Related papers: A discrete to continuum analysis of dislocations i…
In the context of nanowire heterostructures we perform a discrete to continuum limit of the corresponding free energy by means of $\Gamma$-convergence techniques. Nearest neighbours are identified by employing the notions of Voronoi…
We analyse the rigidity of discrete energies where at least nearest and next-to-nearest neighbour interactions are taken into account. Our purpose is to show that interactions beyond nearest neighbours have the role of penalising changes of…
In this paper we introduce Peierls-Nabarro type models for edge dislocations at semi-coherent interfaces between two heterogeneous crystals, and prove the optimality of uniformly distributed edge dislocations. Specifically, we show that the…
We propose nonlinear semi-discrete and discrete models for the elastic energy induced by a finite systems of edge dislocations in two dimensions. Within the dilute regime, we analyze the asymptotic behavior of the nonlinear elastic energy,…
We consider electrostatic interactions in two classes of nanostructures embedded in a three dimensional space: (1) helical nanotubes, and (2) thin films with uniform bending (i.e., constant mean curvature). Starting from the atomic scale…
We propose and analyze a simple variational model for dislocations at semi-coherent interfaces. The energy functional describes the competition between two terms: a surface energy induced by dislocations that compensate the lattice misfit…
We consider a discrete model of planar elasticity where the particles, in the reference configuration, sit on a regular triangular lattice and interact through nearest neighbor pairwise potentials, with bonds modeled as linearized elastic…
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…
Using molecular dynamics simulations, we reveal emergent properties of hydrated electrode interfaces that while molecular in origin are integral to the behavior of the system across long times scales and large length scales. Specifically,…
The interaction of dislocations with phase boundaries is a complex phenomenon, that is far from being fully understood. A 2D Peierls-Nabarro finite element (PN-FE) model for studying edge dislocation transmission across fully coherent and…
The cores of edge dislocations, edge dislocation dipoles and edge dislocation loops in planar graphene have been studied by means of periodized discrete elasticity models. To build these models, we have found a way to discretize linear…
We address the discretization of two-phase Darcy flows in a fractured and deformable porous medium, including frictional contact between the matrix-fracture interfaces. Fractures are described as a network of planar surfaces leading to the…
We propose a discrete lattice model of the energy of dislocations in three-dimensional crystals which properly accounts for lattice symmetry and geometry, arbitrary harmonic interatomic interactions, elastic deformations and discrete…
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…
Singularities in macroscopic systems at discontinuous phase transitions are replaced in finite systems by sharp but continuous changes. Both the energy differences between metastable and stable phases and the energy barriers separating…
We revisit some recents results inspired by the Peierls-Nabarro model on edge dislocations for crystals which rely on the fractional Laplace representation of the corresponding equation. In particular, we discuss results related to…
Mathematical settings in which heterogeneous structures affect electron transport through a tube-shaped quantum waveguide are studied, highlighting the interaction between heterogeneities and geometric parameters like curvature and torsion.…
Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitrarily-curved grain boundaries or heterophase interfaces…
We investigate theoretically the effects of elastic and plastic deformations on heterogeneous nucleation and nanowire formation. In the first case, the influence of the confinement of the critical nucleus between two parallel misfitting…
We perform the discrete-to-continuum limit passage for a microscopic model describing the time evolution of dislocations in a one dimensional setting. This answers the related open question raised by Geers et al. in [GPPS13]. The proof of…