Spectral Signatures of the Diffusional Anomaly in Water
Anirban Mudi, Charusita Chakravarty, Ramakrishna Ramaswamy
Abstract
Analysis of power spectrum profiles for various tagged particle quantities in bulk SPC/E water is used to demonstrate that variations in mobility associated with the diffusional anomaly are mirrored in the exponent of the \ region. Monitoring of behaviour is shown to be a simple and direct method for linking phenomena on three distinctive length and time scales: the local molecular environment, hydrogen bond network reorganisations and the diffusivity. The results indicate that experimental studies of supercooled water to probe the density dependence of 1/fα spectral features, or equivalent stretched exponential behaviour in time-correlation functions, will be of interest.
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