Habasaki J, Ngai K L, Hiwatari Y
Tokyo Institute of Technology, Nagatsuta 4259, Yokohama 226-8502, Japan.
J Chem Phys. 2005 Feb 1;122(5):54507. doi: 10.1063/1.1824034.
We present several characteristics of ionic motion in glassy ionic conductors brought out by time series analysis of molecular dynamics (MD) simulation data. Time series analysis of data obtained by MD simulation can provide crucial information to describe, understand and predict the dynamics in many systems. The data have been treated by the singular spectrum analysis (SSA), which is a method to extract information from noisy short time series and thus provide insight into the unknown or partially unknown dynamics of the underlying system that generated the time series. Phase-space plot reconstructed using the principal components of SSA exhibited complex but clear structures, suggesting the deterministic nature of the dynamics.
