The mean free path of dislocations in nanoparticle and nanorod reinforced metal composites and implication for strengthening mechanisms

The mean free path length of dislocations plays an important role in the plastic behavior of metals, which may be significantly enhanced by the addition of nanoparticles. The effects of particle distribution pattern, particle size, shape and volume fraction on the dislocation mean free path length and average obstacle distance are analyzed in two- and three-dimensional models. As the particle volume fraction increases, the dislocation mean free path length and average distance between dislocations obstacles can be significantly reduced, implying enhancement of strength. The random particle distribution exhibits the best combination of dislocation mean free path length and average obstacle distance. In addition, both dislocation mean free path and average obstacle distance can be significantly reduced by changing the particle shape from nanosphere to nanorod. The present analysis may provide useful information for designing the particle enforced composite materials.     

基于物理变量的热粘塑性本构模型

在位错的运动和产生与塑性变形的一般关系及考虑到热激活与粘性阻尼效应的位错集体运动的统一理论基础上，通过对结构参量的演化规律的具体建议，提出了一种基于物理变量的热粘塑性本构模型。在此模型的基础上，讨论了金属材料动态力学行为的微观机理。     

An atomistically-informed dislocation dynamics model for the plastic anisotropy and tension-compression asymmetry of BCC metals

Atomistic simulations have shown that a screw dislocation in body-centered cubic (BCC) metals has a complex non-planar atomic core structure. The configuration of this core controls their motion and is affected not only by the usual resolved shear stress on the dislocation, but also by non-driving stress components. Consequences of the latter are referred to as non-Schmid effects. These atomic and micro-scale effects are the reason slip characteristics in deforming single and polycrystalline BCC metals are extremely sensitive to the direction and sense of the applied load. In this paper, we develop a three-dimensional discrete dislocation dynamics (DD) simulation model to understand the relationship between individual dislocation glide behavior and macro-scale plastic slip behavior in single crystal BCC Ta. For the first time, it is shown that non-Schmid effects on screw dislocations of both {110} and {112} slip systems must be implemented into the DD models in order to predict the strong plastic anisotropy and tension-compression asymmetry experimentally observed in the stress-strain curves of single crystal Ta. Incorporation of fundamental atomistic information is critical for developing a physics-based, predictive meso-scale DD simulation tool that can connect length/time scales and investigate the underlying mechanisms governing the deformation of BCC metals.     

Strain hardening in 2D discrete dislocation dynamics simulations: A new ‘2.5D’ algorithm

The two-dimensional discrete dislocation dynamics (2D DD) method, consisting of parallel straight edge dislocations gliding on independent slip systems in a plane strain model of a crystal, is often used to study complicated boundary value problems in crystal plasticity. However, the absence of truly three dimensional mechanisms such as junction formation means that forest hardening cannot be modeled, unless additional so-called ‘2.5D’ constitutive rules are prescribed for short-range dislocation interactions. Here, results from three dimensional dislocation dynamics (3D DD) simulations in an FCC material are used to define new constitutive rules for short-range interactions and junction formation between dislocations on intersecting slip systems in 2D. The mutual strengthening effect of junctions on preexisting obstacles, such as precipitates or grain boundaries, is also accounted for in the model. The new ‘2.5D’ DD model, with no arbitrary adjustable parameters beyond those obtained from lower scale simulation methods, is shown to predict athermal hardening rates, differences in flow behavior for single and multiple slip, and latent hardening ratios. All these phenomena are well-established in the plasticity of crystals and quantitative results predicted by the model are in good agreement with experimental observations.     

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.     

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.     

A micromechanical model of hardening, rate sensitivity and thermal softening in BCC single crystals

The present paper is concerned with the development of a micromechanical model of the hardening, rate-sensitivity and thermal softening of bcc crystals. In formulating the model, we specifically consider the following unit processes: double-kink formation and thermally activated motion of kinks; the close-range interactions between primary and forest dislocations, leading to the formation of jogs; the percolation motion of dislocations through a random array of forest dislocations introducing short-range obstacles of different strengths; dislocation multiplication due to breeding by double cross-slip; and dislocation pair annihilation. The model is found to capture salient features of the behavior of Ta crystals such as: the dependence of the initial yield point on temperature and strain rate; the presence of a marked stage I of easy glide, specially at low temperatures and high strain rates; the sharp onset of stage II hardening and its tendency to shift towards lower strains, and eventually disappear, as the temperature increases or the strain rate decreases; the parabolic stage II hardening at low strain rates or high temperatures; the stage II softening at high strain rates or low temperatures; the trend towards saturation at high strains; the temperature and strain-rate dependence of the saturation stress; and the orientation dependence of the hardening rate.     

