Related papers: Periodized discrete elasticity models for defects …
The discrete static properties of a class of deformable double-well potential models are investigated. The Peierls-stress potential of the models is explicitely given. Numerical analysis of the equation of motion reveal different soliton…
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…
We analyse the equilibrium pile-up configurations of infinite periodic walls of edge dislocations which are forced against an impenetrable obstacle by a constant applied shear stress. Numerically generated density distributions exhibit two…
We present a general method to identify topological materials by studying the local electronic density $\delta \rho \left(\boldsymbol{r}\right)$. More specifically, certain types of defects or spatial textures such as vacancies, turn…
The grain boundaries (GBs) of a graphene surface were extensively studied because GBs with specific defect configurations result in the formation of new curved structures, which can be treated as new carbon allotropes. We studied the…
A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which…
Grain boundaries with dangling bonds (DBGB) in graphene are studied by atomistic Monte Carlo and molecular dynamics simulations in combination with density functional (SIESTA) calculations. The most stable configurations are selected and…
We consider spectral mixed discontinuous Galerkin finite element discretizations of the Lam\'e system of linear elasticity in polyhedral domains in $\mathbb{R}^3$. In order to resolve possible corner, edge, and corner-edge singularities,…
The stress-driven motion of dislocations in crystalline solids, and thus the ensuing plastic deformation process, is greatly influenced by the presence or absence of various point-like defects such as precipitates or solute atoms. These…
Our previous molecular dynamic simulation studies of simple two-dimensional (2D) systems \cite{matt_big} suggested that both geometrical defects (localized, large-amplitude deviations from hexagonal ordering) and topological defects…
We consider an array of dual-core waveguides, which represent an optical realization of a chain of dimers, with an active (gain-loss) coupling between the cores, opposite signs of discrete diffraction in the parallel arrays, and a…
Hydrogenated graphene edges are assumed to be either armchair, zigzag or a combination of the two. We show that the zigzag is not the most stable fully hydrogenated structure along the <2-1-10> direction. Instead hydrogenated Klein and…
Kekul\'e phases are Peierls-like lattice distortions in graphene that are predicted to host novel electronic states beyond graphene (1-8). Although the Kekul\'e phases are realized in graphene through introducing electron-electron…
A simple model for flexural phonons in graphite (and graphene, corresponding to the limiting case of infinite distance between carbon planes) is proposed, in which the local dipolar moment is assumed to be proportional to the curvature of…
Employing density-functional theory (DFT) calculations, the generalized-stacking-fault energy (GSFE) curves along two crystallographic slips, glide and shuffle, for both pristine graphene and impurity of boron (B) or nitrogen (N) doped…
The structure of finite-area topological defects in graphene is described in terms of both the direct honeycomb lattice and its dual triangular lattice. Such defects are equivalent to cutting out a patch of graphene and replacing it with a…
It is known that zigzag graphene edge is able to support edge states: there is a non-dispersive single-electron band localized near the zigzag edge. However, it is generally believed that no edge states exist near the armchair edge. In this…
We consider the symmetry-breaking steady state bifurcation of a spatially-uniform equilibrium solution of E(2)-equivariant PDEs. We restrict the space of solutions to those that are doubly-periodic with respect to a square or hexagonal…
We propose a model of ripples in suspended graphene sheets based on plate equations that are made discrete with the periodicity of the honeycomb lattice and then periodized. In addition, the equation for the displacements with respect to…
We report on the structural and transport properties of the smallest dislocation loop in graphene, known as a flower defect. First, by means of advanced experimental imaging techniques, we deduce how flower defects are formed during…