Atomistic modelling of functionally graded Cu-Ni alloy and its implication on the mechanical properties of nanowires

Functionally graded materials (FGM) eliminate the stress singularity in interface between two different and therefore have a wide range of applications high temperature environments such as engines, nuclear reactors, spacecrafts etc. Therefore, it is essential to study mechanical properties FGM materials. This paper aims at establishing method for modelling FGMs molecular dynamics (MD) get better insight their properties. In this study, characteristics Cu-Ni nanowires (NW) under uniaxial loading been investigated using proposed through MD simulations. order describe inter-atomic forces hence predict properly, EAM (Embedded atom model) potential has used. The nanowire composed an alloying constituent core other functionally along outward radial direction. Simple Linear Exponential functions considered which defines grading pattern. percentage on surface varied from 0% 50% both Cu-cored Ni-cored nanowires. All simulations carried out 300 K. L/D ratios are 10.56 10.67 NWs, respectively. suggests that Ultimate Tensile Stress Young's modulus increase with increasing Ni NWs. However, NWs these values decrease Cu percentage. Also, same NW, higher linearly than exponentially FGMs. While shows UTS E those FGM. Thus, percentages can be used parameters modulating