Atomistically informed dislocation dynamics in fcc crystals

We develop a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions, and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently, with all material parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our findings to the plastic behavior of monocrystalline fcc metals.     

Elastic precursor decay and radiation from nonuniformly moving dislocations

Precursor decay in plate impact experiments on single crystals is re-examined from the viewpoint of the elastodynamics of moving dislocations. Superposition of solutions for many dislocations set in motion by an incident plane wave is used to relate the decay of the wave amplitude at the front of the plane wave to the density and velocity of dislocations at the wavefront. The resulting precursor decay relation is the same as the one derived from an elastic/visco-plastic model of the material, except for a small correction due to differences between the effects of forward and backward propagating dislocations. Motivated by this added support for the validity of the precursor decay equation, the values used for the quantities in this equation are re-examined. Recent experimental results and the elastodynamics analysis are interpreted as indicating that the commonly-used values of dislocation velocity are probably satisfactory, but that the values used for dislocation density are several orders of magnitude too small near the lapped surfaces of the crystal. These large dislocation densities are identified as the probable dominant cause of the lower-than-predicted precursor amplitudes that are recorded in experiments. More accurate experimental data and inclusion of the non-linear elasticity effects are essential in determining whether or not the observed precursor decay in the bulk of the specimen can be explained by the motion of dislocations present initially. Calculations of energy radiated from screw and edge dislocations that start from rest and move thereafter at constant velocity confirm that dislocation drag forces due to continuum elasticity effects are small for dislocation velocities less than, say, 80% of the elastic shear wave speed. At supersonic speeds the continuum drag effects become so large that sustained supersonic motion of dislocations appears unlikely.     

Oscillations of the plastic wave front under high‐rate loading

Two models of elastoplastic wave propagation in metals under uniaxial deformation are considered. The first model treats plastic deformation as being due to dislocation motion during heterogeneous formation of dislocations. The second model assumes that plastic deformation occurs by motion of dipoles of partial disclinations. It is shown that in both cases, certain conditions can give rise to damped oscillations of the plastic wave front, which were detected in shock loading experiments with flat specimens made of 28Kh3SNMFA steel.     

Effect of source and obstacle strengths on yield stress: A discrete dislocation study

The combined effect of dislocation source strength τ_s, dislocation obstacle strength τ_obs, and obstacle spacing L_obs on the yield stress of single crystal metals is investigated analytically and numerically. A continuum theory of dislocation pileups emanating from a finite-strength source and impinging on asymmetric obstacles gives a closed-form expression for the yield stress. A 2d discrete dislocation model for a single-source/obstacle problem agrees well with the analytic model over a wide range of material parameters. Discrete dislocation simulations for a full tensile bar with statistically distributed sources and obstacles show that the distribution of obstacles plays a significant role in controlling the yield stress. Over a wide range of parameters, the simulations agree well with the analytic model using an effective obstacle spacing L_obs^* chosen to capture the strength-controlling statistically weaker pileup configurations. The analytic model can thus be used to guide the choice of source and obstacle parameters to obtain a desired yield stress. The model also shows how different combinations of internal source and obstacle parameters can generate the same macroscopic yield stress, and points to several internal length scales that could relate to size-dependent plasticity phenomena.     

A dislocation mechanics-based crystallographic model of a B2-type intermetallic alloy

A crystallographic slip based model for cubic oriented NiAl single crystals is derived from an idealization of the dislocation network observed in the active slip systems, viz. {110} 〈110〉. The crystallographic model successfully accounts for the cyclic steady-state behaviour of crystals subjected to strain histories within the range ϵ_〈100〉 = ϵ_m ± 0.5%, for ϵ_m = 0 and 35%, at 750 and 850°C. It accurately predicts the flow stress dependence on temperature, strain rate and dislocation density arising from the lattice resistance to dislocation motion and from discrete obstacle resistance due to dislocation interactions. The kinematic and isotropic hardening modes associated with defect trails left behind by gliding dislocations and dislocation storage, respectively, are properly represented. The average distance that dislocations have to glide for their density to increase beyond the level needed to balance dynamic recovery processes was predicted to be approximately 260 times the random forest dislocation spacing. Measured dislocation densities at different mean strains were found to be consistent with the predictions of the theoretical model.     

