Related papers: Thermodynamic dislocation theory: Application to b…
We report the first ab initio density-functional study of <111> screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to…
A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…
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…
Isolated kinks on thermally fluctuating (1/2)<111> screw, <100> edge and (1/2)<111> edge dislocations in bcc iron are simulated under zero stress conditions using molecular dynamics (MD). Kinks are seen to perform stochastic motion in a…
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…
We modify a theory of flow stress introduced in [arXiv:1803.08247[cond-mat.mtrl-sci]], [arXiv:1809.03628[cond-mat.mes-hall]], [arXiv:1908.09338[cond-mat.mtrl-sci]] for a class of polycrystalline materials with equilibrium and…
The mechanical behaviors of polycrystalline solids are determined by the interplay between phenomena governed by two different thermodynamic temperatures: the configurational effective temperature that controls the density of dislocations,…
I show using Landau theory that quenched dislocations can facilitate the supersolid (SS) to normal solid (NS) transition, making it possible for the transition to occur even if it does not in a dislocation-free crystal. I make detailed…
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…
In this paper, we proposed a novel method using the elementary number theory to investigate the discrete nature of the screw dislocations in crystal lattices, simple cubic (SC) lattice and body centered cubic (BCC) lattice, by developing…
We present molecular dynamics simulations of the thermodynamic melting transition of a bcc metal, vanadium using the Finnis-Sinclair potential. We studied the structural, transport and energetic properties of slabs made of 27 atomic layers…
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…
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…
The dynamics of dislocations can be formulated in terms of the evolution of continuous variables representing dislocation densities ('continuum dislocation dynamics'). We show for various variants of this approach that the resulting models…
Owing to their non-planar cores 1/2<111> screw dislocations govern the plastic deformation of BCC metals. Atomistic studies of the glide of these dislocations at 0 K have been performed using Bond Order Potentials for molybdenum and…
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…
This paper studies the plane constrained shear problem for single crystals having one active slip system and subjected to loading in both directions within the small strain thermodynamic dislocation theory proposed by Le (2018). The…
The mechanical responses of single crystalline Body-Centered Cubic (BCC) metals, such as molybdenum (Mo), outperform other metals at high temperatures, so much so that they are considered as excellent candidates for applications under…
A number of recent Molecular Dynamics (MD) simulations have demonstrated that screw dislocations in face centered cubic (fcc) metals can achieve stable steady state motion above the lowest shear wave speed ($v_\text{shear}$) which is…
General Weitzenbock material manifolds of dislocations in crystals Are proposed, the reference, idealized and deformation states of the bodies in general case are generally described by the general manifolds, the topological gauge field…