English

Dynamical heterogeneity in a highly supercooled liquid: Consistent calculations of correlation length, intensity, and lifetime

Soft Condensed Matter 2012-04-25 v3 Materials Science Statistical Mechanics

Abstract

We have investigated dynamical heterogeneity in a highly supercooled liquid using molecular-dynamics simulations in three dimensions. Dynamical heterogeneity can be characterized by three quantities: correlation length ξ4\xi_4, intensity χ4\chi_4, and lifetime τhetero\tau_{\text{hetero}}. We evaluated all three quantities consistently from a single order parameter. In a previous study (H. Mizuno and R. Yamamoto, Phys. Rev. E {\bf 82}, 030501(R) (2010)), we examined the lifetime τhetero(t)\tau_{\text{hetero}}(t) in two time intervals t=ταt=\tau_\alpha and τngp\tau_{\text{ngp}}, where τα\tau_\alpha is the α\alpha-relaxation time and τngp\tau_{\text{ngp}} is the time at which the non-Gaussian parameter of the Van Hove self-correlation function is maximized. In the present study, in addition to the lifetime τhetero(t)\tau_{\text{hetero}}(t), we evaluated the correlation length ξ4(t)\xi_4(t) and the intensity χ4(t)\chi_4(t) from the same order parameter used for the lifetime τhetero(t)\tau_{\text{hetero}}(t). We found that as the temperature decreases, the lifetime τhetero(t)\tau_{\text{hetero}}(t) grows dramatically, whereas the correlation length ξ4(t)\xi_4(t) and the intensity χ4(t)\chi_4(t) increase slowly compared to τhetero(t)\tau_{\text{hetero}}(t) or plateaus. Furthermore, we investigated the lifetime τhetero(t)\tau_{\text{hetero}}(t) in more detail. We examined the time-interval dependence of the lifetime τhetero(t)\tau_{\text{hetero}}(t) and found that as the time interval tt increases, τhetero(t)\tau_{\text{hetero}}(t) monotonically becomes longer and plateaus at the relaxation time of the two-point density correlation function. At the large time intervals for which τhetero(t)\tau_{\text{hetero}}(t) plateaus, the heterogeneous dynamics migrate in space with a diffusion mechanism, such as the particle density.

Keywords

Cite

@article{arxiv.1009.1733,
  title  = {Dynamical heterogeneity in a highly supercooled liquid: Consistent calculations of correlation length, intensity, and lifetime},
  author = {Hideyuki Mizuno and Ryoichi Yamamoto},
  journal= {arXiv preprint arXiv:1009.1733},
  year   = {2012}
}

Comments

12pages, 13figures, to appear in Physical Review E