ABSTRACT
We report three-dimensional atomistic molecular dynamics studies of grain growth kinetics in nanocrystalline Ni. The results show the grain size increasing linearly with time, contrary to the square root of the time kinetics observed in coarse-grained structures. The average grain boundary energy per unit area decreases simultaneously with the decrease in total grain boundary area associated with grain growth. The average mobility of the boundaries increases as the grain size increases. The results can be explained by a model that considers a size effect in the boundary mobility.
ABSTRACT
Nanocrystalline metals present extremely high yield strengths but limited ductility. Using atomistic simulations, we show that the fracture resistance of bcc nanocrystalline materials increases with decreasing grain size below a critical grain size. There appears to be a "most brittle" grain size corresponding to the "strongest size" that has been postulated. Impurities that strengthen the grain boundaries can improve ductility significantly for the relatively larger grain sizes, whereas ductility decreases for the smallest grain sizes.