Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations

J Chem Phys. 2021 Jun 21;154(23):234902. doi: 10.1063/5.0050562.

Abstract

We examine the behavior of short and long polymers by means of coarse-grained computer simulations of a by-polyvinyl alcohol inspired model. In particular, we focus on the structural changes in the monomer and polymer scales during cooling and the application of uni-axial true strain. The straining of long polymers results in the formation of a semi-crystalline system at temperatures well above the crystallization temperature, which allows for the study of strain induced crystallization.