Publication Date:
2007
abstract:
By using extensive MD simulations the free-energy landscape of the crystallization process of a single polyethylene chain with N = 500 monomers is determined and the roles of both the potential energy and the entropy in shaping its gross features are discussed.
Iris type:
01.01 Articolo in rivista
Keywords:
DYNAMICS SIMULATIONS; POLYETHYLENE; NUCLEATION
List of contributors: