Slow dynamics in supercooled fluids

Y. Hiwatari, J. Matsui, T. Muranaka, T. Odagaki

研究成果: Contribution to journalArticle査読

2 被引用数 (Scopus)

抄録

Molecular dynamics simulation is a useful tool in general to investigate dynamical properties of condensed matters from a microscopic point of view. This is the case for highly supercooled liquids and the liquid-glass transition as well. However, we have to pay special attentions to the length of time as well as the time-mesh size and the system size of the simulations for the study of slow dynamics which governs the relaxation of such particular systems. In this paper, we study the slow dynamics of a highly supercooled fluid by calculating the general susceptibility ξ(q, ω) with both two- and three-dimensional binary soft-sphere models and super-long-time molecular dynamics simulations. It is found that the Cole-Cole analysis clearly distinguishes between the α and β relaxations of supercooled fluid states. A spurious sound-mode peak appearing in ξsn(q, ω) (imaginary part of the general susceptibility) turns out to be located at ω inversely proportional to the length of the simulation cell size and seems to be physically meaningless. This peak may be caused by the periodic boundary conditions used in the present simulation.

本文言語英語
ページ(範囲)123-130
ページ数8
ジャーナルJournal of Molecular Liquids
65-66
C
DOI
出版ステータス出版済み - 11 1995
外部発表はい

All Science Journal Classification (ASJC) codes

  • 電子材料、光学材料、および磁性材料
  • 原子分子物理学および光学
  • 凝縮系物理学
  • 分光学
  • 物理化学および理論化学
  • 材料化学

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