neat Press, 1997, p. 17). Since both models involve a dependence of the inelastic state of a material point on the (history of the) inhomogeneity of the glide-system inelastic deformation, their incorporation into crystal plasticity modelling necessarily implies a corresponding non-local generalization of this modelling. As it turns out, a natural quantity on which to base such a non-local continuum thermodynamic generalization, i.e., in the context of crystal plasticity, is the glide-system (scalar) slip deformation. In particular, this is accomplished here by treating each such slip deformation as either (1), a generalized “gradient” internal variable, or (2), as a scalar internal degree-of-freedom. Both of these approaches yield a corresponding generalized Ginzburg-Landau- or Cahn-Allen-type field relation for this scalar deformation determined in part by the dependence of the free energy on the dislocation state in the material. In the last part of the work, attention is focused on specific models for the free energy and its dependence on this state. After summarizing and briefly discussing the initial-boundary-value problem resulting from the current approach as well as its algorithmic form suitable for numerical implementation, the work ends with a discussion of additional aspects of the formulation, and in particular the connection of the approach to GND modelling taken here with other approaches.     

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.     

Compliant interfaces: A mechanism for relaxation of dislocation pile-ups in a sheared single crystal

Discrete dislocation plasticity models and strain-gradient plasticity theories are used to investigate the role of interfaces in the elastic–plastic response of a sheared single crystal. The upper and lower faces of a single crystal are bonded to rigid adherends via interfaces of finite thickness. The sandwich system is subjected to simple shear, and the effect of thickness of crystal layer and of interfaces upon the overall response are explored. When the interface has a modulus less than that of the bulk material, both the predicted plastic size effect and the Bauschinger effect are considerably reduced. This is due to the relaxation of the dislocation stress field by the relatively compliant surface layer. On the other hand, when the interface has a modulus equal to that of the bulk material a strong size effect in hardening as well as a significant reverse plasticity are observed in small specimens. These effects are attributed to the energy stored in the elastic fields of the geometrically necessary dislocations (GNDs).     

基于晶体塑性理论研究铝材料高压高应变率下的强度特性

为了了解金属材料在极端加载下复杂动态响应过程中的多种机制和效应,重点针对Al材料在高压、高应变率加载下的塑性变形机制,在经典晶体塑性模型的基础上,对其中的非线性弹性、位错动力学和硬化形式进行改进,建立适用于高压、高应变率加载下的热弹-黏塑性晶体塑性模型。该模型可以较好地描述单晶铝和多晶铝材料屈服强度随压力的变化过程,相比宏观模型,用该模型还获得了多晶Al材料在冲击加载下的织构演化规律,揭示了织构择优取向行为和压力的关系。