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
相关论文
共 83 条
[1]   MULTIPLE SCATTERING OF NEUTRONS IN GASEOUS AND LIQUID METHANE [J].
AGRAWAL, AK .
PHYSICAL REVIEW A, 1971, 4 (04) :1560-&
[2]   STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].
ALDER, BJ ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466
[3]  
Allen M. P., 1987, Computer Simulation of Liquids
[4]  
[Anonymous], NBS MONOGR
[5]  
Balucani U., 1994, DYNAMICS LIQUID STAT
[7]   ALMOST CLASSICAL MANY-BODY SYSTEMS - THE QUANTUM-MECHANICAL CORRECTIONS TO THE MOMENTS OF A GENERAL SPECTRUM [J].
BAROCCHI, F ;
MORALDI, M ;
ZOPPI, M .
PHYSICAL REVIEW A, 1982, 26 (04) :2168-2177
[8]   WIGNER-KIRKWOOD EXPANSION - CALCULATION OF ALMOST CLASSICAL STATIC PROPERTIES OF A LENNARD-JONES MANY-BODY SYSTEM [J].
BAROCCHI, F ;
NEUMANN, M ;
ZOPPI, M .
PHYSICAL REVIEW A, 1987, 36 (05) :2440-2454
[9]   Microscopic collective dynamics in liquid para-H2 [J].
Bermejo, FJ ;
Fåk, B ;
Bennington, SM ;
Fernández-Perea, R ;
Cabrillo, C ;
Dawidowski, J ;
Fernández-Diaz, MT ;
Verkerk, P .
PHYSICAL REVIEW B, 1999, 60 (22) :15154-15162
[10]   Quantum effects on liquid dynamics as evidenced by the presence of well-defined collective excitations in liquid para-hydrogen [J].
Bermejo, FJ ;
Kinugawa, K ;
Cabrillo, C ;
Bennington, SM ;
Fåk, B ;
Fernández-Díaz, MT ;
Verkerk, P ;
Dawidowski, J ;
Fernández-Perea, R .
PHYSICAL REVIEW LETTERS, 2000, 84 (23) :5359-5362