Lu, Hua ORCID: 0000-0002-4392-6562, Zhang, Xiaohong and Titman, J.M. (2000) Neutron quasi-elastic scattering in disordered solids: a Monte Carlo study of metal-hydrogen systems. Journal of Physics: Condensed Matter, 12 (11). pp. 2379-2391. ISSN 0953-8984 (Print), 1361-648X (Online) (doi:https://doi.org/10.1088/0953-8984/12/11/304)

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Abstract

The dynamic structure factor of neutron quasi-elastic scattering has been calculated by Monte Carlo methods for atoms diffusing on a disordered lattice. The disorder includes not only variation in the distances between neighbouring atomic sites but also variation in the hopping rate associated with each site. The presence of the disorder, particularly the hopping rate disorder, causes changes in the time-dependent intermediate scattering function which translate into a significant increase in the intensity in the wings of the quasi-elastic spectrum as compared with the Lorentzian form. The effect is particularly marked at high values of the momentum transfer and at site occupancies of the order of unity. The MC calculations demonstrate how the degree of disorder may be derived from experimental measurements of the quasi-elastic scattering. The model structure factors are compared with the experimental quasi-elastic spectrum of an amorphous metal-hydrogen alloy.

Item Type:	Article
Uncontrolled Keywords:	neutron quasi-elastic scattering, disordered solids, Monte Carlo study, metal-hydrogen systems
Subjects:	Q Science > QC Physics
Pre-2014 Departments:	School of Computing & Mathematical Sciences School of Computing & Mathematical Sciences > Centre for Numerical Modelling & Process Analysis School of Computing & Mathematical Sciences > Centre for Numerical Modelling & Process Analysis > Computational Mechanics & Reliability Group School of Computing & Mathematical Sciences > Department of Mathematical Sciences
Related URLs:	Publisher
Last Modified:	20 Mar 2019 11:54
URI:	http://gala.gre.ac.uk/id/eprint/288

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