The stress characteristics of metal nanowires: an atomistic simulation study

In this paper, we have used molecular statics calculations with the quantum corrected Sutten-Chen type many-body force field to study the stress distribution characteristic of nickel nanowires with [100], [110] and [111] crystallographic orientations in equilibrium state. The simulated results show that tensile stress on the surface of the nanowires causes them to contract along the length. It can be seen that the stress is tensile in surface region while compressive in core region. With the increasing of diameter, the average stress in core region is compressive and strongly decreased to approach to zero, while the surface tensile stress first increases, and then tends to a non-zero constant. The contraction ratio of length, and average stress in core and surface are always largest for [100] nanowire and smallest for [111] nanowire.