Tribological and mechanical characterization of carbon-nanostructures based PEEK nanocomposites under extreme conditions for advanced bearings: A molecular dynamics study

Polyetheretherketone (PEEK) carbon nanomaterial-based nanocomposites, incorporating zero-dimensional (0D), one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D) carbon structures have gained prominence as advanced materials with the potential to enhance tribological properties paving the way for a new era in the development of advanced bearings for high-performance machinery applications. This study delves into the forefront of friction and wear analysis, employing all atom molecular dynamics (aa-MD) simulations to engineer PEEK polymer nanocomposites with precision under elevated temperature and higher velocity. The research presents optimization of mechanical strength and tribological properties crucial to meet the demanding requirements of industrial machinery. The addition of C60 fullerenes reduced COF by 16.59% and wear rates by 6.52% due to its spherical shape and lubrication effects. Introduction of carbon-nanotubes further decreased COF by 54.54% and wear rates by 32.5%, offering resistance to abrasive and adhesive wear. S-graphene showed notable performance, reducing COF by 69.40% and wear rates by 75.03%, making it promising for sliding and wear applications. Carbon-nanocones reduced COF by 60.6% and wear rates by 72.06%, slightly higher than S-Gr due to abrasive effects and increased surface contact. These findings underscore the potential of reinforcement dimensionality in enhancing the tribological properties of PEEK based nanocomposites.