Temperature-dependent dynamic structure factors for liquid water inferred from inelastic neutron scattering measurements
- Noguere, G.
- Scotta, J. P.
- Xu, S.
- Farhi, E.
- Ollivier, J.
- Calzavarra, Y.
- Rols, S.
- Koza, M.
- Marquez Damian, Jose Ignacio
DOIAbstract
Temperature-dependent dynamic structure factors S(Q, ω) for liquid water have been calculated using a composite model, which is based on the decoupling approximation of the mean square displacement of the water molecules into diffusion and solid-like vibrational parts. The solid-like vibrational part Svib(Q, ω) is calculated with the phonon expansion method established in the framework of the incoherent Gaussian approximation. The diffusion part Sdiff(Q, ω) relies on the Egelstaff-Schofield translational diffusion model corrected for jump diffusions and rotational diffusions with the Singwi-Sjölander random model and Sears expansion, respectively. Systematics of the model parameters as a function of temperature were deduced from quasi-elast...
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