Atomistic Simulations of Cu–Ag Bicrystal for a Uniaxial Tensile Test

Abstract

Abstract: The Cu–Ag bicrystal has great applications in manufacturing electrical and electronic components. In this study, we use LAMMPS to simulate the uniaxial tensile test of the Cu–Ag bicrystal and investigate the effects of the deformation mechanism under different strain rates and temperatures. The interatomic potential for the system was described using the modified embedded atom method (MEAM). The simulation was conducted while periodic boundary conditions were kept in all three directions to create the uniaxial tension. The stress-strain curve was plotted for the Cu–Ag bicrystal for different temperatures and strain rates. It was found that temperature and strain rate greatly influence the mechanical behavior of the nanocomposite. With an increase in strain rate, the yield stress of the system increases, and with an increase in temperature, the yield stress of the system decreases. The study provides insights into the mechanical behavior of Cu–Ag bicrystal and could aid in developing new materials with improved mechanical properties. © Pleiades Publishing, Ltd. 2024.