The Role of Intermolecular Entanglements in the Formation of Nanosized Pores during Deformation of Polyethylene: Atomistic Modeling

The relationship between the local topology of molecular entanglements at the nanosized scale and the mechanical properties at the macroscopic level is one of the open questions in polymer science. In this work, the process of pore formation in amorphous polyethylene during uniaxial stretching is modeled within the framework of the molecular dynamics method. It is considered how a change in the concentration of intermolecular entanglements affects the dynamics of the formation of nanosized pores. The results of the statistical analysis of pore sizes indicate that intermolecular entanglements slow down the processes of their growth and aggregation in the bulk of the polymer.