Size-dependent torsional deformation of silicon nanowires

XR Zhuo and HG Beom, MATERIALS LETTERS, 213, 48-50 (2018).

DOI: 10.1016/j.matlet.2017.11.011

The effect of size on the torsional deformation of 1 1 0-oriented silicon nanowires is examined via molecular dynamics simulations. The plastic deformation mechanism of silicon nanowires depends on the nanowire diameter. Sub-5.7-nm-diameter silicon nanowires yield by means of a crystal-to-amorphous transition, which nucleates at the outer surface and propagates along the cross-section of the wires. On the other hand, perfect dislocations nucleate at the outer surface of wires whose diameter equals or exceeds 7.7 nm, initiating plastic deformation. These dislocations have a Burgers vector of 1/2 < 110 > and slip along the 1 1 1 planes. These findings may enhance our understanding of plasticity of silicon nanowires. (C) 2017 Elsevier B.V. All rights reserved.

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