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Basal Slip in Laves Phases: the Synchroshear Dislocation

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arxiv 1902.01646 v2 pith:SKLGPKXC submitted 2019-02-05 cond-mat.mtrl-sci

Basal Slip in Laves Phases: the Synchroshear Dislocation

classification cond-mat.mtrl-sci
keywords basallavesphasesslipsynchroshearbeendislocationinitio
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Two different mechanisms have been reported in previous ab initio studies to describe basal slip in complex intermetallic Laves phases: synchroshear and undulating slip. To date, no clear answer has been given on which is the energetically favourable mechanism and whether either of them could effectively propagate as a dislocation. Using classical atomistic simulations supported by ab initio calculations, the present work removes the ambiguity and shows that the two mechanisms are, in fact, identical. Furthermore, we establish synchroshear as the mechanism for propagating dislocations within the basal plane in Laves phases.

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