Atomistic simulation of < c plus a > screw dislocation cross-slip in Mg

D Buey and M Ghazisaeidi, SCRIPTA MATERIALIA, 117, 51-54 (2016).

DOI: 10.1016/j.scriptamat.2016.02.001

The core structure and glide behavior of a < c + a > screw dislocation in Mg is studied using molecular dynamics simulations at 0 K, 70 K and 300 K. We find that slip on pyramidal II planes is preferred at 300 K. At lower temperatures, the dislocation cross slips between pyramidal II and pyramidal I planes with sufficient applied stress. We find a metastable compact core structure, with an intermediate core energy between those of the dissociated dislocations on pyramidal II and pyramidal I planes. This compact core is observed in the cross slip from pyramidal II to pyramidal I planes at 0 K and 70 K. (C) 2015 Elsevier Ltd. All rights reserved.

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