Interaction between Dissolved Vanadium Atom and (001) Dislocation in Iron

The interaction of dissolved vanadium atom and (001) dislocation in iron was studied by a modified analytic embedded-atomic method(MAEAM).The structure of (001) dislocation in iron and doping vanadium atoms near the dislocation core were relaxed by molecular dynamics method(MD).The site energy of vanadium atom and system energy of dislocation with doping vanadium atom were calculated.The results showed,that the site energy of vanadium atom is high at the dislocation core and it decreases with the distance between the vanadium atom and dislocation.The interaction energy is the highest when doping vanadium atom is at the core in the compression side and it decreases with the distance between vanadium atom and dislocation.The interaction energy is the lowest when doping vanadium atom is at the core in the extension side and it increases with the distance between the vanadium and dislocation.The structure is most stable when the iron atom at the core in the extension side is replaced by vanadium atom.