Distributional and regularized radiation fields of non-uniformly moving straight dislocations,and elastodynamic Tamm problem

This work introduces original explicit solutions for the elastic fields radiated by non-uniformly moving, straight, screw or edge dislocations in an isotropic medium, in the form of time-integral representations in which acceleration-dependent contributions are explicitly separated out. These solutions are obtained by applying an isotropic regularization procedure to distributional expressions of the elastodynamic fields built on the Green tensor of the Navier equation. The obtained regularized field expressions are singularity-free, and depend on the dislocation density rather than on the plastic eigenstrain. They cover non-uniform motion at arbitrary speeds, including faster-than-wave ones. A numerical method of computation is discussed, that rests on discretizing motion along an arbitrary path in the plane transverse to the dislocation, into a succession of time intervals of constant velocity vector over which time-integrated contributions can be obtained in closed form. As a simple illustration, it is applied to the elastodynamic equivalent of the Tamm problem, where fields induced by a dislocation accelerated from rest beyond the longitudinal wave speed, and thereafter put to rest again, are computed. As expected, the proposed expressions produce Mach cones, the dynamic build-up and decay of which is illustrated by means of full-field calculations.     

Causal Stroh formalism for uniformly-moving dislocations in anisotropic media: Somigliana dislocations and Mach cones

In this work, Stroh’s formalism is endowed with causal properties on the basis of an analysis of the radiation condition in the Green tensor of the elastodynamic wave equation. The modified formalism is applied to dislocations moving uniformly in an anisotropic medium. In practice, accounting for causality amounts to a simple analytic continuation procedure whereby to the dislocation velocity is added an infinitesimal positive imaginary part. This device allows for a straightforward computation of velocity-dependent field expressions that are valid whatever the dislocation velocity–including supersonic regimes–without needing to consider subsonic and supersonic cases separately. As an illustration, the distortion field of a Somigliana dislocation of the Peierls–Nabarro–Eshelby-type with finite-width core is computed analytically, starting from the Green’s tensor of elastodynamics. To obtain the result in the form of a single compact expression, use of the modified Stroh formalism requires splitting the Green’s function into its reactive and radiative parts. In supersonic regimes, the solution obtained displays Mach cones, which are supported by Dirac measures in the Volterra limit. From these results, an explanation of Payton’s ‘backward’ Mach cones (Payton, 1995) is given in terms of slowness surfaces, and a simple criterion for their existence is derived. The findings are illustrated by full-field calculations from analytical formulas for a dislocation of finite width in iron, and by Huygens-type geometric constructions of Mach cones from ray surfaces.     

Effect of solutes on dislocation motion —a phase-field simulation

Based on recent advances in phase-field models for integrating phase and defect microstructures as well as dislocation dynamics, the interactions between diffusional solutes and moving dislocations under applied stresses are studied in three dimensions. A new functional form for describing the eigenstrains of dislocations is proposed, eliminating the dependence of the magnitude of the dislocation Burgers vector on the applied stress and providing correct stress fields of dislocations. A relationship between the velocity of the dislocation and the applied stress is obtained by theoretical analysis and numerical simulations. The operation of Frank–Read sources in the presence of diffusional solutes, the effect of chemical interactions in solid solution on the equilibrium distribution of Cottrell atmosphere, and the drag effect of Cottrell atmosphere on dislocation motion are examined. The results demonstrate that the phase-field model correctly describes the long-range elastic interactions and short-range chemical interactions that control dislocation motion.     

A single theory for some quasi-static,supersonic, atomic,and tectonic scale applications of dislocations

We describe a model based on continuum mechanics that reduces the study of a significant class of problems of discrete dislocation dynamics to questions of the modern theory of continuum plasticity. As applications, we explore the questions of the existence of a Peierls stress in a continuum theory, dislocation annihilation, dislocation dissociation, finite-speed-of-propagation effects of elastic waves vis-a-vis dynamic dislocation fields, supersonic dislocation motion, and short-slip duration in rupture dynamics.     

