Atomistic simulations of activation ability of dislocation source within grain boundary

Tsuru, Tomohito   ; Aoyagi, Yoshiteru*; Shimokawa, Tomotsugu*; Kaji, Yoshiyuki  

Bulk nanostructured metals composed of sub-micron diameter grains have a dramatic increase in the volume fraction located in the grain boundary region. Mechanical properties of the nano-structured metals cannot be predicted based on assumptions of the average quantity of collective motion of dislocations, and therefore it is increasingly necessary to understand the role of each grain and its effect on the plastic deformation. In the present study, a computational modelling based on large scale atomistic simulation is implemented to capture the effect of grain size and macroscopic mechanical properties.