Related papers: Finite Sized Atomistic Simulations of Screw Disloc…
Mesoscale simulations of discrete defects in metals provide an ideal framework to investigate the micro-scale mechanisms governing the plastic deformation under high thermal and mechanical loading conditions. To bridge size and time-scale…
It is an interesting and important topic to study the motion of small particles in a viscous liquid in current applied research. In this paper we assume the particles are convex with arbitrary shapes and mainly investigate the interaction…
Interactions among dislocations and solute atoms are the basis of several important processes in metals plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which…
In linearised continuum elasticity, the elastic strain due to a straight dislocation line decays as $O(r^{-1})$, where $r$ denotes the distance to the defect core. It is shown in Ehrlacher, Ortner, Shapeev (2016) that the core correction…
We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determine atomic displacements and structural transformations…
We consider a variational anti-plane lattice model and demonstrate that at zero temperature, there exist locally stable states containing screw dislocations, given conditions on the distance between the dislocations, and on the distance…
This study numerically investigated the friction of viscoelastic objects with grooves. A 3D viscoelastic block with grooves on a rigid substrate is slowly pushed from the lateral side under uniform pressure on the top surface. The local…
A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…
We study a one-dimensional model of a dislocation pileup driven by an external stress and interacting with random quenched disorder, focusing on predictability of the plastic deformation process. Upon quasistatically ramping up the…
The interplay of screw dislocations with carbon atoms is investigated in tungsten at high temperature using in situ straining experiments in a transmission electron microscope (TEM) and through ab initio calculations. When the temperature…
Plastic flow in body-centered cubic (BCC) metals and dilute/concentrated alloys is governed by the motion of <111> screw dislocations, whose glide is often impeded by cross-kinks (jogs). While existing strengthening models typically treat…
This paper presents a technique for stress and fracture analysis by using the scaled boundary finite element method (SBFEM) with quadtree mesh of high-order elements. The cells of the quadtree mesh are modelled as scaled boundary polygons…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…
Extreme mechanical processes such as strong lattice distortion and bond breakage during fracture are ubiquitous in nature and engineering, which often lead to catastrophic failure of structures. However, understanding the nucleation and…
Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport…
The interaction between carbon and screw dislocations in tungsten is investigated using ab initio calculations. The presence of carbon atoms in the vicinity of the dislocation induces a reconstruction, with the dislocation relaxing to a…
Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic…
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…
Cross slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery.…