Analysis on Dissociation of Pyramidal I Dislocation in Magnesium by Generalized-Stacking-Fault Energy

doi:10.1007/s40195-015-0271-3

Abstract

Abstract:

The generalized-stacking-fault energies are calculated to illustrate the dissociation of 〈c + a〉 dislocation on pyramidal I plane in magnesium. The γ surfaces of plane and its adjacent planes and are presented using Liu embedded-atom-method potential method, and one possible dissociation path of dislocation on plane with minimum energy is predicted. Meanwhile, another two reasonable dissociation paths of dislocation successively on and planes are also proposed. Moreover, based on molecular dynamics simulations of magnesium single crystals under c-axis compression, the possible slip path is further examined and discussed.

Key words: Generalized-stacking-fault energies (GSFEs), Molecular dynamics (MD), 〈c + a〉slip, Dissociation, Magnesium

Qun Zu, Ya-Fang Guo, Xiao-Zhi Tang. Analysis on Dissociation of Pyramidal I Dislocation in Magnesium by Generalized-Stacking-Fault Energy[J]. Acta Metallurgica Sinica (English Letters), 2015, 28(7): 876-882.

Figures/Tables 5

Fig. 1 Lattice structure of magnesium single crystal: a a pyramidal I (π1) plane is marked by light green; b two adjacent slip planes of π1: plane indicated by light red with , and plane indicated by light blue with ; c atoms configuration of π1 super-planes and possible slip vectors

Fig. 2 The schematic of GSF structure

Fig. 3 The projection of γ surfaces obtained using Liu EAM potential: a γ surface of plane. The straight slip path and the minimum energy path are marked by black solid and dash lines, respectively; b, c γ surfaces of and planes. The minimum energy paths along different slip planes and directions are marked by red and purple lines, respectively

Fig. 4 The graph of GSFEs along possible paths of 〈c + a〉 slips

Fig. 5 Atomistic configuration of magnesium single crystal under c-axis compression at different time steps: a AtomEye visualization (identified by CNA); b AtomEye visualization (identified by coordinates); c slip vectors of the three steps

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