Separation of diffusive jump motion and trapped motion of atoms in a glass forming process via molecular dynamics simulation

J. Matsui, M. Fujisaki, T. Odagaki

Research output: Contribution to journalConference article

Abstract

We have carried out the molecular dynamics (MD) simulation for a binary soft-sphere system and calculated the self part of the generalized susceptibility χs(q, ω) at various temperatures. At higher temperatures in liquid state, only one peak appears in the imaginary part of χs, which tends to split into two peaks, the so-called α- and β- peaks, as the temperature is reduced. The temperature dependence of the peak frequency is well described by the Vogel-Fulcher law for the α- peak, and the peak frequency does not change much for the β- peak. We have also measured the trajectory volume of a tagged atom V(t), which is related to the dynamical order parameter, the 'generalized capacity', in structural glass transitions recently proposed by J. F. Douglas. These results show the transition temperature which is in good agreement with that determined by the trapping diffusion model.

Original languageEnglish
Pages (from-to)285-291
Number of pages7
JournalMaterials Research Society Symposium - Proceedings
Volume455
Publication statusPublished - Jan 1 1997
EventProceedings of the 1996 MRS Fall Meeting - Boston, MA, USA
Duration: Dec 2 1996Dec 6 1996

Fingerprint

Molecular dynamics
glass
Glass
Atoms
Computer simulation
simulation
temperature
Temperature
Superconducting transition temperature
trapping
Glass transition
trajectory
Trajectories
Liquids

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Separation of diffusive jump motion and trapped motion of atoms in a glass forming process via molecular dynamics simulation. / Matsui, J.; Fujisaki, M.; Odagaki, T.

In: Materials Research Society Symposium - Proceedings, Vol. 455, 01.01.1997, p. 285-291.

Research output: Contribution to journalConference article

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