Modelling of the internal stress in dislocation cell structures

The nonuniform distribution of dislocations in metals gives rise to material anisotropy and internal stresses that determine the mechanical response. This paper proposes a micromechanical model of a dislocation cell structure that accounts for the material inhomogeneity and incorporates the internal stresses in a physically-based manner. A composite model is employed to describe the material with its dislocation cell structure. The internal stress is obtained as a natural result of plastic deformation incompatibility and incorporated in the composite model. Applications of this model enable the prediction of the mechanical behavior of metals under various nonuniform deformations. The implementation of the model is relatively straightforward, allowing easy use in macroscopic engineering computations.     

Overall moduli of solids with microcracks: Load-induced anisotropy

For a linearly elastic brittle solid containing microcracks that may be closed or may undergo frictional sliding, a general method is developed for estimating the overall instantaneous moduli which depend on the loading conditions. When the cracks are all open and when they are randomly distributed, then the overall response is isotropic. The moduli for this case have been obtained by Budiansky and O'C onnell (1976). On the other hand, when some cracks close, and when some closed cracks undergo frictional sliding, then the overall response becomes anisotropic and dependent on the loading conditions, as well as on the loading path. The self-consistent method is used to estimate the overall moduli. The effects of crack closure and loadinduced anisotropy are included. Several illustrative examples are worked out, showing the important influence of the load path on the overall response when crack closure and frictional sliding are involved.     

Incremental evolution of induced anisotropy

The aim of this article is to define a model that describes the evolution of the yield surface during plasticity. We propose a modelisation that is completely different from the classical approach as far as conception is concerned. It consists of describing the yield surface evolution with the help of velocity. The yield function is not directly known but is obtained by integrating a differential law starting from an initial surface. A very simple evolution law is used; the complexity of the induced anisotropy is obtained by incremental accumulation.     

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.     

Model of plastic anisotropy evolution with texture-dependent yield surface

Model of evolution of plastic anisotropy due to crystallographic texture development, in metals subjected to large deformation processes, is presented. The model of single grain with the regularized Schmid law proposed by Gambin is used. Evolution of crystallographic texture during drawing, rolling and pure shear is calculated. Phenomenological texture-dependent yield surface for polycrystalline sheets is proposed. Evolution of this yield surface is compared with evolution of phenomenological higher order yield surfaces proposed by Hill and Barlat with Lian for drawing, rolling and pure shear processes. The change of the Hill yield surface and the Barlat–Lian yield surface is obtained by replacing material parameters present in these conditions by texture-dependent functions.     

On elastic-plastic structures with associated stress-strain relations allowing for work softening

Summary For the elementary (finite or infinitesimal) constituents of the structure are assumed generalized stress-strain relations which satisfy the condition of normality but which may exhibit work-softening, concavity of yield surfaces, variation of elastic coefficients with stress and/or plastic strain.The usual phenomena of geometric instability are excluded. Sufficient conditions are formulated for overall stability in spite of the presence of unstable elements, and for uniqueness of the incremental boundary-values problem. Conditions are discussed with a view to applications and expressed in terms of positive definiteness of appropriate quadratic forms.Finally, yield surfaces and flow laws for the structure are examined, and among other things their necessary association is shown.

---

Sommario Per i costituenti elementari (finiti o infinitesimi) della struttura si assumono legami incrementali tra sforzi e deformazioni generalizzati che soddisfano alla condizione di normalità ma che per il resto sono generici, cioè tali da presentare eventualmente incrudimento negativo, concavità del campo elastico, variazione dei coefficienti elastici con gli sforzi e/o con le deformazioni plastiche.Esclusi per il sistema i fenomeni usuali di instabilità geometrica si formulano condizioni sufficienti per la stabilità del complesso nonostante la presenza di parti a funzionamento instabile, e per l'unicità del problema incrementale al contorno. Le condizioni sono discusse in vista delle applicazioni ed espresse in termini di definizione positiva di forme quadratiche opportune.Si esaminano infine le superfici di snervamento e le leggi di scorrimento per l'intera struttura e, tra l'altro, se ne dimostra la necessaria associazione.

