Effect of Orientation on Deformation Behavior of Fe Nanowires: A Molecular Dynamics Study
G Sainath and VS Srinivasan and BK Choudhary and MD Mathew and T Jayakumar, SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B, 1591, 1182-1184 (2014).
Molecular dynamics simulations have been carried out to study the effect of crystal orientation on tensile deformation behaviour of single crystal BCC Fe nanowires at 10 K. Two nanowires with an initial orientation of < 100 >/100and < 110 >/111have been chosen for this study. The simulation results show that the deformation mechanisms varied with crystal orientation. The nanowire with an initial orientation of < 100 >/100 deforms predominantly by twinning mechanism, whereas the nanowire oriented in < 110 >/111, deforms by dislocation plasticity. In addition, the single crystal oriented in < 110 >/111 shows higher strength and elastic modulus than < 100 >/100 oriented nanowire.
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