Direct experimental access to microscopic dynamics in liquid hydrogen

被引:31
作者
Celli, M [1 ]
Colognesi, D [1 ]
Zoppi, M [1 ]
机构
[1] CNR, Ist Fis Applicata Nello Carrara, I-50127 Florence, Italy
来源
PHYSICAL REVIEW E | 2002年 / 66卷 / 02期
关键词
D O I
10.1103/PhysRevE.66.021202
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
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.
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页数:14
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