Deformation of FCC nanowires by twinning and slip

We present atomistic simulations of the tensile and compressive loading of single crystal facecentered cubic (FCC) nanowires with h1 0 0i and h1 1 0i orientations to study the propensity of the nanowires to deform via twinning or slip. By studying the deformation characteristics of three FCC materials with disparate stacking fault energies (gold, copper and nickel), we find that the deformation mechanisms in the nanowires are a function of the intrinsic material properties, applied stress state, axial crystallographic orientation and exposed transverse surfaces. The key finding of this work is the first order effect that side surface orientation has on the operant mode of inelastic deformation in both h1 0 0i and h1 1 0i nanowires. Comparisons to expected deformation modes, as calculated using crystallographic Schmid factors for tension and compression, are provided to illustrate how transverse surface orientations can directly alter the deformation mechanisms in materials with nanometer scale dimensions. r 2006 Elsevier Ltd. All rights reserved.