Enhanced mechanical properties of Ni3Al composites reinforced with single-walled and multi-walled carbon nanotubes: An atomistic modeling study

Abstract

In this study, the mechanical properties of a Ni3Al matrix composite reinforced with single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) were investigated using atomistic modeling. The analysis focused on the behavior of the composite under uniaxial tensile strain across a range of temperatures (100–900[Formula: see text]K). The results demonstrated that the incorporation of any type of carbon nanotubes (CNTs) significantly enhanced Young’s modulus, yield strength, and tensile strength of the Ni3Al matrix. Notably, the reinforcement with MWCNTs resulted in superior mechanical properties compared to SWCNTs. Additionally, an increase in temperature led to a reduction in Young’s modulus for all composite samples. Among the tested configurations, the composite reinforced with MWCNTs exhibited the highest tensile modulus and yield strength, outperforming both the SWCNT-reinforced composite and the unreinforced Ni3Al crystal. These findings underscore the potential of MWCNTs as effective reinforcements in improving the mechanical performance of Ni3Al-based composites, especially at elevated temperatures.