Orientation dependent deformation behaviour of BCC iron nanowires
G Sainath and BK Choudhary, COMPUTATIONAL MATERIALS SCIENCE, 111, 406-415 (2016).
Molecular dynamics (MD) simulations were carried out to investigate the effect of orientation on the deformation behaviour of body centered cubic (BCC) iron nanowires. Nanowires with initial orientations of < 100 >, < 110 >, < 111 >, < 112 > and < 102 > were considered in the present study. MD simulation results showed that the deformation mechanisms vary with crystal orientation. Under tensile loading, the nanowires with initial orientations of < 100 >, < 112 > and < 102 > deformed predominantly by twinning mechanism on < 111 >/112 system, whereas < 110 > and < 111 > oriented nanowires deformed by dislocation slip. Further, the nanowires with < 100 > and < 110 > orientations displayed opposite tension-compression asymmetry in deformation mechanisms. Under compressive loading, the nanowire with < 100 > orientation deformed by dislocation slip, while twinning was observed in < 110 > orientation. The orientation dependent deformation behaviour in BCC Fe nanowires has been explained by the twinning-antitwinning asymmetry of 1/6 < 111 > partial dislocations on 112 planes. Finally, a simple model of twin nucleation and growth in BCC Fe nanowires has been presented. (C) 2015 Elsevier B.V. All rights reserved.
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