期刊
CHEMICAL PHYSICS LETTERS
卷 476, 期 4-6, 页码 201-204出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2009.05.052
关键词
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资金
- DFG [JA 483/24-1/2]
- DFH-UFA PhD College [CDFA-02-07]
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. (C) 2009 Elsevier B.V. All rights reserved.
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