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

H Nagaraj and G Clavier and B Latour and A Dequidt and J Devemy and S Garruchet and F Goujon and N Martzel and R Blaak and E Munch and P Malfreyt, JOURNAL OF CHEMICAL PHYSICS, 154, 234902 (2021).

DOI: 10.1063/5.0050562

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.

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