Density functional theory study on stacking faults and twinning in Ni nanofilms

Abstract

The energies of stacking and twinning faults in nanofilms of Ni with 7, 13 and 19-layers of (1 1 1) planes were determined using first-principles density functional theory total energy calculations. The ratios of energy barriers relevant to nucleation of dislocations and twinning as obtained from the generalized planar fault energy curves suggest an enhanced tendency for extended partial dislocation formation and twinning in the nano-thin films vis-à-vis the bulk.