TY - JOUR
T1 - Conformational fluctuations of polymers in a melt associated with glass transition
AU - Iwaoka, Nobuyuki
AU - Takano, Hiroshi
N1 - Funding Information:
All molecular dynamics simulations in the present report were performed by using the LAMMPS package.11) The computations were partially performed at the Research Center for Computational Science, Okazaki, Japan. This work was partially supported by a Grant-in-Aid for Scientific Research (C) (No. 24540441) from the Japan Society for the Promotion of Science.
Publisher Copyright:
©2017 The Physical Society of Japan.
Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 2017
Y1 - 2017
N2 - The conformational fluctuations of a glassy short polymer melt are studied by coarse-grained molecular dynamics simulations and principal component analysis (PCA). The distribution of PCA eigenvalues, which measure static fluctuations of the polymers, shows a clear difference between above and below the conventional glass transition temperature Tg. The approximate conformational entropy of the polymers also indicates a transition near Tg. This is evidence that the static properties of polymers in the melt signal the glass transition.
AB - The conformational fluctuations of a glassy short polymer melt are studied by coarse-grained molecular dynamics simulations and principal component analysis (PCA). The distribution of PCA eigenvalues, which measure static fluctuations of the polymers, shows a clear difference between above and below the conventional glass transition temperature Tg. The approximate conformational entropy of the polymers also indicates a transition near Tg. This is evidence that the static properties of polymers in the melt signal the glass transition.
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U2 - 10.7566/JPSJ.86.035002
DO - 10.7566/JPSJ.86.035002
M3 - Article
AN - SCOPUS:85014717237
VL - 86
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
SN - 0031-9015
IS - 3
M1 - 035002
ER -