Generalized stacking fault energy in body centered cubic iron

The energies of the generalized stacking faults in bcc iron are systematically evaluated by the molecular mechanics method with the Finnis-Sinclair potential as functions of two-dimensional relative displacement of one side of the two half- crystals in the directions parallel to the fault planes, where the {110} plane and the planes generated by rotation of the {110} plane about the � 111� , � 110� and � 001� axes are taken into account. The maximum value of the fault energies for the {110} plane is remarkably small compared with those for the other planes. The maximum energy on the fault energy line for the {110}� 111� slip system is the smallest among those on all minimum energy paths between two nearest equivalent points corresponding to perfect crystal on the fault energy surfaces for the currently analyzed planes. There is not inverse correlation between the maximum energy on the fault energy line for the specified slip system and the interplanar spacing of the considered slip system, although inverse correlation between the fault energy averaged on the crystallographic plane and its interplanar spacing can be observed.