Molecular dynamics simulation of mechanical properties of Ni–Al nanowires

We employed molecular dynamics simulations to study mechanical properties of Ni–Al nanowires by calculating the stress–strain response of the wires under various loading conditions. For this purpose, nanowires were subjected to uniaxial strain at different strain rates and temperatures using embedded atom model potential. The behaviour of the wires at lower and higher strain rates was investigated, and the yield and rupture strain values and also Young’s Modulus were obtained which are essential factors for the ductility of the wires. This work indicates that how the stress–strain response of the nanowires are affected by varying strain rates and temperatures.