Related papers: A model for the interaction of dislocations with p…
Fatigue simulation requires accurate modeling of unloading and reloading. However, classical ductile damage models treat deformations after complete failure as irrecoverable -- which leads to unphysical behavior during unloading. This…
This work rigorously implements a recent model of large-strain elasto-plastic evolution in single crystals where the plastic flow is driven by the movement of discrete dislocation lines. The model is geometrically and elastically nonlinear,…
We present a variational theory for lattice defects of rotational and translational type. We focus on finite systems of planar wedge disclinations, disclination dipoles, and edge dislocations, which we model as the solutions to minimum…
Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…
The plasticity transition at the yield strength of a crystal typically signifies the tendency of dislocation defects towards relatively unrestricted motion. For an isolated dislocation the motion is in the slip plane with velocity…
We derive a strain-gradient theory for plasticity as the $\Gamma$-limit of discrete dislocation fractional energies, without the introduction of a core-radius. By using the finite horizon fractional gradient introduced by Bellido, Cueto,…
A variational approach is presented to calculate the stress field generated by a system of dislocations. It is shown that in the simplest case, when the material containing the dislocations obeys Hooke's law the variational framework gives…
Creep in single crystal Nickel-based superalloys has been a topic of interest since decades, and nowadays simulations are more and more able to complement experiments. In these alloys, the $\gamma/\gamma'$ phase microstructure co-evolves…
We consider the gradient flow evolution of a phase-field model for crystal dislocations in a single slip system in the presence of forest dislocations. The model consists of a Peierls-Nabarro type energy penalizing non-integer slip and…
We present a gradient-based theoretical framework for predicting hydrogen assisted fracture in elastic-plastic solids. The novelty of the model lies in the combination of: (i) stress-assisted diffusion of solute species, (ii) strain…
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…
In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent)…
Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanisms driving HE often relies on simulations and…
This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…
Ductile damage models and cohesive laws incorporate the material plasticity entailing the growth of irrecoverable deformations even after complete failure. This unrealistic growth remains concealed until the unilateral effects arising from…
Cellular patterns formed by self-organization of dislocations are a most conspicuous feature of dislocation microstructure evolution during plastic deformation. To elucidate the physical mechanisms underlying dislocation cell structure…
Coarse-grained descriptions of dislocation motion in crystalline metals inherently represent a loss of information regarding dislocation-dislocation interactions. In the present work, we consider a coarse-graining framework capable of…
The strength of the lithosphere is typically modelled based on constitutive equations for steady-state flow. However, models of lithospheric flexure reveal differences in lithospheric strength that are difficult to reconcile based on such…
We use a real-space formulation of orbital-free DFT to study the core energetics and core structure of an isolated screw dislocation in Aluminum. Using a direct energetics based approach, we estimate the core size of a perfect screw…
A novel model based on the Peierls framework of dislocations is developed. The new theory can deal with a dislocation spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction process of two fcc…