The Journal of Chemical Physics · 2003 · 91 citations · 25 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsPhysical ChemistrySolid State PhysicsMolecular DynamicsRotational StructureIncoherent ScatteringMesoporous MaterialsNeutron Scattering TheoryRelaxation TimesRotational DynamicsRotational RelaxationSupercooled Liquid WaterTranslational Motion
We investigated the translational and rotational dynamics of water molecules in mesoporous silica materials MCM-41-S and MCM-48-S using the incoherent quasielastic neutron scattering technique. The range of wave vector transfers Q covered in the measurements was from 0.27 to 1.93 Å−1 broad enough to detect both the translational and rotational contributions to the scattering. We used the relaxing-cage models for both translational and rotational motions which we developed earlier, to analyze the QENS spectra and investigated water dynamics in a supercooled range from 250 to 280 K. The results show a marked slowing down of both the translational and rotational relaxation times, and an increasing effect of confinement on the translational motion, as the temperature is lowered.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
Slow Dynamics of Water Molecules in Supercooled States
Paola Gallo, Francesco Sciortino, P. Tartaglia et al. · Physical Review Letters · 1996 · 300 citations
Natural Sciences, Chemistry, Physics +14