相关论文: Oxygen - Dislocation interaction in zirconium from…
The interaction between screw dislocations and oxygen interstitial atoms is studied with ab initio calculations in hexagonal close-packed titanium. Our calculations evidence a strong repulsion when the solute atoms are located in the…
Plasticity in zirconium is controlled by 1/3<1-210> screw dislocations gliding in the prism planes of the hexagonal close-packed structure. This prismatic and not basal glide is observed for a given set of transition metals like zirconium…
We employ density-functional-theory calculations to analyze the interactions between oxygen interstitial atoms and <a>-type screw dislocations (<a> = a<11-20>/3 ) in alpha-titanium, based on investigations of generalized stacking fault…
Plasticity in hexagonal close-packed zirconium is mainly controlled by the glide of dislocations with 1/3<1-210> Burgers vectors. As these dislocations cannot accommodate deformation in the [0001] direction , twinning or glide of <c+a>…
Oxygen greatly affects the mechanical properties of titanium. In addition, dislocations and twin boundaries influence the plastics deformation of hcp metals. As part of a systematic study of defects interactions in Ti, we investigate the…
Dislocation core chemistry in oxides critically influences mechanical behavior and functionality; yet the evolution of core chemistry during the dislocation motion in them has not been directly observed. Here, using SrTiO3 as a model…
Plasticity in hexagonal close-packed zirconium is controlled by screw dislocations which easily glide in the prismatic planes where they are dissociated. At high enough temperatures, these dislocations can deviate out of the prism planes to…
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…
The interaction between carbon and screw dislocations in tungsten is investigated using ab initio calculations. The presence of carbon atoms in the vicinity of the dislocation induces a reconstruction, with the dislocation relaxing to a…
Slip intermittency and stress oscillations in titanium alloy Ti-7Al-O that were observed using in-situ far-field high energy X-ray diffraction microscopy (ff-HEDM) are investigated using a discrete dislocation plasticity (DDP) model. The…
The interaction of two screw dislocations in smectic-A liquid crystals is treated using an anharmonic correction to the elastic energy density. In the present contribution the elastic energy and the force between two screw dislocations is…
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…
Although the favored glide planes in hexagonal close-packed Zr are prismatic, screw dislocations can escape their habit plane to glide in either pyramidal or basal planes. Using abinitio calculations within the nudged elastic band method,…
Basal slip acts as a secondary deformation mode in hexagonal close-packed titanium and becomes one of the primary mechanisms in titanium alloyed with simple metals. As these solute elements also lead to a pronounced reduction of the energy…
Dislocations in ductile ceramics offer the potential for robust mechanical performance while unlocking versatile functional properties. Previous studies have been limited by small volumes with dislocations and/or low dislocation densities…
Atomistic simulations, based either on an empirical interatomic potential or on ab initio calculations, are used to study the pyramidal glide of a 1/3 <1-210> screw dislocation in hexagonal close-packed zirconium. Generalized stacking fault…
Dislocation-solute interaction plays fundamental roles in mechanical properties of alloys. Here, we disclose the essential features of dislocation-carbon interaction in austenitic Fe at the atomistic scale. We show that passage of a…
The nature of mechanically induced dislocations in SrTiO3 at low temperatures has been a disputed matter for a long time. Here we provide a systematic overview of the existing knowledge on dislocations in stoichiometric SrTiO3 complemented…
Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…
This study delves into bcc HfNbTaTiZr refractory high entropy alloys, focusing on the $\frac{1}{2}\langle111\rangle$ screw dislocation core structures. While traditional observations in pure elements often revealed compact dislocation…