This paper verifies two laws for plastic flows of face-centered cubic crystals that deform at constant strain rates and fixed ambient temperatures. The first law relates steady-state flow stress to ambient temperature and strain rate. The second law requires an increase of configurational entropy towards a maximum reached in the steady state. The large scale least squares analysis is provided which allows the physics-based parameters of thermodynamic dislocation theory to be identified in accordance with these laws.
We present a dislocation density-based strain hardening model for single crystal copper through a systematic coarse-graining analysis of more than 200 discrete dislocation dynamics (DDD) simulations of plastic deformation under uniaxial tension. The proposed constitutive model has two components: a generalized Taylor relation connecting resolved shear stresses to dislocation densities on individual slip systems, and a generalized Kocks-Mecking model for dislocation multiplication. The DDD data strongly suggests a logarithmic dependence of flow stress on the plastic shear strain rate on each sl…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their fitting parameters. In this paper, we employ discrete dislocation dynamics to establish a continuum-based model for the evolution of the dislocation structure in polycrystalline thin films. Expressions are developed for the density of activated dislocation sources, as well as dislocation nucleation and annihilation rates. We demonstrate how size effect naturally…
The theory of dislocation mediated plastic flow proposed by Langer, Bouchbinder, and Lookman is applied to compute the stress-strain curve of aluminum and aluminum alloys over a wide range of temperatures and strain rates. The comparison with experiment shows excellent agreement.
Here we present a model to study the micro-plastic regime of a stress-strain curve. In this model an explicit dislocation population represents the mobile dislocation content and an internal shear-stress field represents a mean-field description of the immobile dislocation content. The mobile dislocations are constrained to a simple dipolar mat geometry and modelled via a dislocation dynamics algorithm, whilst the shear-stress field is chosen to be a sinusoidal function of distance along the mat direction. The latter, defined by a periodic length and a shear-stress amplitude, represents a pre-…
Microcrystals deform very differently from their macroscopic counterparts, displaying a size-dependent yield stress and intermittent plastic strain bursts. Here we demonstrate that size effects and strain bursts may be just two different signatures of fundamental collective phenomena that govern the dynamics of dislocation systems on all scales. We confirm this conjecture by demonstrating agreement between the results of 2D and 3D dislocation dynamics simulations and experimental results on compressed micropillars. Our results indicate that many peculiarities of small-sample plasticity may ari…
The present paper extends the thermodynamic dislocation theory developed by Langer, Bouchbinder, and Lookmann to non-uniform plastic deformations. The free energy density as well as the positive definite dissipation function are proposed. The governing equations are derived from the variational equation. As illustration, the problem of plane strain constrained shear of single crystal deforming in single slip is solved within the proposed theory.
The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory follo…
The statistics and origin of the first discrete plastic event in a one dislocation dynamics simulation are studied. This is done via a linear stability analysis of the evolving dislocation configuration up to the onset of irreversible plasticity. It is found, via a fold catastrophe, the dislocation configuration prior to loading directly determines the stress at which the plastic event occurs and that between one and two trigger dislocations are involved. The resulting irreversible plastic strain arising from the instability is found to be highly correlated with these triggering dislocations.
Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its ra…
It is well known that diamond does not deform plastically at room temperature and usually fails in catastrophic brittle fracture. Here we demonstrate room-temperature dislocation plasticity in sub-micrometer sized diamond pillars by in-situ mechanical testing in the transmission electron microscope. We document in unprecedented details of spatio-temporal features of the dislocations introduced by the confinement-free compression, including dislocation generation and propagation. Atom-resolved observations with tomographic reconstructions show unequivocally that mixed-type dislocations with Bur…
We develop a model for the gliding of dislocations and plasticity in solid He-4. This model takes into account the Peierls barrier, multiplication and interaction of dislocations, as well as classical thermally and mechanically activated processes leading to dislocation glide. We specifically examine the dc stress-strain curve and how it is affected by temperature, strain rate, and dislocation density. As a function of temperature and shear strain, we observe plastic deformation and discuss how this may be related to the experimental observation of elastic anomalies in solid hcp He-4 that have…
The present paper studies non-uniform plastic deformations of crystals undergoing anti-plane constrained shear. The asymptotically exact energy density of crystals containing a moderately large density of excess dislocations is found by the averaging procedure. This energy density is extrapolated to the cases of extremely small or large dislocation densities. By incorporating the configurational temperature and the density of redundant dislocations, we develop the thermodynamic dislocation theory for non-uniform plastic deformations and use it to predict the stress-strain curves and the disloc…
