Molecular dynamics simulations on size dependent tensile deformation behaviour of 110 oriented body centred cubic iron nanowires
G Sainath and BK Choudhary, MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 640, 98-105 (2015).
Tensile deformation behaviour of < 110 >/111 oriented body centred cubic (BCC) iron nanowires has been examined using molecular dynamics (MD) simulations at 10 K. MD simulations were performed on nanowires with cross section width in the range 1.42-24.27 nm. The results indicated that the deformation behaviour in BCC Fe nanowires is governed by full dislocation slip irrespective of nanowire size. The initiation of plastic deformation occurred by the collective emission of dislocation loops originating from the corner of the nanowires. Following yielding, accumulation of straight screw dislocations with increasing plastic deformation has been observed. Presence of curved slip steps observed in the surface morphology suggested the occurrence of cross slip in large size nanowires. Evidence of cross slip was not noticed in small size nanowires. The variations of Young's modulus, yield strength and flow stress with nanowire size displaying strong size effects in BCC Fe nanowires have been presented. (C) 2015 Elsevier B.V. All rights reserved.
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