Separation of Diffusive Jump Motion and Trapped Motion of Atoms in a Glass Forming Process Via Molecular Dynamics Simulation
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<jats:title>ABSTRACT</jats:title><jats:p>We have carried out the molecular dynamics (MD) simulation for a binary soft-sphere system and calculated the self part of the generalized susceptibility χ<jats:sub>s</jats:sub>(<jats:italic>q, ω</jats:italic>) 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.</jats:p>
収録刊行物
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- MRS Proceedings
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MRS Proceedings 455 1996-01-01
Springer Science and Business Media LLC