Molecular dynamics (MD) is employed to investigate the plastic deformation mechanisms of single crystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars under uniaxial compression. Simulation results show that the nanoscale plastic deformation of YSTZ is strongly dependent on the crystallographic orientation of zirconia nanopillars. For the first time, the experimental explored tetragonal to monoclinic phase transformation is reproduced by MD simulations in some particular loading directions. Three distinct mechanisms of dislocation, phase transformation, and a combination of dislo…
This work introduces a model for large-strain, geometrically nonlinear elasto-plastic dynamics in single crystals. The key feature of our model is that the plastic dynamics are entirely driven by the movement of dislocations, that is, $1$-dimensional topological defects in the crystal lattice. It is well known that glide motion of dislocations is the dominant microscopic mechanism for plastic deformation in many crystalline materials, most notably in metals. We propose a novel geometric language, built on the concepts of space-time "slip trajectories" and the "crystal scaffold" to describe the…
Despite decades of extensive research on mechanical properties of diamond, much remains to be understood in term of plastic deformation mechanisms due to the poor deformability at room temperature. In a recent work in Advanced Materials, it was claimed that room-temperature plasticity occurred in <001>-oriented single-crystal diamond nanopillars based on observation of unrecovered deformation inside scanning electron microscope. The plastic deformation was suggested to be mediated by a phase transition from sp3 carbon to an O8-carbon phase by molecular dynamics simulations. By comparison, our …
A consistent, small scale description of plastic motion in a crystalline solid is presented based on a phase field description. By allowing for independent mass motion given by the phase field, and lattice distortion, the solid can remain in mechanical equilibrium on the timescale of plastic motion. Singular (incompatible) strains are determined by the phase field, to which smooth distortions are added to satisfy mechanical equilibrium. A numerical implementation of the model is presented, and used to study a benchmark problem: the motion of an edge dislocation dipole in a hexagonal lattice. T…
Phase-field simulations of the martensitic transformation (MT) in the austenitic matrix, which has already undergone the plastic deformation, are carried out. For this purpose the elasto-plastic phase-field approach of incoherent MT developed in the previous work [Kundin et. al. J. Mech. and Phys. Solids 59 (2011) 2012] is used. The evolution equation for the dislocation density field is extended by taking into account the thermal and athermal annihilation of the dislocations in the austenitic matrix and the athermal annihilation at the transformation front. It is shown that the plastic deform…
This work proposes a dislocation density-based strain gradient $J_2$ plasticity framework that models the strength contribution due to Geometrically Necessary Dislocations (GNDs) using a lower order, Taylor hardening backstress model. An anisotropy factor is introduced to phenomenologically represent the differential hardening between grains in this $J_2$ plasticity framework. An implicit numerical algorithm is implemented for the time integration of the finite deformation plasticity model. The framework is first used to predict directional hardening due to the GND-induced backstress during cy…
Enabling plastic co-deformation of disparate phases in a laser rapid solidified Sr-modified Al-Si eutectic through partial-dislocation-mediated-plasticity in Si
Three-dimensional discrete dislocation dynamics simulations are used to study strain-controlled plastic deformation of face-centered cubic aluminium single crystals. After describing the rate and size dependence of the average stress-strain curves, we study the power-law distributed strain bursts and the average avalanche shapes, and find a universal power-law exponent $τ\approx 1.0$ for all imposed strain rates and system sizes, characterizing both the event sizes and their durations. We discuss the dependence of our results on loading rate and compare these with previous studies of strain-co…
In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals. By analyzing the stress-strain curves of samples with an initial, axial dislocation density gradient, we arrive at the following conclusions: (i) in the regime of quasi-elastic deformation before the onset of plastic flow, the effective elastic modulus of the simulated samples falls significantly below the value for a dislocation-free crystal. This modulus …
A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy and show that it obeys the stress strain relation of linear elasticity. Dislocations in a two dimensional hexagonal lattice are shown to be composite topological defects in the amplitude expansion of the phase field, with topological charges given by the Burgers vector. This allows us to introduce a formal relation between dislocation velocity and the evolu…
Plastic deformation in microscale differs from the macroscopic plasticity in two respects: (i) the flow stress of small samples depends on their size (ii) the scatter of plasticity increases significantly. In this work we focus on the scatter of plasticity. We statistically characterize the deformation process of micropillars under tension using results from discrete dislocation dynamics (DDD) simulations. We then propose a stochastic microplasticity model which uses the extracted information from the above statistical characterization to make statistical predictions regarding the micropillar …
Based on the atomistic studies presented in Part I we develop analytical yield criteria for single crystals that capture the effect of shear stresses other than the Schmid stress (non-glide stresses) on the shear stress needed for dislocation glide (Peierls stress). These yield criteria characterize a non-associated plastic flow that originates owing to the complex response of 1/2<111> screw dislocations to an applied stress tensor. Employing these criteria we identify the operative slip systems for tensile/compressive loading along various axes within the standard stereographic triangle and d…
