Atomic scale insights into the plasticity of iron-phosphorus alloy

In the present short communication, molecular dynamic simulations were employed to investigate the effect of phosphorus (P) substitutions on the plasticity of pure iron (Fe). For this purpose, nanowires of Fe and Fe-P were strained at room-temperature using various strain rates. No change in the plasticity mechanisms (dislocation or twinning) was observed by the presence of P substitutions, but rather than that, these substitutions reduced the maximum stress at which the plastic deformation was initiated under various conditions