Study of the Deformation of an Entangled Polymer Chain using a Molecular Dynamic Program

Abstract

Molecular dynamics simulation is becoming a very powerful tool for studying dynamic phenomena in materials.In this manuscript, a linear model based on acrylamide monomer is considered using Avogadro software, this system was geometrically optimized. To study the deformation of this model, the molecular dynamics program LAMMPS was used. This program has many commands that can be used to modeling and predict many properties especially mechanical properties, in this work, this program is used to modeling the deformation of the linear polyacrylamide