Molecular Dynamics Study of Relaxation Modes of a Single Polymer Chain

Hidetomo Hirao, Sachiko Koseki, Hiroshi Takano

研究成果: Article査読

32 被引用数 (Scopus)

抄録

Relaxation modes and rates of a single polymer chain with the excluded volume interaction is studied by molecular dynamics simulations. The variational method for the estimation of the relaxation modes and rates proposed by Takano and Miyashita [J. Phys. Soc. Jpn. 64 (1995) 3688] is generalized to cases where the detailed balance condition is not satisfied and applied to the results of the present simulations. The relaxation modes and rates estimated by the generalized method describe the behaviors of the autocorrelation functions of relative velocities and relative positions of the segments well. For a polymer chain with N segments, the behavior of the pth slowest relaxation rate λp with p/N ≪ 1 is consistent with the theoretical prediction λp ∝ (p/N)2v+1, where v is the exponent for the size of a polymer chain in good solvent.

本文言語English
ページ(範囲)3399-3405
ページ数7
ジャーナルJournal of the Physical Society of Japan
66
11
DOI
出版ステータスPublished - 1997 11
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

フィンガープリント

「Molecular Dynamics Study of Relaxation Modes of a Single Polymer Chain」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル