Related papers: The Peierls--Nabarro FE model in two-phase microst…
The dipole P(F) of systems with periodic boundary conditions (PBC) in a static electric field F is applied to one-dimensional Peierls-Hubbard models for organic charge-transfer (CT) salts. Exact results for P(F) are obtained for finite…
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…
We derive strain-gradient plasticity from a nonlocal phase-field model of dislocations in a plane. Both a continuous energy with linear growth depending on a measure which characterizes the macroscopic dislocation density and a nonlocal…
Dynamic nucleation of dislocations caused by a stress front ('shock') of amplitude $\sigma_{\rm a}$ moving with speed $V$ is investigated by solving numerically the Dynamic Peierls Equation with an efficient method. Speed $V$ and amplitude…
Pinning of dislocations at nanosized obstacles like precipitates, voids and bubbles, is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often explored…
The nonequilibrium dynamics of diffusion-mediated plasticity and creep in materials subjected to constant load at high homologous temperatures is studied atomistically using Phase Field Crystal (PFC) methods. Creep stress and grain size…
This paper presents an extension of the discrete element method using a phase-field formulation to incorporate grain shape and its evolution. The introduction of a phase variable enables an effective representation of grain geometry and…
The effects of quantum lattice fluctuations on the Peierls transition are studied within the one--dimensional Holstein molecular crystal model by means of exact diagonalization methods. Applying a very efficient variational Lanczos…
In this paper we consider the time dependent Peierls-Nabarro model in dimension one. This model is a semi-linear integro-differential equation associated to the half Laplacian. This model describes the evolution of phase transitions…
We study the existence and uniqueness of solutions to the vector field Peierls-Nabarro model for curved dislocations in a transversely isotropic medium. Under suitable assumptions for the misfit potential on the slip plane, we reduce the 3D…
Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip…
A theoretical framework is proposed to derive a dynamic equation motion for rectilinear dislocations within isotropic continuum elastodynamics. The theory relies on a recent dynamic extension of the Peierls-Nabarro equation, so as to…
Under the right circumstances, inertial particles (such as sand or dust) settling through the atmospheric boundary layer can experience a net enhancement in their average settling velocity due to their inertia. Since this enhancement arises…
A finite element (FE) discretization for the steady, incompressible, fully inhomogeneous, generalized Navier-Stokes equations is proposed. By the method of divergence reconstruction operators, the formulation is valid for all shear stress…
This work proposes a hybrid modeling framework based on recurrent neural networks (RNNs) and the finite element (FE) method to approximate model discrepancies in time dependent, multi-fidelity problems, and use the trained hybrid models to…
The one-dimensional (1D) model system Au/Ge(001), consisting of linear chains of single atoms on a surface, is scrutinized for lattice instabilities predicted in the Peierls paradigm. By scanning tunneling microscopy and electron…
Atomic and electronic structures of phosphorene nanoribbons are studied within density functional theory. These novel materials present different physical phenomena expected in two very different physical systems: one dimensional metallic…
Finite element analysis (FEA) has been widely used to generate simulations of complex and nonlinear systems. Despite its strength and accuracy, the limitations of FEA can be summarized into two aspects: a) running high-fidelity FEA often…
A pore network modeling (PNM) framework for the simulation of transport of charged species, such as ions, in porous media is presented. It includes the Nernst-Planck (NP) equations for each charged species in the electrolytic solution in…
Atomistic computations of the Peierls stress in fcc metals are relatively scarce. By way of contrast, there are many more atomistic computations for bcc metals, as well as mixed discrete-continuum computations of the Peierls-Nabarro type…