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.     

Tensile response of passivated films with climb-assisted dislocation glide

The tensile response of single crystal films passivated on two sides is analysed using climb enabled discrete dislocation plasticity. Plastic deformation is modelled through the motion of edge dislocations in an elastic solid with a lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and dislocation annihilation incorporated through a set of constitutive rules. The dislocation motion in the films is by glide-only or by climb-assisted glide whereas in the surface passivation layers dislocation motion occurs by glide-only and penalized by a friction stress. For realistic values of the friction stress, the size dependence of the flow strength of the oxidised films was mainly a geometrical effect resulting from the fact that the ratio of the oxide layer thickness to film thickness increases with decreasing film thickness. However, if the passivation layer was modelled as impenetrable, i.e. an infinite friction stress, the plastic hardening rate of the films increases with decreasing film thickness even for geometrically self-similar specimens. This size dependence is an intrinsic material size effect that occurs because the dislocation pile-up lengths become on the order of the film thickness. Counter-intuitively, the films have a higher flow strength when dislocation motion is driven by climb-assisted glide compared to the case when dislocation motion is glide-only. This occurs because dislocation climb breaks up the dislocation pile-ups that aid dislocations to penetrate the passivation layers. The results also show that the Bauschinger effect in passivated thin films is stronger when dislocation motion is climb-assisted compared to films wherein dislocation motion is by glide-only.     

THE DISLOC ATION EQU ATIONS OF A SIMPLE CUBIC CRYSTAL IN THE ISOTROPIC APPROXIMATION-A SOLVABLE MODEL

The dislocation equations of a simple cubic lattice have been obtained by using Green's function method based on the discrete lattice theory with the coefficients of the secondorder differential terms ...     

Studying the effect of grain boundaries in dislocation density based crystal-plasticity finite element simulations

A dislocation density based constitutive model for the face centered cubic crystal structure has been implemented into a crystal-plasticity finite element framework and extended to consider the mechanical interaction between mobile dislocations and grain boundaries by the authors [Ma, A., Roters, F., Raabe, D., 2006a. A dislocation density based constitutive model for crystal-plasticity FEM including geometrically necessary dislocations. Acta Materialia 54, 2169–2179; Ma, A., Roters, F., Raabe, D., 2006b. On the consideration of interactions between dislocations and grain boundaries in crystal-plasticity finite element modeling – theory, experiments, and simulations. Acta Materialia 54, 2181–2194]. The approach to model the grain boundary resistance against slip is based on the introduction of an additional activation energy into the rate equation for mobile dislocations in the vicinity of internal interfaces. This energy barrier is derived from the assumption of thermally activated dislocation penetration events through grain boundaries. The model takes full account of the geometry of the grain boundaries and of the Schmid factors of the critically stressed incoming and outgoing slip systems. In this study we focus on the influence of the one remaining model parameter which can be used to scale the obstacle strength of the grain boundary.     

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.     

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.     

Free energy of dislocations in a multi-slip geometry

The collective dynamics of dislocations is the underlying mechanism of plastic deformation in metallic crystals. Dislocation motion in metals generally occurs on multiple slip systems. The simultaneous activation of different slip systems plays a crucial role in crystal plasticity models. In this contribution, we study the energetic interactions between dislocations on different slip systems by deriving the free energy in a multi-slip geometry. In this, we restrict ourselves to straight and parallel edge dislocations. The obtained free energy has a long-range mean-field contribution, a statistical contribution and a many-body contribution. The many-body contribution is a local function of the total dislocation density on each slip system, and can therefore not be written in terms of the net dislocation density only. Moreover, this function is a strongly non-linear and non-convex function of the density on different slip systems, and hence the coupling between slip systems is of great importance.