Heterogeneous chain dynamics in a supercooled polymer melt: Relaxation mode analysis study 123801

Nobuyuki Iwaoka, Hiroshi Takano

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7 Citations (Scopus)

Abstract

The conformational relaxation of a polymer in a supercooled melt consisting of short flexible polymers is studied by molecular dynamics simulations. Relaxation mode analysis (RMA) is used to examine the dynamics of polymers in the melt. To analyze the dynamics around a local minimum of free energy, the simulation time at low temperatures is chosen to be of the same order as the longest relaxation times of polymers, and the simulation is repeated many times to generate an isoconfigurational ensemble. As the temperature is lowered, a slowing down of relaxation and a broadening of the relaxation rate spectrum are observed. Not only the conformation of each polymer fluctuates heterogeneously but also its dynamics deviates from that expected from the Rouse model. These results are direct evidence of dynamic heterogeneity in terms of conformational relaxation.

Original languageEnglish
Article number123801
JournalJournal of the Physical Society of Japan
Volume83
Issue number12
DOIs
Publication statusPublished - 2014 Dec 15

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polymers
simulation
relaxation time
free energy
molecular dynamics
temperature

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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Heterogeneous chain dynamics in a supercooled polymer melt : Relaxation mode analysis study 123801. / Iwaoka, Nobuyuki; Takano, Hiroshi.

In: Journal of the Physical Society of Japan, Vol. 83, No. 12, 123801, 15.12.2014.

Research output: Contribution to journalArticle

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