The effect of various parameters such as temperature or surface state on the very first stages of plasticity in semiconductor nanowires was investigated by molecular dynamics simulations. In particular, the role of edge and surface reconstructions was analyzed and discussed in detail. To this end, square nanowires with the [001] and [123] axis and various side surfaces were considered. In general, the onset of plasticity appeared from the NW edges at very high stresses. However, when surface reconstructions made surface steps at the intersection of the slip plane and the NW surface, the step could favour dislocation nucleation from surfaces. This study highlighted the role of the detailed geometry of the surfaces and edges on the onset of plasticity in nanostructures.

Deformation of Silicon Nanowires Studied by Molecular Dynamics Simulations. J.Guénolé, J.Godet. S.Brochard: Modelling and Simulation in Materials Science and Engineering, 2011, 19[7], 074003