Revisiting the modeling of quasielastic neutron scattering from bulk water

Quasi-elastic neutron scattering (QENS) from bulk-water at 300 K, measured on the IRIS backscattering spectrometer (ISIS, UK), is interpreted using jump diffusion model (JDM), a “minimalistic” multi-timescale relaxation (MRM) and molecular dynamics simulations (MD). In case of MRM data analysis performed in time domain, where intermediate function described by stretched Mittag-Leffler function, E α (−(| t |/ τ ) ). This displays an asymptotic power law decay contains exponential as special ( = 1). To further compare two approaches, MD bulk water were SPCE force field resulting trajectories analysed nMoldyn software. We show that both JDM accurately describe observed QENS all length scales, confirm do not fully quantum effects diffusion.