Molecular dynamics study of self-diffusion in the core of a screw dislocation in face centered cubic crystals

S Soltani and N Abdolrahim and P Sepehrband, SCRIPTA MATERIALIA, 133, 101-104 (2017).

DOI: 10.1016/j.scriptamat.2017.02.021

Self-diffusion along the screw dislocation core in aluminum, nickel, copper and silver in the absence of any preexisting point defects in the structure is studied using molecular dynamics. Simulation results show that the effect of screw dislocation on enhancing self-diffusion is more remarkable in Al and Ni than in Cu, and no significant enhancement of self-diffusion has been observed in the core regions of Ag. This behavior has been related to higher stacking fault energies and resultant smaller dissociation distance of partial dislocations in Al and Ni, compared to Cu and Ag. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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