Continuum dynamics of the formation,migration and dissociation of self-locked dislocation structures on parallel slip planes

In continuum models of dislocations, proper formulations of short-range elastic interactions of dislocations are crucial for capturing various types of dislocation patterns formed in crystalline materials. In this article, the continuum dynamics of straight dislocations distributed on two parallel slip planes is modelled through upscaling the underlying discrete dislocation dynamics. Two continuum velocity field quantities are introduced to facilitate the discrete-to-continuum transition. The first one is the local migration velocity of dislocation ensembles which is found fully independent of the short-range dislocation correlations. The second one is the decoupling velocity of dislocation pairs controlled by a threshold stress value, which is proposed to be the effective flow stress for single slip systems. Compared to the almost ubiquitously adopted Taylor relationship, the derived flow stress formula exhibits two features that are more consistent with the underlying discrete dislocation dynamics: (i) the flow stress increases with the in-plane component of the dislocation density only up to a certain value, hence the derived formula admits a minimum inter-dislocation distance within slip planes; (ii) the flow stress smoothly transits to zero when all dislocations become geometrically necessary dislocations. A regime under which inhomogeneities in dislocation density grow is identified, and is further validated through comparison with discrete dislocation dynamical simulation results. Based on the findings in this article and in our previous works, a general strategy for incorporating short-range dislocation correlations into continuum models of dislocations is proposed.     

Modeling of thermally activated dislocation glide and plastic flow through local obstacles

A unified phenomenological model is developed to study the dislocation glide through weak obstacles during the first stage of plastic deformation in metals. This model takes into account both the dynamical responses of dislocations during the flight process and thermal activations while dislocations are bound by obstacle arrays. The average thermal activation rate is estimated using an analytical model based on the generalized Friedel relations. Then, the average flight velocity after an activation event is obtained numerically by discrete dislocation dynamics (DD). To simulate the dynamical dislocation behavior, the inertia term is implemented into the equation of dislocation motion within the DD code. The results from the DD simulations, coupled with the analytical model, determine the total dislocation velocity as a function of the stress and temperatures. By choosing parameters typical of the face centered cubic metals, the model reproduces both obstacle control and drag control motion in low and high velocity regimes, respectively. As expected by other string models, dislocation overshoots of obstacles caused by the dislocation inertia at the collisions are enhanced as temperature goes down.     

A discrete dislocation analysis of bending

Bending of a strip in plane strain is analyzed using discrete dislocation plasticity where the dislocations are modeled as line defects in a linear elastic medium. At each stage of loading, superposition is used to represent the solution in terms of the infinite medium solution for the discrete dislocations and a complementary solution that enforces the boundary conditions, which is non-singular and obtained from a linear elastic, finite element solution. The lattice resistance to dislocation motion, dislocation nucleation and dislocation annihilation are incorporated into the formulation through a set of constitutive rules. Solutions for cases with multiple slip systems and with a single slip system are presented. The bending moment versus rotation relation and the evolution of the dislocation structure are outcomes of the boundary value problem solution. The effects of slip geometry, obstacles to dislocation motion and specimen size on the moment versus rotation response are considered. Also, the evolution of the dislocation structure is studied with emphasis on the role of geometrically necessary dislocations. The dislocation structure that develops leads to well-defined slip bands, with the slip band spacing scaling with the specimen height.     

Screw and edge dislocations with time-dependent core width: From dynamical core equations to an equation of motion

Building on ideas introduced by Eshelby in 1953, and on recent dynamical extensions of the Peierls model for screw and edge dislocations, an approximate equation of motion (EoM) to govern non-uniform dislocation motion under time-varying stress is derived, allowing for time variations of the core width. Non-local in time, it accounts for radiative visco-inertial effects and non-radiative drag. It is completely determined by energy functions computed at constant velocity. Various limits are examined, including that of vanishing core width. Known results are retrieved as particular cases. Notably, the EoM reduces to Rosakis's Model I for steady motion [Rosakis, P., 2001. Supersonic dislocation kinetics from an augmented Peierls model. Phys. Rev. Lett. 86, 95–98]. The frequency-dependent effective response coefficients are obtained within the linearized theory, and the dynamical self-force is studied for abrupt or smooth velocity changes accompanied by core variations in the full theory. A quantitative distinction is made between low- and high-acceleration regimes, in relation to occurrence of time-logarithmic behavior.     

Finite element approximation of field dislocation mechanics

A tool for studying links between continuum plasticity and dislocation theory within a field framework is presented. A finite element implementation of the geometrically linear version of a recently proposed theory of field dislocation mechanics (J. Mech. Phys. Solids 49 (2001) 761; Proc. Roy. Soc. 459 (2003) 1343; J. Mech. Phys. Solids 52 (2004) 301) represents the main idea behind the tool. The constitutive ingredients of the theory under consideration are simply elasticity and a specification of dislocation velocity and nucleation. The set of equations to be approximated are non-standard in the context of solid mechanics applications. It comprises the standard second-order equilibrium equations, a first-order div-curl system for the elastic incompatibility, and a first-order, wave-propagative system for the evolution of dislocation density. The latter two sets of equations require special treatment as the standard Galerkin method is not adequate, and are solved utilizing a least-squares finite element strategy. The implementation is validated against analytical results of the classical elastic theory of dislocations and analytical results of the theory itself. Elastic stress fields of dislocation distributions in generally anisotropic media of finite extent, deviation from elastic response, yield-drop, and back-stress are shown to be natural consequences of the model. The development of inhomogeneity, from homogeneous initial conditions and boundary conditions corresponding to homogeneous deformation in conventional plasticity, is also demonstrated. To our knowledge, this work represents the first computational implementation of a theory of dislocation mechanics where no analytical results, singular solutions in particular, are required to formulate the implementation. In particular, a part of the work is the first finite element implementation of Kröner's linear elastic theory of continuously distributed dislocations in its full generality.     

