Abstract

In this publication, molecular dynamics simulations are used to investigate the fracture behavior of single-crystal aluminum. The stress intensity factor is estimated by means of four different methods, the accuracy is assessed for each approach and the fracture toughness is estimated. The proposed methodology is also applied to estimate the fracture toughness for graphene and diamond using published data from other scientific articles. The obtained fracture toughness for the single-crystal aluminum is compared with other nanomaterials that have similar microstructures. Dislocation emission during the fracture simulation of the cracked nano-crystal of aluminum is analyzed to study the fracture behavior. Brittle fracture behavior is the predominant failure mode for the nanomaterials studied in this research.