相关论文: First-Principles Study of Secondary Slip in Zircon…

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…

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…

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…

Basal slip of a screw dislocations in hexagonal closed-packed titanium is investigated with ab initio calculations. We show that a basal dissociation is highly unstable and reconfigures to other structures dissociated in a first order…

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…

Compared to cubic metals, whose primary slip mode includes twelve equivalent systems, the lower crystalline symmetry of hexagonal close-packed metals results in a reduced number of equivalent primary slips and anisotropy in plasticity,…

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>…

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…

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 alloys is mainly controlled by the interaction of 1/3 1210 screw dislocations with oxygen atoms in interstitial octahedral sites of the hexagonal close-packed lattice. This process is studied here using ab initio…

Pinning interaction between a screw dislocation and a void in fcc copper is investigated by means of molecular dynamics simulation. A screw dislocation bows out to undergo depinning on the original glide plane at low temperatures, where 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…

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…

To understand how dislocations form ordered structures during the deformation of metals, we perform computer simulation studies of the dynamics and patterning of screw dislocations in two dimensions. The simulation is carried out using an…

Using first principles methods we calculated the entire {\gamma}-surface of the first order pyramidal planes in {\alpha}-titanium. Slip on these planes involving dislocations with c + a dislocations is one means by which {\alpha}-titanium…

Topologically secure spin configurations, such as skyrmions and bimerons, offer a compelling alternative to conventional magnetic domains, potentially enabling high-density, low-power spintronic devices. These pseudo-particles,…

The X-cube model, a prototypical gapped fracton model, has been shown to have a foliation structure. That is, inside the 3+1D model, there are hidden layers of 2+1D gapped topological states. A screw dislocation in a 3+1D lattice can often…

We consider a variational anti-plane lattice model and demonstrate that at zero temperature, there exist locally stable states containing screw dislocations, given conditions on the distance between the dislocations, and on the distance…

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…

Ti exhibits complex plastic deformation controlled by active dislocation and twinning systems. Understandings on dislocation cores and twin interfaces are currently not complete or quantitative, despite extensive experimental and simulation…