Modeling of Dislocation Structures in Materials

Plastic deformation of crystals is a physical phenomenon, which has immensely driven the development of human civilisation since the onset of the Chalcolithic period. This process is primarily governed by the motion of line defects, called dislocations. Each dislocation traps a quantum of plastic deformation expressible in terms of its Burgers vector[1,2]. Theorising the mechanisms of dislocation motion at the atomistic scales of length and time remains a challenging task on ...

Crystal plasticity is the result of the motion and interaction of dislocations. There is, however, still a major gap between microscopic and mesoscopic simulations and continuum crystal plasticity models. Only recently a higher dimensional dislocation density tensor was defined which overcomes some drawbacks of earlier dislocation density measures. The evolution equation for this tensor can be considered as a continuum version of dislocation dynamics. We use this evolution eq...

In this paper, starting from the microscopic dynamics of isolated dislocations, we explain how to derive formally mean field models for the dynamics of dislocation densities. Essentially these models are tranport equations, coupled with the equations of elasticity. Rigorous results of existence of solutions are presented for some of these models and the main ideas of the proofs are given.

We introduce a dislocation density tensor and derive its kinematic evolution law from a phase field description of crystal deformations in three dimensions. The phase field crystal (PFC) model is used to define the lattice distortion, including topological singularities, and the associated configurational stresses. We derive an exact expression for the velocity of dislocation line determined by the phase field evolution, and show that dislocation motion in the PFC is driven b...

We study dislocation networks in the plane using the vectorial phase-field model introduced by Ortiz and coworkers, in the limit of small lattice spacing. We show that, in a scaling regime where the total length of the dislocations is large, the phase field model reduces to a simpler model of the strain-gradient type. The limiting model contains a term describing the three-dimensional elastic energy and a strain-gradient term describing the energy of the geometrically necessa...

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 t...

This work addresses differences in predicted elastic fields created by dislocations either by the Phase Field Crystal (PFC) model, or by static Field Dislocation Mechanics (FDM). The PFC order parameter describes the topological content of the lattice, but it fails to correctly capture the elastic distortion. In contrast, static FDM correctly captures the latter but requires input about defect cores. The case of a dislocation dipole in two dimensional, isotropic, elastic medi...

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 nove...

Uniqueness of solutions in the linear theory of non-singular dislocations, studied as a special case of plasticity theory, is examined. The status of the classical, singular Volterra dislocation problem as a limit of plasticity problems is illustrated by a specific example that clarifies the use of the plasticity formulation in the study of classical dislocation theory. Stationary, quasi-static, and dynamical problems for continuous dislocation distributions are investigated ...

Dissipative models for the quasi-static and dynamic response due to slip in an elastic body containing a single slip plane of vanishing thickness are developed. Discrete dislocations with continuously distributed cores can glide on this plane, and the models are developed as special cases of a fully three-dimensional theory of plasticity induced by dislocation motion. The reduced models are compared and contrasted with the augmented Peierls model of dislocation dynamics. A pr...