Surface effects in the crystallization process of elastic flexible polymers

Details Surface effects in the crystallization process of elastic flexible polymers Surface effects in the crystallization process of elastic flexible polymers

2010-02-10

arxiv.org/abs/1002.2118v1

Chem. Phys. Lett. 476 (2009) 201

Physics

Condensed Matter

Soft Condensed Matter

Scientific paper

10.1016/j.cplett.2009.05.052

Investigating thermodynamic properties of liquid-solid transitions of flexible homopolymers with elastic bonds by means of multicanonical Monte Carlo simulations, we find crystalline conformations that resemble ground-state structures of Lennard-Jones clusters. This allows us to set up a structural classification scheme for finite-length flexible polymers and their freezing mechanism in analogy to atomic cluster formation. Crystals of polymers with "magic length" turn out to be perfectly icosahedral.

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