Plastic deformation of metals involves the complex evolution of dislocations forming strongly connected dislocation networks. These dislocation networks are based on dislocation reactions, which can form junctions during the interactions of different slip systems. Extracting the fundamentals of the network behaviour during plastic deformation by adequate physically based theories is essential for crystal plasticity models. In this work, we demonstrate how knowledge from discrete dislocation dynamics simulations to continuum-based formulations can be transferred by applying a physically based d…
Owing to their non-planar cores 1/2<111> screw dislocations govern the plastic deformation of BCC metals. Atomistic studies of the glide of these dislocations at 0 K have been performed using Bond Order Potentials for molybdenum and tungsten that account for the mixed metallic and covalent bonding in transition metals. When applying pure shear stress in the slip direction it displays significant twinning-antitwinning asymmetry for molybdenum but not for tungsten. However, for tensile/compressive loading the Schmid law breaks down in both metals, principally due to the effect of shear stresses …
Structural transitions are invariably affected by lattice distortions. If the body is to remain crack-free, the strain field cannot be arbitrary but has to satisfy the Saint-Venant compatibility constraint. Equivalently, an incompatibility constraint consistent with the actual dislocation network has to be satisfied in media with dislocations. This constraint can be incorporated into strain-based free energy functionals to study the influence of dislocations on phase stability. We provide a systematic analysis of this constraint in three dimensions and show how three incompatibility equations …
Recently, mechanical tests on ice as well as dislocation dynamics simulations have revealed that plastic flow displays a scale-free intermittent dynamics characterized by dislocation avalanches with a power law distribution of amplitudes. To further explore the complexity of dislocation dynamics during plastic flow, we present a statistical analysis of dislocation avalanche correlations and avalanche triggering. It is shown that the rate of avalanche triggering immediately after any avalanche is larger than the background activity due to uncorrelated events. This self-induced triggering increa…
The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role in the formation of large curved boundaries, and, as a consequence, in the formation of fine grains. Alternation of elastic and inelastic strain stages is established too. At shear loading, in view of special kinetics, the system would have to accumulate the whole set of dislocations leading to the formation of new boundaries and fine grains.
Results of recent large-scale molecular dynamics simulations of dislocation-mediated solid plasticity are campared with predictions of the statistical thermodynamic theory of these phenomena. These computational and theoretical analyses are in substantial agreement with each other in both their descriptions of strain-rate dependent steady plastic flow and of a transient stress peak associated with initially small densities of dislocations. The comparisons between the numerical simulations and basic theory reveal inconsistencies in some conventional phenomenological descriptions of solid plasti…
Dislocations are the main carriers of plastic deformation in crystalline materials. Physically based constitutive equations of crystal plasticity typically incorporate dislocation mechanisms, using a dislocation density based description of dislocation microstructure evolution and plastic flow. Typically, such constitutive models are not formulated in a thermodynamic framework. Nevertheless, fundamental considerations of thermodynamic consistency impose constraints on the admissible range of model parameters and/or on the range of application of such models. In particular, it is mandatory to e…
A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic response of both single crystal and poly crystalline aluminum. The calculated results are in good agreement with experimental results from not only the velocity profiles but also the shear strength and dislocation density, which demonstrates the accuracy of our simulations. Simulated results indicate that dislocation immobilization during dynamic deformation result…
Plastic inhomogeneity, particularly localised strain, is one of the main mechanisms responsible for failures in engineering alloys. This work studied the spatial arrangement and distribution of microstructure and their influence in the plastic inhomogeneity of Inconel 718 fabricated by additive manufacturing (AM). In particular, the density and spatial distribution of geometrically necessary dislocations (GNDs) and the crystallographic texture components were examined in relation to the spatial plastic deformation. In-situ tensile testing coupled with microscopy and EBSD was performed to under…
Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations. Dislocation number fluctuations exhibit a power-law spectral density $1/f^2$ at high frequencies $f$. The probability distribution of number fluctuations becomes bimodal at low driving rates corresponding to a scenario where low density of defects alternate at irregular times with high population of defects.…
It has recently become popular to analyze the behavior of excess dislocations in plastic deformation under the assumption that such dislocations are arranged into walls with periodic dislocation spacing along the wall direction. This assumption is made plausible by the fact that periodic walls represent minimum energy arrangements for dislocations of the same sign, and it allows to use the analytically known short-ranged stress fields of such walls for analyzing the structure of plastic boundary layers. Here we show that unfortunately both the idea that dislocation walls are low-energy configu…
