Chain-Level Analysis of Reinforced Polyethylene through Stretch-Induced Crystallization.

ABSTRACT: Herein, we propose a large-scale simulation approach to perform the stretch-induced crystallization of entangled polyethylene (PE) melts. Sufficiently long (1000 ns) united-atom molecular dynamics (UAMD) simulations for 16000 chains of 1000 consecutive CH₂ united-atom particles under periodic boundary conditions were performed to achieve the crystallinity observed in experiments. Before the isothermal crystallization process, we applied uniaxial stretching as pre-elongation to the embedded strain memory on the entangled PE melts. We confirmed significant differences in the morphologies of crystal domains and scattering patterns for pre-elongation ratios of 400% and 800%. The obtained scattering patterns were consistent with the experimental results. Uniaxial stretching MD simula

SUBMITTER: Hagita K 

PROVIDER: S-EPMC10883302 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature