Deformation Behavior and Its Effect on the Mechanical Properties of Nanoparticles in Pure Nanoparticle-Modulated System

Nanoparticles (NPs) are widely used in many practical applications. However, their deformation behaviors and the subsequent effects on mechanical properties pure nanoparticle-modulated systems still remain unclear. These research challenges were systematically investigated using coarse-grained molecular dynamics simulations. Firstly, it was observed that both stiffness tensile strength of NPs system greatly influenced by cohesion energy under uniaxial tensile/compressive loads. It also revealed larger between neighboring particles, stronger strength. Secondly, distribution evolution local virial stress component, σxx with varying εp tension compression explored. Finally, effect particle size mode discussed. results have certain reference value for optimal design materials.