Study of the Correlated Molecular Dynamics in D2O using Inelastic Neutron Scattering
ORAL
Abstract
We report the real-space correlated molecular dynamics in heavy water (D2O). Dynamic structure factor, S(Q, E), obtained from high-resolution inelastic neutron scattering data over large Q (momentum transfer) and E (energy transfer) is double-Fourier transformed to obtain the Van Hove function, which is a time-dependent pair-correlation function. A two-step relaxation is observed in the intermolecular dynamics of D2O. Its relaxation time and amplitude depends on the temperature. By comparing the results with classical MD simulations of D2O and inelastic x-ray scattering measurements of H2O[1][2], correlated dynamics of water molecules in ps time-scale is discussed.
References
1. T. Iwashita et al, Science Advances 3, e1603079 (2017).
2. Y. Shinohara et al, Phys. Rev. E 98, 022604 (2018).
References
1. T. Iwashita et al, Science Advances 3, e1603079 (2017).
2. Y. Shinohara et al, Phys. Rev. E 98, 022604 (2018).
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Presenters
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Yadu Krishnan Sarathchandran
University of Tennessee
Authors
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Yadu Krishnan Sarathchandran
University of Tennessee
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Yuya Shinohara
University of Tennessee, Knoxville, University of Tennessee/Oak Ridge National Laboratory
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Wojciech Dmowski
University of Tennessee, Knoxville, University of Tennessee/Oak Ridge National Laboratory
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Douglas L Abernathy
Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge National Laboratory, Neutron Scattering Division, Oak Ridge National Laboratory, Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6475, USA
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Takeshi Egami
University of Tennessee, Knoxville, University of Tennessee/Oak Ridge National Laboratory