Dimensions of Biological Cellulose Nanocrystals Maximize Fracture Strength.

Cellulose nanocrystals (CNCs) exhibit outstanding mechanical properties exceeding that of Kevlar, serving as reinforcing domains in nature's toughest biological nanocomposites such as wood. To establish a molecular-level understanding of how CNCs develop high resistance to failure, here we present new analyses based on atomistic simulations on the fracture energy of Iβ CNCs. We show that the fracture energy depends on the crystal width, due to edge defects that significantly reduce the fracture energy of small crystals but have a negligible effect beyond a critical width.