Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2002-06-26
J Chem Phys 118, 3455(2003).
Physics
Condensed Matter
Soft Condensed Matter
AMS-Latex, 4 pages with 5 figures, submitted to Phys. Rev. Lett
Scientific paper
10.1063/1.1553980
We report Monte Carlo simulations of the melting of a single-polymer crystallite. We find that, unlike most atomic and molecular crystals, such crystallites can be heated appreciably above their melting temperature before they transform to the disordered "coil" state. The surface of the superheated crystallite is found to be disordered. The thickness of the disordered layer increases with superheating. However, the order-disorder transition is not gradual but sudden. Free-energy calculations reveal the presence of a large free-energy barrier to melting.
Frenkel Daan
Hu Wenbing
Mathot Vincent B. F.
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