---

---

First published in Italian in Rendiconti dell'Istituto Lombardo Classe Scienze e Lettere, A 100, 1966.The present investigation has been promoted and financed by the Consiglio Nazionale delle Ricerche (C.N.R.) at the Istituto di Scienza delle Costruzioni of the Facoltà di Architettura, Politecnico of Milano. Part of it was carried out at Brown University (Providence R. I. - U.S.A.). The author acknowledges with tanks the NATO Fellowship assigned by the C.N.R. in 1964, the encouragement and kind hospitality he received from Professor D.C. Drucker, and the interesting discussions he had with Professor Drucker and Dr. A. C. Palmer.     

Investigation of shear damage considering the evolution of anisotropy

The damage that occurs in shear deformations in view of anisotropy evolution is investigated. It is widely believed in the mechanics research community that damage (or porosity) does not evolve (increase) in shear deformations since the hydrostatic stress in shear is zero. This paper proves that the above statement can be false in large deformations of simple shear. The simulation using the proposed anisotropic ductile fracture model (macro-scale) in this study indicates that hydrostatic stress becomes nonzero and (thus) porosity evolves (increases or decreases) in the simple shear deformation of anisotropic (orthotropic) materials. The simple shear simulation using a crystal plasticity based damage model (meso-scale) shows the same physics as manifested in the above macro-scale model that porosity evolves due to the grain-to-grain interaction, i.e., due to the evolution of anisotropy. Through a series of simple shear simulations, this study investigates the effect of the evolution of anisotropy, i.e., the rotation of the orthotropic axes onto the damage (porosity) evolution. The effect of the evolutions of void orientation and void shape onto the damage (porosity) evolution is investigated as well. It is found out that the interaction among porosity, the matrix anisotropy and void orientation/shape plays a crucial role in the ductile damage of porous materials.     

On pre-straining and the evolution of material anisotropy in sheet metals

Uniaxial tension tests have been carried out along different angles from the rolling direction for both as-received and pre-strained sheet. By comparing the differences in the flow stress vs. orientation curves between the as-received and pre-strained sheets, the effect of pre-straining on material anisotropy is studied. It is demonstrated that the conventional methodology for determining material anisotropy would overestimate the pre-straining effect and would result in a completely erroneous yield surface.     

Influence of softening on fracture propagation in large-scale shell structures

In this study, fracture propagation in large shell elements is modelled with the softening law. This law is given in a general form, enabling investigations of different softening behaviours to be conducted. The final fracture is simulated by removing elements. The softening parameters are derived using the energy-based representative volume element (RVE) approach. Tracing crack propagation through the RVE defines the physically justified softening parameters for the current model. The softening model is implemented into ABAQUS using VUMAT subroutines for the shell elements. A large-scale tearing experiment is simulated with the current model and RVE-based softening parameters. In addition, the softening laws from the literature have been used. The fracture propagation is assessed in terms of plastic energy dissipation in the RVE and the whole structure, load–displacement, and crack growth. The RVE-based model is shown to have better performance compared with other models from the literature.     

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.     

The transient motion of a dislocation in a solid of general anisotropy

The transient motion of a dislocation starting from rest and moving in an arbitrary rectilinear motion in an anisotropic solid is analyzed by transform techniques and inversion according to the Cagniard-de Hoop technique.     

Modeling the evolution of crystallographic dislocation density in crystal plasticity

Dislocations are the most important material defects in crystal plasticity, and although dislocation mechanics has long been understood as the underlying physical basis for continuum crystal plasticity formulations, explicit consideration of crystallographic dislocation mechanics has been largely absent in working constitutive models. Here, dislocation density state variables evolve from initial conditions according to equations based on fundamental concepts in dislocation mechanics such as the conservation of Burgers vector in multiplication and annihilation processes. The model is implemented to investigate the polyslip behavior of single-crystal aluminum. The results not only capture the mechanical stress/strain response, but also detail the development of underlying dislocation structure responsible for the plastic behavior.     

