Effect of Interatomic Potential on Simulation of Fracture Behavior of Cu/Graphene Composite: A Molecular Dynamics Study

Interatomic interaction potentials are compared using a molecular dynamics modeling method to choose the simplest, but most effective, model describe of copper nanoparticles and graphene flakes. Three considered: (1) bond-order potential; (2) hybrid embedded-atom-method Morse (3) potential. The is investigated for crumpled filled with determine possibility obtaining composite mechanical properties this material. It observed that not all can be applied graphene–copper in such system. potential takes into account various characteristics bond (for example, angle rotation lengths); its application increases simulation time results strong interconnection between metal nanoparticle flake. embedded-atom-method/Morse show different lower bonding copper. All enable structure obtained; however, resulting properties, as strength, different.