Two-step relaxation mode analysis with multiple evolution times: Application to a single [n]polycatenane

Satoshi Natori, Hiroshi Takano

研究成果: Article

6 引用 (Scopus)

抄録

A method of two-step relaxation mode analysis (RMA) with multiple evolution times is proposed. In this method, the usual RMA with a single evolution time is first applied to relevant physical quantities. Then, RMA is again applied to a portion of the slowest relaxation modes obtained by the first RMA, where the evolution time for each mode is determined from its relaxation rate. The first step gives a rough estimate of the relaxation modes and rates, while the second step reduces the degrees of freedom and refines the estimate. The effectiveness of the method was demonstrated by its application to a Brownian dynamics simulation of a single [n]polycatenane in the free-draining limit.

元の言語English
記事番号043003
ジャーナルJournal of the Physical Society of Japan
86
発行部数4
DOI
出版物ステータスPublished - 2017 4 15

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estimates
drainage
degrees of freedom
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

これを引用

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