An elasto-plastic theory of dislocation and disclination fields

A linear theory of the elasto-plasticity of crystalline solids based on a continuous representation of crystal defects – dislocations and disclinations – is presented. The model accounts for the translational and rotational aspects of lattice incompatibility, respectively associated with the presence of dislocations and disclinations. The defects content relates to the incompatible plastic strain and curvature tensors. The stress state is described by using the conjugate variables to strain and curvature, i.e., the stress and couple-stress tensors. Defect motion is described by two transport equations. A dynamic interplay between dislocations and disclinations results from a disclination-induced source term in the transport of dislocations. Thermodynamic guidance provides the driving forces conjugate to dislocation and disclination velocity in a continuous context, as well as admissible constitutive relations for the latter. When dislocation and disclination velocity vanish, the model reduces to deWit’s elasto-static theory of crystal defects. It also reduces to Acharya’s linear elasto-plastic theory for dislocation fields when the disclination density is ignored. The theory is intended for use in instances where rotational defects matter, such as grain boundaries. To illustrate its applicability, a finite high-angle tilt boundary is modeled using a disclination dipole and its behavior under tensile loading normal to the boundary is shown.     

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.     

A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations

This study develops a gradient theory of single-crystal plasticity that accounts for geometrically necessary dislocations. The theory is based on classical crystalline kinematics; classical macroforces; microforces for each slip system consistent with a microforce balance; a mechanical version of the second law that includes, via the microforces, work performed during slip; a rate-independent constitutive theory that includes dependences on a tensorial measure of geometrically necessary dislocations. The microforce balances are shown to be equivalent to nonlocal yield conditions for the individual slip systems. The field equations consist of the yield conditions coupled to the standard macroscopic force balance; these are supplemented by classical macroscopic boundary conditions in conjunction with nonstandard boundary conditions associated with slip. As an aid to solution, a weak (virtual power) formulation of the nonlocal yield conditions is derived. To make contact with classical dislocation theory, the microstresses are shown to represent counterparts of the Peach-Koehler force on a single dislocation.     

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.     

A crystal plasticity model that incorporates stresses and strains due to slip gradients

This work is concerned with incorporating the kinematic and stress effects of excess dislocations in a constitutive model for the elastoplastic behavior of crystalline materials. The foundation of the model is a three term multiplicative decomposition of the deformation gradient in which the two classical terms of plastic and elastic deformation are included along with an additional term for long range strain due to the collective effects of excess dislocations. The long range strain is obtained from an assumed density of Volterra edge dislocations and is directly related to gradients in slip. A new material parameter emerges which is the size the region about a continuum point that contributes to long range strains.Using Hookean elasticity, the stress at a point is linearly related to the sum of the elastic plus the long range strain fields. However, the driving force for slip is postulated to be due only to the elastic stress so that the long range stress is a back stress in the constitutive relationship for plastic deformation. A consistent balance of the total deformation rate with the three proposed mechanisms of deformation leads to a set of differential equations that can be solved for the elastic stress, rotation and pressure which then implicitly defines the material state and equilibrium stress. Results from the simulation of a tapered tensile specimen demonstrate that the constitutive model exhibits isotropic and kinematic type hardening effects as well as changes in the pattern of plastic deformation and necking when compared to a material without slip gradient effects.     

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.     

Wedge and twist disclinations in second strain gradient elasticity

The aim of this paper is to study disclinations in the framework of a second strain gradient elasticity theory. This second strain gradient elasticity has been proposed based on the first and second gradients of the strain tensor by Lazar et al. [Lazar, M., Maugin, G.A., Aifantis, E.C., 2006. Dislocations in second strain gradient elasticity. Int. J. Solids Struct. 43, 1787–1817]. Such a theory is an extension of the first strain gradient elasticity [Lazar, M., Maugin, G.A., 2005. Nonsingular stress and strain fields of dislocations and disclinations in first strain gradient elasticity. Int. J. Eng. Sci. 43, 1157–1184] with triple stress. By means of the stress function method, the exact analytical solutions for stress and strain fields of straight disclinations in an infinitely extended linear isotropic medium have been found. An important result is that the force stress, double stress and triple stress produced by wedge and twist disclinations are nonsingular. Meanwhile, the corresponding elastic strain and its gradients are also nonsingular. Analytical results indicate that the second strain gradient theory has the capacity of eliminating all unphysical singularities of physical fields.     

