Related papers: Local density approximation for the energy functio…
In this paper we derive a line tension model for dislocations in 3d starting from a geometrically nonlinear elastic energy with quadratic growth. In the asymptotic analysis, as the amplitude of the Burgers vectors (proportional to the…
The action functional for a linear elastic medium with dislocations is given. The equations of motion following from this action reproduce the Peach-K\"{o}hler and Lorentzian forces experienced by dislocations. The explicit expressions for…
We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…
In this paper, we deduce a macroscopic strain gradient theory for plasticity from a model of discrete dislocations. We restrict our analysis to the case of a cylindrical symmetry for the crystal in exam, so that the mathematical formulation…
Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…
The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far…
Progress toward a first-principles theory of plasticity and work-hardening is currently impeded by an insufficient picture of dislocation kinetics (the dynamic effect of driving forces in a given dislocation theory). This is because present…
We consider a discrete model of planar elasticity where the particles, in the reference configuration, sit on a regular triangular lattice and interact through nearest neighbor pairwise potentials, with bonds modeled as linearized elastic…
In the modeling of dislocations one is lead naturally to energies concentrated on lines, where the integrand depends on the orientation and on the Burgers vector of the dislocation, which belongs to a discrete lattice. The dislocations may…
We use three-dimensional discrete dislocation dynamics simulations (DDD) to study the evolution of interfacial dislocation network (IDN) in particle-strengthened alloy systems subjected to constant stress at high temperatures. We have…
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…
We propose nonlinear semi-discrete and discrete models for the elastic energy induced by a finite systems of edge dislocations in two dimensions. Within the dilute regime, we analyze the asymptotic behavior of the nonlinear elastic energy,…
Continuum models of dislocation plasticity require constitutive closure assumptions, e.g., by relating details of the dislocation microstructure to energy densities. Currently, there is no systematic way for deriving or extracting such…
We report a local, weight-dependent correlation density-functional approximation that incorporates information about both ground and excited states in the context of density-functional theory for ensembles (eDFT). This density-functional…
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…
We study the relaxation dynamics of systems of straight, parallel crystal dislocations, starting from initially random and uncorrelated positions of the individual dislocations. A scaling model of the relaxation process is constructed by…
We derive an expression of the core traction contribution to the dislocation elastic energy within linear anisotropic elasticity theory using the sextic formalism. With this contribution, the elastic energy is a state variable consistent…
Due to recent successes of a statistical-based nonlocal continuum crystal plasticity theory for single-glide in explaining various aspects such as dislocation patterning and size-dependent plasticity, several attempts have been made to…
We use a discrete dislocation dynamics (DDD) approach to study the motion of a dislocation under strong stochastic forces that may cause bending and roughening of the dislocation line on scales that are comparable to the dislocation core…
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…