Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5441554 | Journal of Non-Crystalline Solids | 2016 | 6 Pages |
Abstract
The isothermal, isobaric spontaneous crystallization of a supercooled polymer melt is investigated by molecular-dynamics 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
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
A. Giuntoli, S. Bernini, D. Leporini,