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Macromol. Theory Simul. 5/2011
Author(s) -
Milani Alberto,
Casalegno Mosè,
Castiglioni Chiara,
Raos Guido
Publication year - 2011
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201190010
Subject(s) - recrystallization (geology) , molecular dynamics , cover (algebra) , melting temperature , nanofiber , force field (fiction) , thermal , materials science , statistical physics , chemical physics , polymer science , nanotechnology , thermodynamics , physics , chemistry , computational chemistry , composite material , mechanical engineering , geology , engineering , paleontology , quantum mechanics
Cover: The structural transitions occurring in nylon‐6 nanofibers upon thermal treatment have been investigated by molecular dynamics simulations based on the coarse‐grained MARTINI force field. Starting from chain‐extended configurations, we observe melting and recrystallization into chain‐folded domains, in agreement with experimental evidence. Further details can be found in the article by A. Milani, M. Casalegno, C. Castiglioni, and G. Raos * on page 305 .