63 citations · 174 across the 4 of their papers we have counts for
4 papers
Oxygen-dislocation interaction in titanium from first principles
Nermine Chaari, David Rodney, Emmanuel Clouet
The interaction between screw dislocations and oxygen interstitial atoms is studied with ab initio calculations in hexagonal close-packed titanium. Our calculations evidence a stro…
Oxygen - Dislocation interaction in zirconium from first principles
Nermine Chaari, David Rodney, Emmanuel Clouet
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-pack…
First order pyramidal slip of 1/3 <1-210> screw dislocations in zirconium
Nermine Chaari, Emmanuel Clouet, David Rodney
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…
First-Principles Study of Secondary Slip in Zirconium
Nermine Chaari, Emmanuel Clouet, David Rodney
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 ab…