Related papers: Dislocation core field. II. Screw dislocation in i…
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing methods. Many important structures are thus missing in the…
Density functional theory with local density approximation for exchange and correlation functional is used to tune the electronic band structure of silicene monolayer. The cohesive energy of free standing monolayer is increasing…
A class of congruences of principal Volterra-type effective dislocation lines associated with a dislocation density tensor is distinguished in order to investigate the kinematics of continuized defective crystals in terms of their…
Cosmic strings, as topological spacetime defects, show striking resemblance to defects in solid continua: distortions, which can be classified into disclinations and dislocations, are line-like defects characterized by a delta…
The diffraction slope parameter is investigated for elastic proton-proton and proton-antiproton scattering based on the all available experimental data at intermediate square of momentum transfer in the main. Energy dependence of the…
Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…
We present an ab initio study of core excitations of solid-state materials focussing on the role of electron-hole correlation. In the framework of an all-electron implementation of many-body perturbation theory into the exciting code, we…
Dislocations in soft condensed matter systems such as lamellar systems of polymers, liquid crystals and ternary mixtures of oil, water and surfactant (amphiphilic systems) are described in the framework of continuum elastic theory. These…
Large lossless currents in high-temperature superconductors (HTS) critically rely on dense defects with suitable size and dimensionality to pin vortices, with dislocations being particularly effective due to their one-dimensional geometry…
We use first-principles spin-polarized energy density method (EDM) to calculate the atomic energies in isolated $a_0[100](010)$ edge, $a_0[100](011)$ edge, $\frac{a_0}{2}[\bar1\bar11](1\bar10)$ edge and $\frac{a_0}{2}[111](1\bar10)$…
Starting from a prototypical model of elasto-plasticity in the small-strain and quasi-static setting, where the evolution of the plastic distortion is driven exclusively by the motion of discrete dislocations, this work performs a rigorous…
We present a curated dataset of planar displacement fields from eight fatigue crack growth experiments obtained via full-field digital image correlation (DIC). The dataset covers multiple aerospace-grade aluminium alloys, specimen…
Whereas disclination defects are energetically prohibitive in two-dimensional flat crystals, their existence is necessary in crystals with spherical topology, such as viral capsids, colloidosomes or fullerenes. Such a geometrical…
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…
By using the state-of-the-art microscopy and spectroscopy in aberration-corrected scanning transmission electron microscopes, we determine the atomic arrangements, occupancy, elemental distribution, and the electronic structures of…
The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms…
(a+c) dislocations in hexagonal materials are typically observed to be dissociated into partial dislocations. Edge (a+c) dislocations are introduced into (0001) nitride semiconductor layers by the process of plastic relaxation. As there is…
Twin growth in hexagonal close-packed zirconium is investigated at the atomic scale by modeling the various disconnections that can exist on twin boundaries. Thanks to a coupling with elasticity theory, core energies are extracted from…
Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip…
Tensile stress relaxation is combined with transmission electron microscopy to reveal dramatic changes in dislocation structure and sub structure in pure alpha iron as a result of the effects of dissolved hydrogen. We find that hydrogen…