Related papers: Finite Sized Atomistic Simulations of Screw Disloc…
We demonstrate that the straightforward application of the Nudged Elastic Band (NEB) method does not determine the correct Peierls barrier of 1/2<111> screw dislocations in BCC metals. Although this method guarantees that the states…
We develop an athermal shear-transformation-zone (STZ) theory of plastic deformation in spatially inhomogeneous, amorphous solids. Our ultimate goal is to describe the dynamics of the boundaries of voids or cracks in such systems when they…
Methods for finding the optimal choices of the applied remote loads -- the applied normal force, moment, shear force and remote bulk stresses -- needed to solve frictional contact problems in partial-slip using half-plane theory are derived…
Previous studies demonstrate that grain-boundary sliding could accelerate creep rate and give rise to large internal stresses that can lead to damage development, e.g. formation of wedge cracks. The present study provides more insight into…
We consider a mathematical model for wound contraction, which is based on solving a momentum balance under the assumptions of isotropy, homogeneity, Hooke's Law, infinitesimal strain theory and point forces exerted by cells. However, point…
In granular physics experiments, it is a persistent challenge to obtain the boundary stress measurements necessary to provide full a rheological characterization of the dynamics. Here, we describe a new technique by which the outer boundary…
The current study explores the analysis of crack in initially stressed, rotating material strips, drawing insights from singular integral equations. In this work, a self-reinforced material strip with finite thickness and infinite extent,…
We present the results of large scale molecular dynamics simulations aimed at understanding the origins of high friction coefficients in pure metals, and their concomitant reduction in alloys and composites. We utilize a series of targeted…
We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…
In this Thesis we first show how the shape of the Peierls barrier and its dependence on the applied loading can be extracted from the data obtained in atomistic studies at 0 K. We consider the Peierls barrier as a two-dimensional periodic…
In computational engineering, ensuring the integrity and safety of structures in fields such as aerospace and civil engineering relies on accurate stress prediction. However, analytical methods are limited to simple test cases, and…
Are the cohesive laws of interfaces sufficient for modelling fracture in polycrystals using the cohesive zone model? We examine this question by comparing a fully atomistic simulation of a silicon polycrystal to a finite element simulation…
We perform molecular dynamics simulations of homogeneous athermal systems of poly-disperse soft discs under shear. For purely repulsive interactions between particles, and under a confining external pressure, a monotonous flow curve (strain…
Cross-slip is a thermally activated process by which screw dislocation changes its glide plane to another slip plane sharing the same Burgers vector. The rate at which this process happens is determined by a Boltzmann type expression that…
Pinning interaction between a screw dislocation and a void in fcc copper is investigated by means of molecular dynamics simulation. A screw dislocation bows out to undergo depinning on the original glide plane at low temperatures, where the…
The response to a localized force provides a sensitive test for different models of stress transmission in granular solids. The elasto-plastic models traditionally used by engineers have been challenged by theoretical and experimental…
The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as well as of dislocation motion. We analyze in detail the…
We investigate the self-locking of the bowline knot through numerical simulations, experiments, and theoretical analysis. Specifically, we perform two complementary types of simulations using the 3D finite-element method (FEM) and a…
Variational phase-field models of fracture are widely used to simulate nucleation and propagation of cracks in brittle materials. They are based on the approximation of the solutions of free-discontinuity fracture energy by two smooth…
Molecular static simulations have been performed to study the interaction between a single dislocation and a substitutional Al solute atom in a pure crystal of Ni. When the Al solute is situated at intermediate distance from the slip plane,…