Modeling solution hardening in BCC refractory complex concentrated alloys: NbTiZr, Nb1.5TiZr0.5 and Nb0.5TiZr1.5
作者： S.I. Rao , B. Akdim , E. Antillon , C. Woodward , T.A. Parthasarathy
DOI: 10.1016/J.ACTAMAT.2019.02.013
关键词: Ternary operation 、 Stress (mechanics) 、 Condensed matter physics 、 Dislocation 、 Dipole 、 Core (optical fiber) 、 Materials science 、 Interatomic potential 、 Vacancy defect 、 High entropy alloys
摘要: Large scale, atomistic simulations of the core structure and mobility of ½ [111] screw, edge and mixed dislocations in ternary multicomponent alloys (eg High Entropy alloys), NbTiZr, Nb 1.5 TiZr 0.5 and Nb 0.5 TiZr 1.5, are presented. The core structure of ½ [111] screw dislocations continuously varies from compact to 3-fold with decreasing Nb content. The screw dislocation core structures in NbTiZr and Nb 1.5 TiZr 0.5 are calculated using Embedded Atom Potentials (Johnson-Zhou) and compared with first-principles calculations …
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