Related papers: Finite-temperature screw dislocation core structur…
We simulate the dislocation core structure in bcc iron using the modified Molecular Static method. A feature of this method is the application of an iterative procedure in which the atomic structure in the vicinity of the defect and the…
An analysis of the processes of plastic deformation and acoustic relaxation in a high-entropy alloy Al$_{0.5}$CoCrCuFeNi was carried out. The following have been established: dominant dislocation defects; types of barriers that prevent the…
Friction in atomistic systems is usually described by the classical Prandtl-Tomlinson model suitable for capturing the dragging force of a nanoparticle in a periodic potential. Here we consider the quantum mechanical version of this model…
In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the…
We calculate the free energies of unstable stacking fault (USF) configurations on the glide and shuffle slip planes in silicon as a function of temperature, using the recently developed Environment Dependent Interatomic Potential (EDIP). We…
We develop a fully coupled theoretical description of dislocation dynamics on deformable crystalline surfaces, using continuum modeling and the amplitude-phase-field crystal (APFC) framework extended to curved geometries. We derive a…
Helimagnets realize an effective lamellar ordering that supports disclination and dislocation defects. Here, we investigate the micromagnetic structure of screw dislocation lines in cubic chiral magnets using analytical and numerical…
Thermomechanical processing such as annealing is one of the main methods to tailor the mechanical properties of materials, however, much is unknown about the reorganization of dislocation structures deep inside macroscopic crystals that…
We introduce a method to simulate open quantum many-body dynamics by combining time-dependent variational Monte Carlo (tVMC) with quantum trajectory techniques. Our approach unravels the Lindblad master equation into an ensemble of…
The two-dimensional dislocation dynamics approach has been recently used for analyzing plastic deformation in metals and alloys at elevated temperatures. The two-dimensional approach, however, only accounts for the dislocation climbing…
In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as completely as possible the simplest case: a single dislocation in a two dimensional crystal. The intention is that results…
The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here in an analysis of a bar subjected to torsion. Employing a small set of physics-based parameters, which we expect to be approximately…
Movement of edge (line) dislocations in FCC steel 310S is shown to depend on the size on nanoscale structures, based on modeling withing molecular dynamics (MD). The effect is attributed to time (and size) dependencies of pressure…
The fundamental dislocation processes of glide, climb, and annihilation are studied on diffusive time scales within the framework of a continuum field theory, the Phase Field Crystals (PFC) model. Glide and climb are examined for single…
Kinetic Monte-Carlo (KMC) simulations are a well-established numerical tool to investigate the time-dependent surface morphology in molecular beam epitaxy (MBE) experiments. In parallel, simplified approaches such as limited mobility (LM)…
Modeling dislocations is an inherently multiscale problem as one needs to simultaneously describe the high stress fields near the dislocation cores, which depend on atomistic length scales, and a surface boundary value problem which depends…
The modest aim of this short article is to provide some new results for a screw dislocation in a functionally graded material within the theory of gradient elasticity. These results, based on a displacement formulation and the Fourier…
Dislocation-mediated plastic deformation in ceramic materials has sparked renewed research interest due to the technological potential of dislocations. Despite the long research history of dislocations as one-dimensional lattice defects in…
In a low-temperature study with a scanning tunneling microscope (STM), the irreducible lateral motion of a CO molecule adsorbed on a Si(001) surface showed a hyperlinear dependence on the tunneling current. This dependence implies that the…
Magnetic skyrmions with its topologically protected, nano-sized spin textures have already earned immense fame as information carriers due to their stability and low-current mobility. While ferromagnetic skyrmions suffer from a transverse…