Harmonic Dynamics in Supercooled Liquids: The Case of Water

摘要: We present an analysis of the molecular motion in supercooled liquid states, based on topology configurational phase space and using instantaneous normal mode technique. aim at characterizing harmonicity dynamics evaluating its role short-time dynamics. For water, we find that modes with frequency higher than $40{\mathrm{cm}}^{\ensuremath{-}1}$ have a very strong harmonic character control, low- $T$ regime, fast process exploration around local minima. The decay correlation functions for time shorter 1 ps is attributed mainly to dephasing (as opposed relaxation) process.