Direct experimental access to microscopic dynamics in liquid hydrogen

M. Celli, D. Colognesi, and M. Zoppi
Phys. Rev. E 66, 021202 – Published 12 August 2002
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Abstract

We have obtained the double-differential incoherent neutron scattering cross section of liquid and solid parahydrogen in various thermodynamic conditions using TOSCA, a time-of-flight, inverse geometry, crystal analyzer spectrometer, operating at the pulsed neutron source ISIS. The measured cross section provides direct experimental access to the self part of the center-of-mass inelastic structure factor of the parahydrogen molecules in the system. Data have been corrected for the experimental effects and then analyzed in the framework of the Young-Koppel model and the Gaussian approximation. The velocity autocorrelation functions and their energy spectra have been obtained from a fitting procedure, making use of the quantum generalized Langevin equation and of model memory functions, and finally compared to the most recent results of both molecular centroid dynamics and self-consistent quantum mode-coupling theory. Some dynamic quantities were also related 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 simulation approaches, as well as for more extensive experimental efforts.

  • Received 12 March 2002

DOI:https://doi.org/10.1103/PhysRevE.66.021202

©2002 American Physical Society

Authors & Affiliations

M. Celli, D. Colognesi, and M. Zoppi

  • Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata “Nello Carrara,” Via Panciatichi 56/30, 50127 Firenze, Italy

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Vol. 66, Iss. 2 — August 2002

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