Slow dynamics in supercooled fluids

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

Research output: Contribution to journalArticle

Abstract

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 dymamics 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 χ(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 χ(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.

Original languageEnglish
Pages (from-to)123-130
Number of pages8
JournalStudies in Physical and Theoretical Chemistry
Volume83
Issue numberC
DOIs
Publication statusPublished - Jan 1 1995
Externally publishedYes

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Molecular dynamics
Fluids
fluids
Computer simulation
Liquids
Glass transition
simulation
Acoustic waves
Boundary conditions
molecular dynamics
magnetic permeability
liquids
mesh
boundary conditions
acoustics
glass
cells

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

Cite this

Slow dynamics in supercooled fluids. / Hiwatari, Y.; Matsui, Jun; Muranaka, T.; Odagaki, T.

In: Studies in Physical and Theoretical Chemistry, Vol. 83, No. C, 01.01.1995, p. 123-130.

Research output: Contribution to journalArticle

Hiwatari, Y. ; Matsui, Jun ; Muranaka, T. ; Odagaki, T. / Slow dynamics in supercooled fluids. In: Studies in Physical and Theoretical Chemistry. 1995 ; Vol. 83, No. C. pp. 123-130.
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