Related papers: Finite Sized Atomistic Simulations of Screw Disloc…
Time-dependent density functional theory is widely used to describe excitations of many-fermion systems. In its many applications, 3D coordinate-space representation is used, and infinite-domain calculations are limited to a finite volume…
Atomistic simulations of the molecular dynamics/statics kind are regularly used to study small scale plasticity. Contemporary simulations are performed with tens to hundreds of millions of atoms, with snapshots of these configurations…
We demonstrate that an arbitrary system of screw dislocations in a smectic-A liquid crystal may be consistently treated within harmonic elasticity theory, provided that the angles between dislocations are sufficiently small. Using this…
Stress transmission inside three dimensional granular packings is investigated using computer simulations. Localized force perturbation techniques are implemented for frictionless and frictional shallow, ordered, granular arrays confined by…
The aim of this paper is to propose a novel methodology to deal with micro-structural boundary conditions for the analysis of granular materials. The response of the granular assembly is modelled through the discrete element method (DEM),…
The Shuttleworth equation: a linear stress-strain relation ubiquitously used in modeling the behavior of soft surfaces. Its validity in the realm of materials subject to large deformation is a topic of current debate. Here, we allow for…
Motivated by the inadequacy of conducting atomistic simulations of crack propagation using static boundary conditions that do not reflect the movement of the crack tip, we extend Sinclair's flexible boundary condition algorithm [Philos.…
Numerically simulating deformations in thin elastic sheets is a challenging problem in computational mechanics due to destabilizing compressive stresses that result in wrinkling. Determining the location, structure, and evolution of…
Disorder and long-range interactions are two of the key components that make material failure an interesting playfield for the application of statistical mechanics. The cornerstone in this respect has been lattice models of the fracture in…
Linear complexions are stable defect states, where the stress field associated with a dislocation induces a local phase transformation that remains restricted to nanoscale dimensions. As these complexions are born at the defects which…
Ab initio calculations in bcc iron show that a <111> screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The…
An accurate force calculation with the Poisson-Boltzmann equation is challenging, as it requires the electric field on the molecular surface. Here, we present a calculation of the electric field on the solute-solvent interface that is exact…
Stochastic flexural vibrations of small-scale Bernoulli-Euler beams with external damping are investigated by stress-driven nonlocal mechanics. Damping effects are simulated considering viscous interactions between beam and surrounding…
The onset of nonlinear effects in metals, such as plasticity and damage, is strongly influenced by the heterogeneous stress distribution at the grain level. This work is devoted to studying the local stress distribution of shear stresses…
The thermodynamic description of dislocation glide in crystals depends crucially on the shape of the Peierls barrier that the dislocation has to overcome when moving in the lattice. While the height of this barrier can be obtained…
Many physical systems can be modelled as parameter-dependent variational problems. In numerous cases, multiple equilibria co-exist, requiring the evaluation of their stability, and the monitoring of transitions between them. Generally, the…
In body-centred-cubic (bcc) metals migrating 1/2<111> screw dislocations experience a periodic energy landscape with a triangular symmetry. Atomistic simulations, such as those performed using the nudged-elastic-band (NEB) method, generally…
In this article we present the numerical simulation of a dislocation incorporated into a Cosserat plate. The simulation is based on the mathematical model for bending of Cosserat elastic plates recently developed by the authors. The…
We analyze fluctuations of particle displacements and stresses in a sheared athermal suspension of elastic capsules (red blood cells). Upon variation of the volume fraction from the dilute up to the highly concentrated regime, our numerical…
We find the static displacement, stress, strain and the modified Columb failure stress produced in an elastic medium by a finite size rectangular fault after its dislocation with uniform stress drop but a non uniform dislocation on the…