Molecular dynamics simulation of mechanical properties of polystyrene nanoparticles under uniaxial compression test

Evolution of free volume elements in amorphous polymers undergoing uniaxial deformation: a molecular dynamics simulations study

“…39,[42][43][44] Atomistic simulations have been carried out primarily on polystyrene and polyethylene; a strong dependence of mechanical response on the molecular weight, temperature, and strain rate are observed. 39,45,46 Bowman et al 47 modeled amorphous polyethylene during creep at, below, and above its glass transition temperatures using all-atom molecular dynamics. They show how nucleation, growth, and coalescence of voids each play distinct roles in initiating the stages of creep: primary creep occurs before nucleation, nucleation promotes secondary creep-related damage, and void growth dominates the tertiary creep stage.…”