Related papers: Oxygen-dislocation interaction in titanium from fi…
Titanium alloys can suffer from halide-associated stress corrosion cracking at elevated temperatures e.g., in jet engines, where chlorides and Ti-oxide promote the cracking of water vapour in the gas stream, depositing embrittling species…
The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and…
A trapped ion transported along a periodic potential is studied as a paradigmatic nanocontact frictional interface. The combination of the periodic corrugation potential and a harmonic trapping potential creates a one-dimensional energy…
The aim of the present work is to introduce a thermodynamic model to describe the growth of an oxide layer on a metallic substrate. More precisely, this paper offers a study of oxygen dissolution into a solid, and its consequences on the…
The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that determine the features of these obstacles for the dislocation…
Dislocations in perovskite oxides have important impacts on their physical and chemical properties, which are determined by their unique atomic environments. In the present study, the structure of dislocations in a 10{\deg} low-angle grain…
The utilization of orbital transport provides a versatile and efficient spin manipulation mechanism. As interest in orbital-mediated spin manipulation grows, we face a new issue to identify the underlying physics that determines the…
We report two-dimensional discrete dislocation dynamics simulations of combined dislocation glide and climb leading to `power-law' creep in a model aluminum crystal. The approach fully accounts for matter transport due to vacancy diffusion…
Oxygen vacancies, especially their distribution, are directly coupled to the electromagnetic properties of oxides and related emergent functionalities that have implication in device applications. Here using a homoepitaxial strontium…
The mechanisms of dislocation/precipitate interaction were studied by means of discrete dislocation dynamics within a multiscale approach. Simulations were carried out using the discrete continuous method in combination with a fast Fourier…
The influence of out-of-plane and in-plane contact vibrations and temperature on the friction force acting on a sharp tip elastically pulled on a crystal surface is studied using a generalized Prandtl- Tomlinson model. The average friction…
We employ the methods of atomistic simulation to investigate the climb of edge dislocation at nanovoids by analyzing the energetics of the underlying mechanism. A novel simulation strategy has been demonstrated to estimate the release of…
Dislocations in perovskite oxides have drawn increasing research interest due to their potential of tuning functional properties of electroceramics. Open questions remain regarding the behavior of dislocations concerning their stability…
With an ongoing discussion on the oxygen diffusion along crystal defects remaining, it is difficult to study this phenomenon in Al containing intermetallic materials due to its rapid and passivating oxide formation. We report here the…
The stability of the perfect screw dislocation in silicon has been investigated using both classical potentials and first-principles calculations. Although a recent study by Koizumi et al . stated that the stable screw dislocation was…
A theoretical modeling of the oxygen diffusivity in silicon and germanium crystals both at normal and high hydrostatic pressure has been carried out using molecular mechanics, semiempirical and ab initio methods. It was established that the…
Multiple functional ionic and electronic orders are observed in high temperature superconducting cuprates. The charge density wave order is one of them and it is spatially localized in spatial regions of the material. It is also known that…
The dipolar dissociation of molecular oxygen due to 21-35 eV energy electron collision has been studied using the time sliced velocity map imaging technique. A rough estimation about the threshold of the process and the kinetic energy and…
Unknown changes in the crystalline order of regular TiO$_2$ result in the formation of black titania, which has garnered significant interest as a photocatalytic material due to the accompanying electronic changes. Herein, we determine the…
The interaction between dislocations is fundamental to plastic deformation, work hardening, and defect accumulation. While extensive research has focused on the impact of solutes on individual dislocations, how solutes affect…