A molecular dynamics study on the mechanical properties of Fe–Ni alloy nanowires and their temperature dependence

the molecular dynamics simulation method. It was found that the local atomic pressure fluctuation of the Fe-Ni alloy nanowire surface became more prominent with an increase in the Ni content. At low temperature conditions (<50 K), the plastic deformation mechanism of the Fe-Ni alloy nanowires switched from the twinning mechanism to the dislocation slip mechanism with the increase in the Ni content from 0.5 at% to 8.0 at%. In the temperature range of 50-800 K, the dislocation slip mechanism dominated the deformation. Simulation results indicated that there was a significant linear relationship between the Ni content, temperature, and ultimate stress in the temperature range of 50-800 K. Our research revealed the association between the deformation mechanism and temperature in Fe-Ni alloy nanowires, which may facilitate new alloy nanowire designs.