Related papers: Dislocation structure and mobility in the layered …
In order to relieve the misfitting elastic energy, the hetero-interfaces become semicoherent by forming networks of dislocations. These microscopic structures strongly influence the materials properties associated with the development of…
We derive strain-gradient plasticity from a nonlocal phase-field model of dislocations in a plane. Both a continuous energy with linear growth depending on a measure which characterizes the macroscopic dislocation density and a nonlocal…
The top-down synthesis of inherently ferroelectric semiconductors and their integration with traditional material platforms have the potential to enable new low power logic devices, and to harness the bulk photoelectric effect for more…
We present a comprehensive study of the electronic structure of the layered semiconductor InSe using density functional theory. We calculate the band structure of the monolayer and bulk material with the band gap corrected using hybrid…
The ripplocation is a crystallographic defect which is unique to layered materials, combining nanoscale delamination with the crystallographic slip of a basal dislocation. Here, we have studied basal dislocations and ripplocations, in…
Dislocations in ceramics have recently gained renewed research interest, in contrast to the traditional belief that ceramics are inherently brittle. Understanding dislocation mechanics in representative oxides is beneficial for effective…
Crystals and other condensed matter systems described by density waves often exhibit dislocations. Here we show, by considering the topology of the ground state manifolds (GSMs) of such systems, that dislocations in the density phase field…
In recent years there has been renewed interest in the behavior of dislocations in crystals that exhibit strong atomic scale disorder, as typical of compositionally complex single phase alloys. The behavior of dislocations in such crystals…
We report the first ab initio density-functional study of <111> screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to…
Matallic alloys, such as Al or Cu, or mild steel, display plastic instabilities in a well defined range of temperatures and deformation rates, a phenomenon known as the Portevin-Le Chatelelier (PLC) effect. The stick-slip behavior, or…
During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…
In small volumes, sample dimensions are known to strongly influence mechanical behavior, especially strength and crystal plasticity. This correlation fades away at the so-called mesoscale, loosely defined at several micrometers in both…
Pinning of dislocations at nanosized obstacles like precipitates, voids and bubbles, is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often explored…
Interfacial deposition stability between Li metal and a solid electrolyte (SE) is important in preventing interfacial contact loss, mechanical fracture, and dendrite growth in Li-metal solid-state batteries (SSB). In this work, we…
Misfit compounds are thermodynamically stable stacks of two-dimensional materials, forming a three-dimensional structure that remains incommensurate in one direction parallel to the layers. As a consequence, no true bonding is expected…
In layered materials, a common mode of deformation involves buckling of the layers under tensile deformation in the direction perpendicular to the layers. The instability mechanism, which operates in elastic materials from geological to…
A novel model based on the Peierls framework of dislocations is developed. The new theory can deal with a dislocation spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction process of two fcc…
Non-singular dislocation continuum theories are studied. A comparison between Peierls-Nabarro dislocations and straight dislocations in strain gradient elasticity is given. The non-singular displacement fields, non-singular stresses,…
Nanoscience offers a unique opportunity to design modern materials from the bottom up, via low-cost, solution processed assembly of nanoscale building blocks. These systems promise electronic band structure engineering using not only the…
We study numerically and analytically the instabilities associated with phase separation in a solid layer on which an external material ux is imposed. The first instability is localized within a boundary layer at the exposed free surface by…