Calculations of uniaxial tensile strength of Al–Cu–Ni based metallic glasses using molecular dynamics simulations

Abstract

Molecular dynamics (MD) simulations have been performed to investigate the mechanical properties (MPs) of Al–Cu–Ni based metallic glasses (MGs). The embedded atom method interaction potential has been employed for present MD technique. Due to brittle nature of Cu50Zr50 we studied the effect of Al (2 at%) on the MPs. Moreover, effect of Co and Ni (2 at%) on MPs of two component MGs (NiAl and FeCu respectively) is studied that are generated by melt quenching processes. The structure of samples is changed at melting and glass transition temperatures and the radial distribution function provides the appropriate outcomes for crystalline and glassy states. The mechanical analysis of three MGs has been investigated by employing uniaxial tensile deformation for a wide range of varying stain rates. It has been shown that the MPs of MGs are significantly expanded by the accumulation of Al, Co and Ni concentrations. It is revealed from the MD results that yield strength, Young modulus and ultimate tensile strength increase with an increase of stain rates at constant temperature. The computer software LAAMPS is used in order to investigate these MPs of MGs. In addition, computer software (OVITO) has been used for the visualization of crystalline and glassy states. The numerical outcomes obtained from MD method are found to be in satisfactory agreement with that obtained through the earlier known numerical MD results.