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

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

变截面高层筒体结构的有限元线法整体稳定和二阶分析

本文用有限元线法对变截面的高层简体结构进行空间整体稳定和二阶分析。先把实际框筒结构分段连续化为正交各向异性折板结构；用有限元线法，通过有限条元半离散化，取结线上位移为基本未知函数，由势能驻值原理建立稳定和二阶分析的常微分方程组；由常微分方程求解器直接求解。     

Alloying effects on dislocation substructure evolution of aluminum alloys

The constitutive response of aluminum alloys is controlled by the evolution of dislocation substructure including mobile and forest dislocation density, cell size distribution and morphology, and misorientation angle between neighboring cells. The present study focuses upon the small strain regime and compares the measured microstructural evolution of 3003, 5005, and 6022 aluminum alloys during deformation. Room temperature tensile deformation experiments were performed on industrially manufactured specimens of each alloy and the evolving microstructure was compared with the mechanical response. The dislocation structure evolution was characterized using transmission electron microscopy and orientation imaging of deformed specimens. It was observed that structural evolution is a function of lattice orientation and the character of neighboring grains. In general, the dislocation cell size and misorientation angle between dislocation cells evolves systematically with deformation at relatively small strain levels.     

A coarse-grained model of the myofibril: Overall dynamics and the evolution of sarcomere non-uniformities

A theoretical framework for predicting the macroscopic behavior of a muscle myofibril based on the collective behavior of sarcomeres is presented. The analysis is accomplished by rigorously transforming the nonlinear dynamics of an assemblage of sarcomeres into a partial differential equation for the probability distribution function of sarcomere lengths in the presence of stochastic temporal fluctuations and biological variability. This enables the study of biologically relevant specimens with reasonable computational effort. The model is validated by a comparison to quantitative experimental results. Further, it reproduces experimental observations that cannot be explained by standard single sarcomere models, and provides new insights into muscle function and muscle damage during cyclic loading. We show that the accumulation of overstretched sarcomeres, which is related to muscle damage, depends on a delicate interplay between the dynamics of a large number of sarcomeres and the load characteristics, such as its magnitude and frequency. Further, we show that biological variability rather than stochastic fluctuations are the main source for sarcomere non-uniformities.     

Multiscale diffusion method for simulations of long-time defect evolution with application to dislocation climb

In many problems of interest to materials scientists and engineers, the evolution of crystalline extended defects (dislocations, cracks, grain boundaries, interfaces, voids, precipitates) is controlled by the flow of point defects (interstitial/substitutional atoms and/or vacancies) through the crystal into the extended defect. Precise modeling of this behavior requires fully atomistic methods in and around the extended defect, but the flow of point defects entering the defect region can be treated by coarse-grained methods. Here, a multiscale algorithm is presented to provide this coupling. Specifically, direct accelerated molecular dynamics (AMD) of extended defect evolution is coupled to a diffusing point defect concentration field that captures the long spatial and temporal scales of point defect motion in the presence of the internal stress fields generated by the evolving defect. The algorithm is applied to study vacancy absorption into an edge dislocation in aluminum where vacancy accumulation in the core leads to nucleation of a double-jog that then operates as a sink for additional vacancies; this corresponds to the initial stages of dislocation climb modeled with explicit atomistic resolution. The method is general and so can be applied to many other problems associated with nucleation, growth, and reaction due to accumulation of point defects in crystalline materials.     

Extension of the Linear Matching Method to frame structures made from a material that exhibits softening

This paper considers the problem of evaluating the maximum load that an elastic–plastic frame structure can withstand when material or element softening is present. Here we propose an extension of the Linear Matching Method to take into account material softening. The technique has two major steps: reduction of the total potential energy to obtain the solution of a linear problem and scaling of the resulting mechanism of deformation to maximize the load. Two procedures are evaluated for the second of these steps; a direct approach which simply examines how the solution evolves along a radial path in degree of freedom space, and an incremental method which takes into account how the solution might evolve along paths away from this radial line. It is demonstrated that the incremental approach is more robust and provides stable solutions for high and low levels of softening, but numerical instabilities in the procedure can occur for intermediate degrees of softening.     

Analysis of dislocation wall formation in a disclinated nanograin

Disclinations are common defects in nanocrystalline materials processed via the severe plastic deformation technique. A disclination, depending on its strength, may remain stable or partially relax into other structures such as cracks and dislocation walls. This paper develops closed-form analytical expressions for the energy of a nanograin containing a negative wedge disclination and a wall of periodic edge dislocations. Using these expressions, it is found that (1) a critical disclination strength is required for emitting dislocations and that this critical value demonstrates a strong power law dependence on the nanograin size, (2) there exists a favorable dislocation spacing, which decreases with increase in the disclination strength, in the dislocation wall formed by the emitted dislocations, and (3) the misorientation of the dislocation wall lies between 5° and 12° for disclination strength in the range of 15–35°.