The critical dynamics of dislocation avalanches in plastic flow is examined using a phase field crystal (PFC) model. In the model, dislocations are naturally created, without any \textit{ad hoc} creation rules, by applying a shearing force to the perfectly periodic ground state. These dislocations diffuse, interact and annihilate with one another, forming avalanche events. By data collapsing the event energy probability density function for different shearing rates, a connection to interface depinning dynamics is confirmed. The relevant critical exponents agree with mean field theory predictio…
Computational analysis of short-range interactions between an edge dislocation and an array of equally-spaced identical shearable or non-shearable precipitates
Through the combination of transmission electron microscopy analysis of the deformed microstructure and molecular dynamics computer simulations of the deformation processes, the mechanisms of plastic strain recovery in bulk AgCu eutectic with either incoherent twin or cube-on-cube interfaces between the Ag and Cu layers and a bilayer thickness of 500 nm have been revealed. The character of the incoherent twin interfaces changed uniquely after dynamic compressive loading for samples that exhibited plastic strain recovery and was found to drive the recovery, which is due to dislocation retractio…
Dislocation slip is a general deformation mode and governs the strength of metals. Via discrete dislocation dynamics and molecular dynamics simulations, we investigate the strain rate and dislocation density dependence of the strength of bulk copper single crystals using 192 simulations spanning over 10 orders of magnitude in strain rate and 9 orders of magnitude in dislocation density. Based on these large set of simulations and theoretical analysis, a new analytical relationship between material strength, dislocation density, strain rate and dislocation mobility is proposed, which is in exce…
Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the mesoscale, which lies at a critical position between two very different scales. At small scale, atomistic simulations are particularly adapted to investigate the core structure or mobility of individual dislocations, while continuous approaches can simulate the complete and continuous mechanical behaviour at the scale of the components. the purpose of DDD is to s…
The spontaneous emergence of heterogeneous dislocation patterns is a conspicuous feature of plastic deformation and strain hardening of crystalline solids. Despite long-standing efforts in the materials science and physics of defect communities, there is no general consensus regarding the physical mechanism which leads to the formation of dislocation patterns. In order to establish the fundamental mechanism, we formulate an extremely simplified, minimal model to investigate the formation of patterns based on the continuum theory of fluxes of curved dislocations. We demonstrate that strain hard…
We present a framework which unifies classical phenomenological $J_2$ and crystal plasticity theories with quantitative dislocation mechanics. The theory allows the computation of stress fields of arbitrary dislocation distributions and, coupled with minimally modified classical ($J_2$ and crystal plasticity) models for the plastic strain rate of statistical dislocations, results in a versatile model of finite deformation mesoscale plasticity. We demonstrate some capabilities of the framework by solving two outstanding challenge problems in mesoscale plasticity: 1) recover the experimentally o…
Micron-scale single crystalline materials deform plastically via large intermittent strain bursts that make the deformation process unpredictable. Here we investigate this stochastic phenomenon by analysing the plastic response of an ensemble of specimens differing only in the initial arrangement of dislocations. We apply discrete dislocation dynamics simulations and microcompression tests on identically fabricated Cu single crystalline micropillars. We find that a characteristic yield stress can be defined in the average sense for a given specimen ensemble, where the average and the variance …
Electroplasticity is defined as the reduction in flow stress of a material undergoing deformation on passing an electrical pulse through it. The lowering of flow stress during electrical pulsing has been attributed to a combination of three mechanisms: softening due to Joule-heating of the material, de-pinning of dislocations from paramagnetic obstacles, and the electron-wind force acting on dislocations. However, there is no consensus in literature regarding the relative magnitudes of the reductions in flow stress resulting from each of these mechanisms. In this paper, we extend a dislocation…
The two-phase composite approach of Estrin et al. (1998) describes an evolving dislocation cell structure. Mckenzie et al. (2007) enhanced the model to capture the effects of hydrostatic pressure and temperature during severe plastic deformation. The goal of the present study is to incorporate this microstructural model into the macroscopic viscoplasticity framework proposed by Shutov and Kreißig (2008a). Thereby, the two-phase composite approach is examined carefully. Both physical and numerical drawbacks are revealed and possible solutions are presented, thus leading to a refined micro model…
Intermittent plastic deformation in crystals with power-law behaviors has been reported in previous experimental studies. The power-law behavior is reminiscent of self-organized criticality, and mesoscopic models have been proposed that describe this behavior in crystals. In this letter, we show that intermittent plasticity in metals under tensile deformation can be observed in molecular dynamics models, using embedded atom method potentials for Ni, Cu, and Al. Power-law behaviors of stress drop and waiting time of plastic deformation events are observed. It is shown that power-law behavior is…
