Application of electric field to aluminum/copper/aluminum trilayer nanocomposites and determination of mechanical properties: A molecular dynamics approach

Most studies considered metal matrix nanocomposites (NCs) because of their excellent mechanical and electrical properties. In recent years, external electric fields (EEFs) in the aforementioned NCs were identified as a crucial role in modulating mechanical behavior. The EEF may affect strength, hardness, ductility, and fracture toughness. The explanation for these changes is the interaction of EEF with the nanoparticles in the metal matrix. In the present study, the effects of various EEF values on the mechanical properties of Al/Cu/Al three-layer NCs (TLNCs) were assessed using the molecular dynamics (MD) modeling method and LAMMPS software. MD findings predicted that the EEF reduced the physical stability and mechanical strength of modeled samples. Physically, this performance resulted from a decrease in attraction force among distinct particles inside the computing box in the presence of EEF. The proposed samples' ultimate tensile strength (UTS) and Young's modulus (YM) decreased to 2.587 GPa and 20.19 GPa, respectively, when the EEF value increased to 0.05 V/Å. Finally, it was determined that EEF is a crucial parameter in the mechanical development of MMNC structures and should be used in mechanical bacterial design in industrial applications.