A finite-deformation,gradient theory of single-crystal plasticity with free energy dependent on the accumulation of geometrically necessary dislocations

This paper develops a gradient theory of single-crystal plasticity based on a system of microscopic force balances, one balance for each slip system, derived from the principle of virtual power, and a mechanical version of the second law that includes, via the microscopic forces, work performed during plastic flow. When combined with thermodynamically consistent constitutive relations the microscopic force balances become nonlocal flow rules for the individual slip systems in the form of partial differential equations requiring boundary conditions. Central ingredients in the theory are geometrically necessary edge and screw dislocations together with a free energy that accounts for work hardening through a dependence on the accumulation of geometrically necessary dislocations.     

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.     

Finite deformation analysis of mechanism-based strain gradient plasticity: torsion and crack tip field

A finite deformation theory of mechanism-based strain gradient (MSG) plasticity is developed in this paper based on the Taylor dislocation model. The theory ensures the proper decomposition of deformation in order to exclude the volumetric deformation from the strain gradient tensor since the latter represents the density of geometrically necessary dislocations. The solution for a thin cylinder under large torsion is obtained. The numerical method is used to investigate the finite deformation crack tip field in MSG plasticity. It is established that the stress level around a crack tip in MSG plasticity is significantly higher than its counterpart (i.e. HRR field) in classical plasticity.     

A physically based gradient plasticity theory

The intent of this work is to derive a physically motivated mathematical form for the gradient plasticity that can be used to interpret the size effects observed experimentally. The step of translating from the dislocation-based mechanics to a continuum formulation is explored. This paper addresses a possible, yet simple, link between the Taylor’s model of dislocation hardening and the strain gradient plasticity. Evolution equations for the densities of statistically stored dislocations and geometrically necessary dislocations are used to establish this linkage. The dislocation processes of generation, motion, immobilization, recovery, and annihilation are considered in which the geometric obstacles contribute to the storage of statistical dislocations. As a result, a physically sound relation for the material length scale parameter is obtained as a function of the course of plastic deformation, grain size, and a set of macroscopic and microscopic physical parameters. Comparisons are made of this theory with experiments on micro-torsion, micro-bending, and micro-indentation size effects.     

On kinematic,thermodynamic, and kinetic coupling of a damage theory for polycrystalline material

The paper proposes a new consistent formulation of polycrystalline finite-strain elasto-plasticity coupling kinematics and thermodynamics with damage using an extended multiplicative decomposition of the deformation gradient that accounts for temperature effects. The macroscopic deformation gradient comprises four terms: thermal deformation associated with the thermal expansion, the deviatoric plastic deformation attributed to the history of dislocation glide/movement, the volumetric deformation gradient associated with dissipative volume change of the material, and the elastic or recoverable deformation associated with the lattice rotation/stretch. Such a macroscopic decomposition of the deformation gradient is physically motivated by the mechanisms underlying lattice deformation, plastic flow, and evolution of damage in polycrystalline materials. It is shown that prescribing plasticity and damage evolution equations in their physical intermediate configurations leads to physically justified evolution equations in the current configuration. In the past, these equations have been modified in order to represent experimentally observed behavior with regard to damage evolution, whereas in this paper, these modifications appear naturally through mappings by the multiplicative decomposition of the deformation gradient. The prescribed kinematics captures precisely the damage deformation (of any rank) and does not require introducing a fictitious undamaged configuration or mechanically equivalent of the real damaged configuration as used in the past.     

A fracture criterion for finitely deforming crystalline solids—The dynamic fracture of single crystals

The major objective of this work has been to develop, within a continuum framework, a microstructurally-based computational theory to investigate dynamic failure in metals. To model the nucleation and propagation of failure surfaces at the microstructural scale, under large deformations and dynamic loading conditions, general finite-deformation theory, as relating to the decomposition of the deformation gradient, was tailored to monitor displacement incompatibilities and fracture in crystalline solids subjected to large deformations. Based on this proposed decomposition, a general fracture criterion for finitely deforming crystals, using the integral law of incompatibility, was developed. The analyses indicate that this newly proposed fracture formulation and criterion can be validated with experimental results, and can be used to accurately predict brittle and ductile failure modes for the large deformation of single crystals. As part of the newly proposed decomposition of the deformation gradient, sub-problems can also be solved for lattice distortions, such as twinning and geometrically necessary dislocation (GND) densities. Accordingly, the interactions of GND densities with cracks were investigated for single crystals. GND densities were shown to form as loops for stationary crack tips, but no loops formed for propagating cracks.