Continuum approximation of the Peach-Koehler force on dislocations in a slip plane

We derive a continuum model for the Peach-Koehler force on dislocations in a slip plane. To represent the dislocations, we use the disregistry across the slip plane, whose gradient gives the density and direction of the dislocations. The continuum model is derived rigorously from the Peach-Koehler force on dislocations in a region that contains many dislocations. The resulting continuum model can be written as the variation of an elastic energy that consists of the contribution from the long-range elastic interaction of dislocations and a correction due to the line tension effect.     

Three-dimensional formulation of dislocation climb

We derive a Green's function formulation for the climb of curved dislocations and multiple dislocations in three-dimensions. In this new dislocation climb formulation, the dislocation climb velocity is determined from the Peach–Koehler force on dislocations through vacancy diffusion in a non-local manner. The long-range contribution to the dislocation climb velocity is associated with vacancy diffusion rather than from the climb component of the well-known, long-range elastic effects captured in the Peach–Koehler force. Both long-range effects are important in determining the climb velocity of dislocations. Analytical and numerical examples show that the widely used local climb formula, based on straight infinite dislocations, is not generally applicable, except for a small set of special cases. We also present a numerical discretization method of this Green's function formulation appropriate for implementation in discrete dislocation dynamics (DDD) simulations. In DDD implementations, the long-range Peach–Koehler force is calculated as is commonly done, then a linear system is solved for the climb velocity using these forces. This is also done within the same order of computational cost as existing discrete dislocation dynamics methods.     

Configurational force on a lattice dislocation and the Peierls stress

The solution for a crystalline edge dislocation is presented within a framework of continuum linear elasticity, and is compared with the Peierls–Nabarro solution based on a semi-discrete method. The atomic disregistry and the shear stress across the glide plane are discussed. The Peach–Koehler configurational force is introduced as the gradient of the strain energy with respect to the dislocation position between its two consecutive equilibrium positions. The core radius is assumed to vary periodically between equilibrium positions of the dislocation. The critical force is expressed in terms of the core radii or the energies of the stable and unstable equilibrium configurations. This is used to estimate the Peierls stress for both wide and narrow dislocations.     

Singularity-free dislocation dynamics with strain gradient elasticity

The singular nature of the elastic fields produced by dislocations presents conceptual challenges and computational difficulties in the implementation of discrete dislocation-based models of plasticity. In the context of classical elasticity, attempts to regularize the elastic fields of discrete dislocations encounter intrinsic difficulties. On the other hand, in gradient elasticity, the issue of singularity can be removed at the outset and smooth elastic fields of dislocations are available. In this work we consider theoretical and numerical aspects of the non-singular theory of discrete dislocation loops in gradient elasticity of Helmholtz type, with interest in its applications to three dimensional dislocation dynamics (DD) simulations. The gradient solution is developed and compared to its singular and non-singular counterparts in classical elasticity using the unified framework of eigenstrain theory. The fundamental equations of curved dislocation theory are given as non-singular line integrals suitable for numerical implementation using fast one-dimensional quadrature. These include expressions for the interaction energy between two dislocation loops and the line integral form of the generalized solid angle associated with dislocations having a spread core. The single characteristic length scale of Helmholtz elasticity is determined from independent molecular statics (MS) calculations. The gradient solution is implemented numerically within our variational formulation of DD, with several examples illustrating the viability of the non-singular solution. The displacement field around a dislocation loop is shown to be smooth, and the loop self-energy non-divergent, as expected from atomic configurations of crystalline materials. The loop nucleation energy barrier and its dependence on the applied shear stress are computed and shown to be in good agreement with atomistic calculations. DD simulations of Lomer–Cottrell junctions in Al show that the strength of the junction and its configuration are easily obtained, without ad-hoc regularization of the singular fields. Numerical convergence studies related to the implementation of the non-singular theory in DD are presented.     

