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The embedded atom type potentials and static relaxation method combined with a steepest decentcomputational technique have been used to simulate the interaction between the grain boundary(GB) and dislocations in Ni_3Al alloys.The focus has been placed on the energy feature of theinteraction,the distortion of GB structural units,and the dislocation core structure near the GB.Im-plication has also been made on the results for the understanding of the mechanism responsible forB-enhanced ductility.
The embedded atom type potentials and static relaxation method combined with a steepest decentcomputational technique have been used to simulate the interaction between the grain boundary (GB) and dislocations in Ni_3Al alloys. The focus has been placed on the energy feature of theinteraction, the distortion of GB structural units, and the dislocation core structure near the GB. Im-plication has also been made on the results for the understanding of the mechanism responsible for B-enhanced ductility.