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Separation of Diffusive Jump Motion and Trapped Motion of Atoms in a Glass Forming Process Via Molecular Dynamics Simulation

Published online by Cambridge University Press:  10 February 2011

J. Matsui ,
M. Fujisaki  and
T. Odagaki
J. Matsui
Affiliation:
Department of Physics, Kyushu University, Fukuoka 812–81, Japan
M. Fujisaki
Affiliation:
Department of Physics, Kyushu University, Fukuoka 812–81, Japan
T. Odagaki
Affiliation:
Department of Physics, Kyushu University, Fukuoka 812–81, Japan
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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 Xa, 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 α- 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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 455: Symposium T – Glasses and Glass Formers–Current Issues , 1996 , 285
Copyright
Copyright © Materials Research Society 1997

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References

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