Transient studies of screw and edge dislocation generation at crack edges

Exact transient analyses of the generation of screw and edge dislocations at the edges of stationary cracks subjected to the diffraction of, respectively, plane SH- and SV-waves, and their subsequent arrest are performed. The solutions are examined in light of a dislocation emission criterion which is based, simultaneously, on standard dislocation force concepts and quasi-static emission studies.This examination allows expressions for the times of emission and arrest, the distances traveled by the dislocations, and the dynamic stress intensity factors to be derived in terms of parameters such as dislocation speed and yield stress. These expressions exhibit distinctive dynamic effects and reveal several features of the generation process:In particular, the times and distances are, while on a micromechanical scale, not necessarily insignificant, and imply that purely brittle fracture may not easily occur. Then, edge dislocation emission would appear to occur at a preferred speed, while screw dislocation emission apparently prefers to take place quasi-statically.Examination of a general incident waveform class shows that a continuous wave could cause dislocation generation to occur before a step-stress wave can. Moreover, the emission process depends upon a weighted time history of the incident wave stress, not its instantaneous value. This, in turn, implies that dislocation emission does not necessarily shield the crack edge by lowering the dynamic stress intensity factor. Finally, unless the dislocations are allowed to decelerate to zero speed upon arrest, a repetitious process of start-stop motion can in principle take place.     

Discrete Crystal Elasticity and Discrete Dislocations in Crystals

This article is concerned with the development of a discrete theory of crystal elasticity and dislocations in crystals. The theory is founded upon suitable adaptations to crystal lattices of elements of algebraic topology and differential calculus such as chain complexes and homology groups, differential forms and operators, and a theory of integration of forms. In particular, we define the lattice complex of a number of commonly encountered lattices, including body-centered cubic and face-centered cubic lattices. We show that material frame indifference naturally leads to discrete notions of stress and strain in lattices. Lattice defects such as dislocations are introduced by means of locally lattice-invariant (but globally incompatible) eigendeformations. The geometrical framework affords discrete analogs of fundamental objects and relations of the theory of linear elastic dislocations, such as the dislocation density tensor, the equation of conservation of Burgers vector, Kröner's relation and Mura's formula for the stored energy. We additionally supply conditions for the existence of equilibrium displacement fields; we show that linear elasticity is recovered as the Γ-limit of harmonic lattice statics as the lattice parameter becomes vanishingly small; we compute the Γ-limit of dilute dislocation distributions of dislocations; and we show that the theory of continuously distributed linear elastic dislocations is recovered as the Γ-limit of the stored energy as the lattice parameter and Burgers vectors become vanishingly small.     

Nonlinear dispersion properties of high-frequency waves in the gradient theory of elasticity

The dispersion law ceases to be linear already at ultrasonic frequencies of elastic vibrations of particles as mechanical perturbation waves propagate through the medium. A variant of the continuum model of an elastic medium is proposed which is based on the assumption of pair and triplet potential interaction between infinitely small particles; this allows one to represent the dispersion law with any required accuracy. The corresponding wave equation, which is still linear, can have an arbitrarily large order of partial derivatives with respect to the coordinates. It is suggested that the results of comparing the representations of the dispersion law from the elasticity and solid-state physics viewpoints should be used to determine nonclassical characteristics of the elastic state of the medium. The theoretical conclusions are illustrated with calculations performed for plane waves propagating through aluminum.     

Analysis of dislocation nucleation from a crystal surface based on the Peierls-Nabarro dislocation model

Dislocation nucleation from a stressed crystal surface is analyzed based on the Peierls-Nabarro dislocation model. The variational boundary integral approach is used to obtain the profiles of the embryonic dislocations in various three-dimensional nucleation configurations. The stress-dependent activation energies required to activate dislocations from their stable to unstable saddle point configurations are determined. Compared to previous analyses of this type of problem based on continuum elastic dislocation theory, the present analysis eliminates the uncertain core cutoff parameter by allowing for the existence of an extended dislocation core as the embryonic dislocation evolves. Moreover, atomic information can be incorporated to reveal the dependence of the nucleation process on the profile of the atomic interlayer potential as compared to continuum elastic dislocation theory in which only elastic constants and Burgers vector are relevant. Finally, the presented methodology can also be readily used to study dislocation nucleation from the surface heterogeneities such as cracks, steps, and quantum structures of electronic devices.     

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.     

Velocity field generated by wing vibrations propagating along the surface

The velocity field generated by wing vibrations propagating along an elastic wing surface with finite velocity is studied.The gasdynamic problem is reduced to a mixed boundary-value problem with a moving boundary for the three-dimensional wave equation. The solution is obtained in closed form when the wing travels at supersonic velocity following an arbitrary law, the vibration propagation front is an arbitrary curve displacing along the wing surface, and the wing edges are supersonic.     

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

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