Bond disorder, frustration and polymorphism in the spontaneous crystallization of a polymer melt
Soft Condensed Matter
2018-11-19 v1
Abstract
The isothermal, isobaric spontaneous crystallization of a supercooled polymer melt is investigated by MD simulation of an ensemble of fully-flexible linear chains. Frustration is introduced via two incommensurate length scales set by the bond length and the position of the minimum of the non-bonding potential. Marked polymorphism with considerable bond disorder, distortions of both the local packing and the global monomer arrangements is observed. The analyses in terms of: i) orientational order parameters characterizing the global and the local order and ii) the angular distribution of the next-nearest neighbors of a monomer reach the conclusion that the polymorphs are arranged in distorted Bcc-like lattices.
Keywords
Cite
@article{arxiv.1811.06973,
title = {Bond disorder, frustration and polymorphism in the spontaneous crystallization of a polymer melt},
author = {Andrea Giuntoli and Sebastiano Bernini and Dino Leporini},
journal= {arXiv preprint arXiv:1811.06973},
year = {2018}
}