Abstract
By now significant progress has been achieved in the study of ductility improvement of Ni 3Al alloys. There is, however, a lack of general consensus on the mechanism responsible for the ductilizing effect of boron in Ni 3Al. In this paper, atomistic simulations have been carried out to study the mechanism from the structural aspect, and the focus has been placed on the interaction between the grain boundary (GB) and dislocations. It was found that the absorption and emission of dislocations at the Ni-rich GB under an applied stress are facilitated by the boron segregation, which eases the slip transfer across the GB.
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