Study of the effect of varying core diameter, shell thickness and strain velocity on the tensile properties of single crystals of Cu–Ag core–shell nanowire using molecular dynamics simulations

Abstract

Core–shell type nanostructures show exceptional properties due to their unique structure having a central solid core of one type and an outer thin shell of another type which draw immense attention among researchers. In this study, molecular dynamics simulations are carried out on single crystals of copper–silver core–shell nanowires having wire diameter ranging from 9 to 30 nm with varying core diameter, shell thickness, and strain velocity. The tensile properties like yield strength, ultimate tensile strength, and Young’s modulus are studied and correlated by varying one parameter at a time and keeping the other two parameters constant. The results obtained for a fixed wire size and different strain velocities were extrapolated to calculate the tensile properties like yield strength and Young’s modulus at standard strain rate of 1 mm/min. The results show ultra-high tensile properties of copper–silver core–shell nanowires, several times than that of bulk copper and silver. These copper–silver core–shell nanowires can be used as a reinforcing agent in bulk metal matrix for developing ultra-high strength nanocomposites.