Mechanical Behavior of NixCr Alloys with Ti3SiC2 Nanoparticle Inclusions Using Molecular Dynamics

Abstract

Nickel-chromium alloys are a potential replacement for solid lubricants due to their high chemical and thermal stability, and Ti₃SiC₂ nanoparticle inclusions are considered to improve wear rates. Molecular dynamics (MD) simulations are utilized to assess the mechanical behavior of Ni_xCr (x = 1, 2, 3, 4) with and without Ti₃SiC₂ inclusions of radii 13, 20, and 27 Å. MD uniaxial tension and shear strain tests are conducted with several interatomic potentials to describe the interactions. Young’s and shear modulus are calculated from stress-strain data at various strain rates and total strain. The sensitivity of the elastic modulus on the Lennard-Jones ε and σ parameters is determined. The dislocation dynamics of Ni, Ni₂Cr, Ni₄Cr, with and without the inclusions, were assessed during shear straining. This study characterizes mechanical behavior of Ni_xCr (x = 1, 2, 3, 4) with Ti₃SiC₂ inclusions to support future experimental investigations to assess feasibility for solid lubrication.