Related papers: An atomistic-to-continuum analysis of crystal clea…
We study the behavior of atomistic models in general dimensions under uniaxial tension and investigate the system for critical fracture loads. We rigorously prove that in the discrete-to-continuum limit the minimal energy satisfies a…
We consider a two-dimensional atomic mass spring system and show that in the small displacement regime the corresponding discrete energies can be related to a continuum Griffith energy functional in the sense of Gamma-convergence. We also…
We study the atomistic-to-continuum limit for a model of a quasi-static crack evolution driven by time-dependent boundary conditions. We consider a two-dimensional atomic mass spring system whose interactions are modeled by classical…
Within the Landau-de Gennes theory of liquid crystals, we study theoretically the equilibrium configurations with uniaxial symmetry. We show that the uniaxial symmetry constraint is very restrictive and can in general not be satisfied,…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
Various fields such as mechanical engineering, materials science, etc., have seen a widespread use of linear elastic fracture mechanics (LEFM) at the continuum scale. LEFM is also routinely applied to the atomic scale. However, its…
We show that nonlinear continuum elasticity can be effective in modeling plastic flows in crystals if it is viewed as Landau theory with an infinite number of equivalent energy wells whose configuration is dictated by the symmetry group…
We calculate mean square deviations for crystals in one and two dimensions. For the two dimensional lattices, we consider several distinct geometries (i.e. square, triangular, and honeycomb), and we find the same essential phenomena for…
This paper addresses the problem of consistent energy-based coupling of atomistic and continuum models of materials, limited to zero-temperature statics of simple crystals. It has been widely recognized that the most practical coupled…
In this paper we present two atomistic models for the energy of a one-dimensional elastic crystal. We assume that the macroscopic displacement equals the microscopic one. The energy of the first model is given by a two-body interaction…
We studied the low speed fracture regime (0.1mm/s - 1nm/s) in different glassy materials (soda-lime glass, glass-ceramics) with variable but controlled length scale of heterogeneity. The chosen mechanical system enabled us to work in pure…
The breaking rate of an atomic chain stretched at zero temperature by a constant force can be calculated in a quasiclassical approximation by finding the localized solutions ("bounces") of the equations of classical dynamics in imaginary…
We study the mechanical response of a dislocation-free 2D crystal under homogenous shear using a new mesoscopic approach to crystal plasticity, a Landau-type theory, accounting for the global invariance of the energy in the space of strain…
Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density functional calculations. The Keating model is based on atomistic modeling of elastic interactions in…
A three-dimensional continuum dislocation theory for single crystals containing curved dislocations is proposed. A set of governing equations and boundary conditions is derived for the true placement, plastic slips, and loop functions in…
Griffith thermodynamic energy balance is employed to analyze cleavage phenomenon from atomic level. Results show that the cleavage toughness, the strain energy release rate, and the surface energy can be defined by the bond strength (the…
We devise a new technique to prove two-dimensional crystallization results in the square lattice for finite particle systems. We apply this strategy to energy minimizers of configurational energies featuring two-body short-ranged particle…
We study uniaxial energy minimizers within the Landau-de Gennes theory for nematic liquid crystals, subject to dirichlet boundary conditions. Topological defects in such minimizers correspond to the zeros of the corresponding equilibrium…
Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…
We study a modified Landau-de Gennes model for nematic liquid crystals, where the elastic term is assumed to be of subquadratic growth in the gradient. We analyze the behaviour of global minimizers in two- and three-dimensional domains,…