“…Recent molecular dynamics (MD) simulations have improved our understanding of the deformation of nanocrystalline materials [13]. The MD simulations in nanocrystalline copper [20][21][22][23], aluminum [11,24], nickel [22,23] and cobalt [25], where an inverse Hall-Petch effect was observed [11,17,20,21,[24][25][26], revealed the difference between the grain interior and the grain boundary regions where most of the deformation occurred due to the inter-grain deformation (sliding) mechanism [20,22,23,27,28]. It was further observed that the volume fraction of the total grain boundaries, which increases with decreasing grain size [29], increases under straining conditions, indicating an expansion of the grain boundary regions during straining [11].…”