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Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility

凝聚态物理 2009-10-28 v1

摘要

We have performed a molecular dynamics computer simulation of a supercooled binary Lennard-Jones system in order to compare the dynamical behavior of this system with the predictions of the idealized version of mode-coupling theory (MCT). By scaling the time tt by the temperature dependent α\alpha-relaxation time τ(T)\tau(T), we find that in the α\alpha-relaxation regime F(q,t)F(q,t) and Fs(q,t)F_s(q,t), the coherent and incoherent intermediate scattering functions, for different temperatures each follows a qq-dependent master curve as a function of scaled time. We show that during the early part of the α\alpha-relaxation, which is equivalent to the late part of the β\beta-relaxation, these master curves are well approximated by the master curve predicted by MCT for the β\beta-relaxation. This part is also fitted well by a power-law, the so-called von Schweidler law. We show that the effective exponent bb' of this power-law depends on the wave vector qq if qq is varied over a large range. The early part of the β\beta-relaxation regime does not show the critical decay predicted by MCT. The qq-dependence of the nonergodicity parameter for Fs(q,t)F_{s}(q,t) and F(q,t)F(q,t) are in qualitative agreement with MCT. On the time scale of the late α\alpha-relaxation the correlation functions show a Kohlrausch-Williams-Watt behavior (KWW). The KWW exponent β\beta is significantly different from the effective von Schweidler exponent bb'. At low temperatures the α\alpha-relaxation time τ(T)\tau(T) shows a power-law behavior with a critical temperature that is the same as the one found previously for the diffusion constant [Phys. Rev. Lett. {\bf 73}, 1376 (1994)]. The critical exponent of this power-law and the von Schweidler exponent bb' fulfill the connection proposed by MCT between these two quantities. We also show that the

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引用

@article{arxiv.cond-mat/9505118,
  title  = {Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility},
  author = {Walter Kob and Hans C. Andersen},
  journal= {arXiv preprint arXiv:cond-mat/9505118},
  year   = {2009}
}

备注

28 Pages of REVTEX, Figures available from W. Kob