Authors
Michael Fosmire, Aurel Bulgac
Publication date
1995/12/15
Journal
Physical Review B
Volume
52
Issue
24
Pages
17509
Publisher
American Physical Society
Description
We present results of isothermal molecular-dynamics simulations for sodium clusters of size N= 8, 20, 100. Generalized pair correlation functions and static and dynamic structure factors are calculated for temperatures in the range 100–400 K. Na 20 and Na 100 appear to undergo a melting transition, which is observable in both static and dynamic structure factors. Because of its small size, Na 8 shows no dramatic change in its properties with temperature. We conclude that x-ray and thermal neutron scattering in particular can be used as valuable sources of information on the ionic dynamics and structure of sodium clusters.
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