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Motional Coherency in Chain Dynamics of Glass‐Forming Polymers
Author(s) -
Furuya Hidemine,
Takemura Kazuhiro,
Kanaya Toshiji
Publication year - 2007
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.200750426
Subject(s) - relaxation (psychology) , scattering , molecular dynamics , structure factor , amorphous solid , condensed matter physics , position (finance) , correlation function (quantum field theory) , materials science , physics , statistical physics , molecular physics , chemical physics , chemistry , optics , crystallography , quantum mechanics , dielectric , psychology , social psychology , finance , economics
Molecular dynamics (MD) simulations of 1,4‐polybutadiene in bulk amorphous state were performed. To investigate motional coherency the relaxation rates for the collective and self motions, the collective and self relaxation rates, were evaluated for the short and long time regimes of the normalized intermediate scattering functions. The scattering vector dependence of the collective relaxation rates estimated for both fast and slow processes indicated a minimum at scattering vector q = 1.3 Å −1 , corresponding to the position of a peak in the static structure factor. The self relaxation rates increased monotonously with q . A phenomenon known as de Gennes narrowing was reproduced well in the simulation and found to be originated from the inter‐molecular correlation. The details of motional coherency and the distribution functions of relaxation time were evaluated.