Simulation of deformation in thin polymer films

Abstract

A model of the polymer system for computer simulation of deformation processes is presented. The model is a synthesis of analytical calculations (polymer chain in a tube) and a computer experiment (simulation of the orientational ordering of polar groups by the Monte Carlo method). Thanks to analytical calculations, this model makes it possible to analyse relatively large systems compared to other models. At the same time, the spent CPU time remains constant. The results of a simulation of stretching (stress-strain curves) a thin polymer film for various values of chain stiffness are given. The obtained curves have a characteristic “yield drop”.