Related papers: Unified Framework for Dislocation-Based Defect Ene…
The energy-energy correlator (EEC) is an event shape observable which probes the angular correlations of energy depositions in detectors at high energy collider facilities. It has been investigated extensively in the context of precision…
Defects influence the properties and functionality of all crystalline materials. For instance, point defects participate in electronic (e.g. carrier generation and recombination) and optical (e.g. absorption and emission) processes critical…
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…
It is well known that energy dissipation and finite size can deeply affect the dynamics of granular matter, often making usual hydrodynamic approaches problematic. Here we report on the experi-mental investigation of a small model system,…
We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles…
Recently, effective one-dimensional configuration coordinate diagrams have been utilized to calculate the line shapes of luminescence spectra and non-radiative carrier capture coefficients via point defects. Their calculations necessitate…
We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation,…
We study a general asymptotic behavior of critical points of a diffused interface energy with a fixed contact angle condition defined on a domain $\Omega \subset \mathbb{R}^n$. We show that the limit varifold derived from the diffused…
The incompatibility of linearized piecewise smooth strain field, arising out of volumetric and surface densities of topological defects and metric anomalies, is investigated. First, general forms of compatibility equations are derived for a…
This paper is devoted to show a discrete adaptive finite element approximation result for the isotropic two-dimensional Griffith energy arising in fracture mechanics. The problem is addressed in the geometric measure theoretic framework of…
Damage nucleation from repeated dislocation absorption at a grain boundary is simulated with molecular dynamics. At the grain boundary-dislocation intersection site, atomic shuffling events determine how the free volume brought by the…
The continuum mechanics of line defects representing singularities due to terminating discontinuities of the elastic displacement and its gradient field is developed. The development is intended for application to coupled phase…
We study numerically the minimum energy path and energy barriers for dislocation nucleation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Stress relaxation processes from coherent to…
Let us consider the singularly perturbed model problem $Lu:=-\varepsilon\Delta u-bu_x+c u =f$ with homogeneous Dirichlet boundary conditions on $\Gamma=\partial\Omega$ $u|_\Gamma =0$ on the unit-square $\Omega=(0,1)^2$. Assuming that $b>0$…
We explore an interacting dark matter (DM)-dark energy (DE) framework that naturally yields an effective dynamical DE equation of state crossing the phantom barrier at early times, as indicated by recent DESI data, while also accounting for…
We revisit the paradigm of unified dark energy discussing in detail the averaging problem in this type of scenarios, highlighting the need for a full non-linear treatment. We also address the question of if and how models with one or…
We have developed a new and user-friendly interface energy calculation method that avoids problems deriving from numerical differences between bulk and slab calculations, such as the number of k points along the direction perpendicular to…
The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…
We study a variational model for a diblock-copolymer/homopolymer blend. The energy functional is a sharp-interface limit of a generalisation of the Ohta-Kawasaki energy. In one dimension, on the real line and on the torus, we prove…
The elastic energy functional of a system of discrete dislocation lines is well known from dislocation theory. In this paper we demonstrate how the discrete functional can be used to systematically derive approximations which express the…