✦ LIBER ✦
Molecular dynamics simulation of quasi-elastic neutron scattering from the fast ion conductor CuI
✍ Scribed by R.L. McGreevy; J.X.M. Zheng-Johansson; I. Ebbsjö
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 325 KB
- Volume
- 226
- Category
- Article
- ISSN
- 0921-4526
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✦ Synopsis
The total (neutron weighted) dynamical structure factors for y-Cul at 623 K and a-Cul at 834 K have been calculated from molecular dynamics simulations. They have been analysed as if they were experimental data and the results have been compared to real space analysis of the ionic motion in the simulations. We find that a simplistic analysis of reali experimental data could produce misleading conclusions.