Deformation of Top‐Down and Bottom‐Up Silver Nanowires

Abstract Atomistic simulations are employed to probe the deformation behavior of experimentally observed top‐down and bottom‐up face‐centered cubic silver nanowires. Stable, oriented nanowires with a rhombic and truncated‐rhombic cross section are considered, representative of top‐down geometries, as well as the multiply twinned pentagonal nanowire that is commonly fabricated in a bottom‐up approach. The tensile deformation of a stable, experimentally observed structure is simulated to failure for each nanowire structure. A detailed, mechanistic explanation of the initial defect nucleation is provided for each nanowire. The three geometries are shown to exhibit different levels of strength and to deform by a range of mechanisms depending on the nanowire structure. In particular, the deformation behavior of top‐down and bottom‐up nanowires is shown to be fundamentally different. The yield strength of nanowires ranging from 1 to 25 nm in diameter is provided and reveals that in addition to cross‐sectional diameter, the strength of the nanowires is strongly tied to the structure. This study demonstrates that nanowire structure and size may be tailored for specific mechanical requirements in nanometer‐scale devices.