Core structures and mobility of ⟨c⟩ dislocations in magnesium. (1st July 2017)

• Record Type: Journal Article
• Authors: Fan, Haidong; Tang, Jing; Tian, Xiaofeng; Wang, Qingyuan; Tian, Xiaobao; El-Awady, Jaafar A.
• Is Part Of: Scripta materialia. Number 135(2017)
• Page Start: 37
• Page End: 40
• Publication Date: 2017-07-01
• Subjects: Magnesium -- ⟨c⟩ dislocations -- Molecular dynamics -- Density functional theory; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2017.03.012
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: The core structures and mobility of ⟨c⟩ dislocations in magnesium were predicted using both density functional theory and molecular dynamics simulations. The pure edge and screw cores are compact at 0 K. With increasing temperature up to 700 K, the edge dislocation dissociates into two ⟨c⟩/2 partials on the basal plane, but remains immobile. The screw dislocation remains compact and continuously cross-slips between the three prismatic planes. At room temperature, the screw dislocation only glides after emitting a vacancy at 420 MPa. The Peierls stress of the dislocation after vacancy emission is 50 MPa. Graphical abstract: