Related papers: Local density approximation for the energy functio…
Plasticity is governed by the evolution of, in general anisotropic, systems of dislocations. We seek to faithfully represent this evolution in terms of density-like variables which average over the discrete dislocation microstructure.…
Dislocation systems exhibit well known scaling properties such as the Taylor relationship between flow stress and dislocation density, and the "law of similitude" linking the flow stress to the characteristic wavelength of dislocation…
We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated…
The deep energy method (DEM) has been used to solve the elastic deformation of structures with linear elasticity, hyperelasticity, and strain-gradient elasticity material models based on the principle of minimum potential energy. In this…
A three-dimensional continuum dislocation theory for single crystals containing curved dislocations is proposed. A set of governing equations and boundary conditions is derived for the true placement, plastic slips, and loop functions in…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
Over the past decades, discrete dislocation dynamics simulations have been shown to reliably predict the evolution of dislocation microstructures for micrometer-sized metallic samples. Such simulations provide insight into the governing…
Dislocation climb plays an important role in understanding plastic deformation of metallic materials at high temperature. In this paper, we present a continuum formulation for dislocation climb velocity based on densities of dislocations.…
In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…
A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which…
The packing of elastic sheets is investigated in a quasi two-dimensional experimental setup: a sheet is pulled through a rigid hole acting as a container, so that its configuration is mostly prescribed by the cross-section of the sheet in…
The review is devoted to the theory of collective and it local pinning effects in various disordered non-linear driven systems. Although the emphasis is put on charge and spin density waves and magnetic domain walls, the theory has also…
This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical…
A new energy-consistent discretization of the viscous dissipation function in incompressible flows is proposed. It is implied by choosing a discretization of the diffusive terms and a discretization of the local kinetic energy equation and…
A phenomenological model of the evolution of an ensemble of interacting dislocations in an isotropic elastic medium is formulated. The line-defect microstructure is described in terms of a spatially coarse-grained order parameter, the…
In this paper we study the twist disclination within the elastoplastic defect theory. Using the stress function method, we found exact analytical solutions for all characteristic fields of a straight twist disclination in an infinitely…
Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…
A computational approach has been developed for the analysis of the properties of 3D dislocation substructures generated by the vector density continuum dislocation dynamics (CDD), within the framework of crystal plasticity. In the CDD…
Integral expressions are determined for the elastic displacement and stress fields due to stationary or moving dislocation loops in three dimensional, not necessarily isotropic, finite samples. A line integral representation is found for…
We propose a dynamic version of the three-dimensional translation gauge theory of dislocations. In our approach, we use the notions of the dislocation density and dislocation current tensors as translational field strengths and the…