Atomistic simulations of dislocations in bcc high-entropy alloys
Final Report Abstract
In summary, we have developed quaternary parameterization of the MoWNbTa high entropy alloy and its subsystems by means of upscaling of recently developed unary parameterizations. We have applied it to the study of screw and edge dislocation and their possible implications for the plastic deformation of MoWNbTa. By using large scale atomistic simulations we studied core structure and Peierls stress of both dislocation. Value of the Peierls stress for the screw dislocation was found to be an average of values for individual elements while for the edge dislocation we obtained the value that is about three to four times higher than for elements. This suggests that the edge dislocations might play an important role in process of the plastic deformation of MoWNbTa.
