We have obtained the double-differential incoherent neutron scattering cross section of liquid and solidparahydrogen in various thermodynamic conditions using TOSCA, a time-of-flight, inverse geometry, crystalanalyzer spectrometer, operating at the pulsed neutron source ISIS. The measured cross section provides directexperimental access to the self part of the center-of-mass inelastic structure factor of the parahydrogen moleculesin the system. Data have been corrected for the experimental effects and then analyzed in the frameworkof the Young-Koppel model and the Gaussian approximation. The velocity autocorrelation functions and theirenergy spectra have been obtained from a fitting procedure, making use of the quantum generalized Langevinequation and of model memory functions, and finally compared to the most recent results of both molecularcentroid dynamics and self-consistent quantum mode-coupling theory. Some dynamic quantities were alsorelated to simple equilibrium properties and simulated through a standard path integral Monte Carlo code.Results are very interesting but still urge for further developments of theoretical and dynamic simulationapproaches, as well as for more extensive experimental efforts.

Direct experimental access to microscopic dynamics in liquid hydrogen

Celli M.;Colognesi D.;Zoppi M.
2002

Abstract

We have obtained the double-differential incoherent neutron scattering cross section of liquid and solidparahydrogen in various thermodynamic conditions using TOSCA, a time-of-flight, inverse geometry, crystalanalyzer spectrometer, operating at the pulsed neutron source ISIS. The measured cross section provides directexperimental access to the self part of the center-of-mass inelastic structure factor of the parahydrogen moleculesin the system. Data have been corrected for the experimental effects and then analyzed in the frameworkof the Young-Koppel model and the Gaussian approximation. The velocity autocorrelation functions and theirenergy spectra have been obtained from a fitting procedure, making use of the quantum generalized Langevinequation and of model memory functions, and finally compared to the most recent results of both molecularcentroid dynamics and self-consistent quantum mode-coupling theory. Some dynamic quantities were alsorelated to simple equilibrium properties and simulated through a standard path integral Monte Carlo code.Results are very interesting but still urge for further developments of theoretical and dynamic simulationapproaches, as well as for more extensive experimental efforts.
2002
Istituto di Fisica Applicata - IFAC
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/22425
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